diff --git a/cmake/Modules/Documentation.cmake b/cmake/Modules/Documentation.cmake
index 99f570820a..feff66a9b2 100644
--- a/cmake/Modules/Documentation.cmake
+++ b/cmake/Modules/Documentation.cmake
@@ -9,9 +9,7 @@ if(BUILD_DOC)
 
   set(VIRTUALENV ${PYTHON_EXECUTABLE} -m virtualenv)
 
-  file(GLOB DOC_SOURCES ${LAMMPS_DOC_DIR}/src/[^.]*.txt)
-  file(GLOB PDF_EXTRA_SOURCES ${LAMMPS_DOC_DIR}/src/lammps_commands*.txt ${LAMMPS_DOC_DIR}/src/lammps_support.txt ${LAMMPS_DOC_DIR}/src/lammps_tutorials.txt)
-  list(REMOVE_ITEM DOC_SOURCES ${PDF_EXTRA_SOURCES})
+  file(GLOB DOC_SOURCES ${LAMMPS_DOC_DIR}/src/[^.]*.rst)
 
   add_custom_command(
     OUTPUT docenv
@@ -28,25 +26,10 @@ if(BUILD_DOC)
     COMMAND ${DOCENV_BINARY_DIR}/pip install --upgrade ${LAMMPS_DOC_DIR}/utils/converters
   )
 
-  set(RST_FILES "")
-  set(RST_DIR ${CMAKE_BINARY_DIR}/rst)
-  file(MAKE_DIRECTORY ${RST_DIR})
-  foreach(TXT_FILE ${DOC_SOURCES})
-    get_filename_component(FILENAME ${TXT_FILE} NAME_WE)
-    set(RST_FILE ${RST_DIR}/${FILENAME}.rst)
-    list(APPEND RST_FILES ${RST_FILE})
-    add_custom_command(
-      OUTPUT ${RST_FILE}
-      DEPENDS requirements.txt docenv ${TXT_FILE}
-      COMMAND ${DOCENV_BINARY_DIR}/txt2rst -o ${RST_DIR} ${TXT_FILE}
-    )
-  endforeach()
-
   add_custom_command(
     OUTPUT html
-    DEPENDS ${RST_FILES}
-    COMMAND ${CMAKE_COMMAND} -E copy_directory ${LAMMPS_DOC_DIR}/src ${RST_DIR}
-    COMMAND ${DOCENV_BINARY_DIR}/sphinx-build -j ${NPROCS} -b html -c ${LAMMPS_DOC_DIR}/utils/sphinx-config -d ${CMAKE_BINARY_DIR}/doctrees ${RST_DIR} html
+    DEPENDS ${DOC_SOURCES} docenv requirements.txt
+    COMMAND ${DOCENV_BINARY_DIR}/sphinx-build -j ${NPROCS} -b html -c ${LAMMPS_DOC_DIR}/utils/sphinx-config -d ${CMAKE_BINARY_DIR}/doctrees ${LAMMPS_DOC_DIR}/src html
   )
 
   add_custom_target(
diff --git a/doc/README b/doc/README
index 6db4ba3ca7..1416584eed 100644
--- a/doc/README
+++ b/doc/README
@@ -5,7 +5,7 @@ sub-directories and optionally 2 PDF files and an ePUB file:
 
 src             content files for LAMMPS documentation
 html            HTML version of the LAMMPS manual (see html/Manual.html)
-tools           tools and settings for building the documentation
+utils           utilities and settings for building the documentation
 Manual.pdf      large PDF version of entire manual
 Developer.pdf   small PDF with info about how LAMMPS is structured
 LAMMPS.epub     Manual in ePUB format
@@ -25,17 +25,12 @@ the fetched documentation will include those changes (but your source
 code will not, unless you update your local repository).
 
 (b) You can build the HTML and PDF files yourself, by typing "make
-html" followed by "make pdf".  Note that the PDF make requires the
-HTML files already exist.  This requires various tools including
-Sphinx, which the build process will attempt to download and install
-on your system, if not already available.  See more details below.
-
-(c) You can genererate an older, simpler, less-fancy style of HTML
-documentation by typing "make old".  This will create an "old"
-directory.  This can be useful if (b) does not work on your box for
-some reason, or you want to quickly view the HTML version of a doc
-page you have created or edited yourself within the src directory.
-E.g. if you are planning to submit a new feature to LAMMPS.
+html" or by "make pdf", respectively.  This requires various tools
+including the Python documentation processing tool Sphinx, which the
+build process will attempt to download and install on your system into
+a python virtual environment, if not already available.  The PDF file
+will require a working LaTeX installation with several add-on packages
+in addition to the Python/Sphinx setup.  See more details below.
 
 ----------------
 
@@ -46,11 +41,10 @@ Options:
 
 make html         # generate HTML in html dir using Sphinx
 make pdf          # generate 2 PDF files (Manual.pdf,Developer.pdf)
-                  #   in this dir via htmldoc and pdflatex
-make old          # generate old-style HTML pages in old dir via txt2html
+                  #   in this dir via Sphinx and PDFLaTeX
 make fetch        # fetch HTML doc pages and 2 PDF files from web site
                   #   as a tarball and unpack into html dir and 2 PDFs
-make epub         # generate LAMMPS.epub in ePUB format using Sphinx 
+make epub         # generate LAMMPS.epub in ePUB format using Sphinx
 make clean        # remove intermediate RST files created by HTML build
 make clean-all    # remove entire build folder and any cached data
 
@@ -94,8 +88,17 @@ This will install virtualenv from the Python Package Index.
 
 Installing prerequisites for PDF build
 
-[TBA]
-
+Same as for HTML plus a compatible LaTeX installation with
+support for PDFLaTeX. Also the following LaTeX packages need
+to be installed (e.g. from texlive):
+- amsmath
+- babel
+- cmap
+- fncychap
+- geometry
+- hyperref
+- hypcap
+- times
 ----------------
 
 Installing prerequisites for epub build
@@ -103,7 +106,11 @@ Installing prerequisites for epub build
 ## ePUB
 
 Same as for HTML. This uses the same tools and configuration
-files as the HTML tree.
+files as the HTML tree. The ePUB format conversion currently
+does not support processing mathematical expressions via MathJAX,
+so there will be limitations on some pages. For the time being
+until this is resolved, building and using the PDF format file
+is recommended instead.
 
 For converting the generated ePUB file to a mobi format file
 (for e-book readers like Kindle, that cannot read ePUB), you
diff --git a/doc/lammps.1 b/doc/lammps.1
index ec31d19b74..a5045be5c4 100644
--- a/doc/lammps.1
+++ b/doc/lammps.1
@@ -1,4 +1,4 @@
-.TH LAMMPS "30 October 2019" "2019-10-30"
+.TH LAMMPS "20 November 2019" "2019-11-20"
 .SH NAME
 .B LAMMPS
 \- Molecular Dynamics Simulator.
diff --git a/doc/src/.gitignore b/doc/src/.gitignore
index be126ab4aa..e0b9693457 100644
--- a/doc/src/.gitignore
+++ b/doc/src/.gitignore
@@ -1,2 +1,3 @@
-Eqs
-JPG
+/Eqs
+/JPG
+/false_positives.txt
diff --git a/doc/src/Commands.rst b/doc/src/Commands.rst
index e845faa903..f192d6a59d 100644
--- a/doc/src/Commands.rst
+++ b/doc/src/Commands.rst
@@ -27,8 +27,3 @@ commands in it are used to define a LAMMPS simulation.
    :maxdepth: 1
 
    Commands_removed
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/Commands_all.rst b/doc/src/Commands_all.rst
index 583e9e3c3a..d47c3299d0 100644
--- a/doc/src/Commands_all.rst
+++ b/doc/src/Commands_all.rst
@@ -1,59 +1,135 @@
-+----------------------------------------+------------------------------------+------------------------------------------+
-| :doc:`General commands <Commands_all>` | :doc:`Fix styles <Commands_fix>`   | :doc:`Compute styles <Commands_compute>` |
-+----------------------------------------+------------------------------------+------------------------------------------+
-| :doc:`Pair styles <Commands_pair>`     | :doc:`Bond styles <Commands_bond>` | :ref:`Angle styles <angle>`              |
-+----------------------------------------+------------------------------------+------------------------------------------+
-| :ref:`Dihedral styles <dihedral>`      | :ref:`Improper styles <improper>`  | :doc:`KSpace styles <Commands_kspace>`   |
-+----------------------------------------+------------------------------------+------------------------------------------+
+.. table_from_list::
+   :columns: 3
+
+   * :doc:`General commands <Commands_all>`
+   * :doc:`Fix styles <Commands_fix>`
+   * :doc:`Compute styles <Commands_compute>`
+   * :doc:`Pair styles <Commands_pair>`
+   * :ref:`Bond styles <bond>`
+   * :ref:`Angle styles <angle>`
+   * :ref:`Dihedral styles <dihedral>`
+   * :ref:`Improper styles <improper>`
+   * :doc:`KSpace styles <Commands_kspace>`
 
 General commands
 ================
 
 An alphabetic list of all general LAMMPS commands.
 
-+-----------------------------------------+-----------------------------------------+-----------------------------------------+-----------------------------------------+---------------------------------------------+-----------------------------------------+
-| :doc:`angle\_coeff <angle_coeff>`       | :doc:`angle\_style <angle_style>`       | :doc:`atom\_modify <atom_modify>`       | :doc:`atom\_style <atom_style>`         | :doc:`balance <balance>`                    | :doc:`bond\_coeff <bond_coeff>`         |
-+-----------------------------------------+-----------------------------------------+-----------------------------------------+-----------------------------------------+---------------------------------------------+-----------------------------------------+
-| :doc:`bond\_style <bond_style>`         | :doc:`bond\_write <bond_write>`         | :doc:`boundary <boundary>`              | :doc:`box <box>`                        | :doc:`change\_box <change_box>`             | :doc:`clear <clear>`                    |
-+-----------------------------------------+-----------------------------------------+-----------------------------------------+-----------------------------------------+---------------------------------------------+-----------------------------------------+
-| :doc:`comm\_modify <comm_modify>`       | :doc:`comm\_style <comm_style>`         | :doc:`compute <compute>`                | :doc:`compute\_modify <compute_modify>` | :doc:`create\_atoms <create_atoms>`         | :doc:`create\_bonds <create_bonds>`     |
-+-----------------------------------------+-----------------------------------------+-----------------------------------------+-----------------------------------------+---------------------------------------------+-----------------------------------------+
-| :doc:`create\_box <create_box>`         | :doc:`delete\_atoms <delete_atoms>`     | :doc:`delete\_bonds <delete_bonds>`     | :doc:`dielectric <dielectric>`          | :doc:`dihedral\_coeff <dihedral_coeff>`     | :doc:`dihedral\_style <dihedral_style>` |
-+-----------------------------------------+-----------------------------------------+-----------------------------------------+-----------------------------------------+---------------------------------------------+-----------------------------------------+
-| :doc:`dimension <dimension>`            | :doc:`displace\_atoms <displace_atoms>` | :doc:`dump <dump>`                      | :doc:`dump adios <dump_adios>`          | :doc:`dump image <dump_image>`              | :doc:`dump movie <dump_image>`          |
-+-----------------------------------------+-----------------------------------------+-----------------------------------------+-----------------------------------------+---------------------------------------------+-----------------------------------------+
-| :doc:`dump netcdf <dump_netcdf>`        | :doc:`dump netcdf/mpiio <dump_netcdf>`  | :doc:`dump vtk <dump_vtk>`              | :doc:`dump\_modify <dump_modify>`       | :doc:`dynamical\_matrix <dynamical_matrix>` | :doc:`echo <echo>`                      |
-+-----------------------------------------+-----------------------------------------+-----------------------------------------+-----------------------------------------+---------------------------------------------+-----------------------------------------+
-| :doc:`fix <fix>`                        | :doc:`fix\_modify <fix_modify>`         | :doc:`group <group>`                    | :doc:`group2ndx <group2ndx>`            | :doc:`hyper <hyper>`                        | :doc:`if <if>`                          |
-+-----------------------------------------+-----------------------------------------+-----------------------------------------+-----------------------------------------+---------------------------------------------+-----------------------------------------+
-| :doc:`info <info>`                      | :doc:`improper\_coeff <improper_coeff>` | :doc:`improper\_style <improper_style>` | :doc:`include <include>`                | :doc:`jump <jump>`                          | :doc:`kim\_init <kim_commands>`         |
-+-----------------------------------------+-----------------------------------------+-----------------------------------------+-----------------------------------------+---------------------------------------------+-----------------------------------------+
-| :doc:`kim\_interactions <kim_commands>` | :doc:`kim\_query <kim_commands>`        | :doc:`kspace\_modify <kspace_modify>`   | :doc:`kspace\_style <kspace_style>`     | :doc:`label <label>`                        | :doc:`lattice <lattice>`                |
-+-----------------------------------------+-----------------------------------------+-----------------------------------------+-----------------------------------------+---------------------------------------------+-----------------------------------------+
-| :doc:`log <log>`                        | :doc:`mass <mass>`                      | :doc:`message <message>`                | :doc:`minimize <minimize>`              | :doc:`min\_modify <min_modify>`             | :doc:`min\_style <min_style>`           |
-+-----------------------------------------+-----------------------------------------+-----------------------------------------+-----------------------------------------+---------------------------------------------+-----------------------------------------+
-| :doc:`min\_style spin <min_spin>`       | :doc:`molecule <molecule>`              | :doc:`ndx2group <group2ndx>`            | :doc:`neb <neb>`                        | :doc:`neb/spin <neb_spin>`                  | :doc:`neigh\_modify <neigh_modify>`     |
-+-----------------------------------------+-----------------------------------------+-----------------------------------------+-----------------------------------------+---------------------------------------------+-----------------------------------------+
-| :doc:`neighbor <neighbor>`              | :doc:`newton <newton>`                  | :doc:`next <next>`                      | :doc:`package <package>`                | :doc:`pair\_coeff <pair_coeff>`             | :doc:`pair\_modify <pair_modify>`       |
-+-----------------------------------------+-----------------------------------------+-----------------------------------------+-----------------------------------------+---------------------------------------------+-----------------------------------------+
-| :doc:`pair\_style <pair_style>`         | :doc:`pair\_write <pair_write>`         | :doc:`partition <partition>`            | :doc:`prd <prd>`                        | :doc:`print <print>`                        | :doc:`processors <processors>`          |
-+-----------------------------------------+-----------------------------------------+-----------------------------------------+-----------------------------------------+---------------------------------------------+-----------------------------------------+
-| :doc:`python <python>`                  | :doc:`quit <quit>`                      | :doc:`read\_data <read_data>`           | :doc:`read\_dump <read_dump>`           | :doc:`read\_restart <read_restart>`         | :doc:`region <region>`                  |
-+-----------------------------------------+-----------------------------------------+-----------------------------------------+-----------------------------------------+---------------------------------------------+-----------------------------------------+
-| :doc:`replicate <replicate>`            | :doc:`rerun <rerun>`                    | :doc:`reset\_ids <reset_ids>`           | :doc:`reset\_timestep <reset_timestep>` | :doc:`restart <restart>`                    | :doc:`run <run>`                        |
-+-----------------------------------------+-----------------------------------------+-----------------------------------------+-----------------------------------------+---------------------------------------------+-----------------------------------------+
-| :doc:`run\_style <run_style>`           | :doc:`server <server>`                  | :doc:`set <set>`                        | :doc:`shell <shell>`                    | :doc:`special\_bonds <special_bonds>`       | :doc:`suffix <suffix>`                  |
-+-----------------------------------------+-----------------------------------------+-----------------------------------------+-----------------------------------------+---------------------------------------------+-----------------------------------------+
-| :doc:`tad <tad>`                        | :doc:`temper <temper>`                  | :doc:`temper/grem <temper_grem>`        | :doc:`temper/npt <temper_npt>`          | :doc:`thermo <thermo>`                      | :doc:`thermo\_modify <thermo_modify>`   |
-+-----------------------------------------+-----------------------------------------+-----------------------------------------+-----------------------------------------+---------------------------------------------+-----------------------------------------+
-| :doc:`thermo\_style <thermo_style>`     | :doc:`third\_order <third_order>`       | :doc:`timer <timer>`                    | :doc:`timestep <timestep>`              | :doc:`uncompute <uncompute>`                | :doc:`undump <undump>`                  |
-+-----------------------------------------+-----------------------------------------+-----------------------------------------+-----------------------------------------+---------------------------------------------+-----------------------------------------+
-| :doc:`unfix <unfix>`                    | :doc:`units <units>`                    | :doc:`variable <variable>`              | :doc:`velocity <velocity>`              | :doc:`write\_coeff <write_coeff>`           | :doc:`write\_data <write_data>`         |
-+-----------------------------------------+-----------------------------------------+-----------------------------------------+-----------------------------------------+---------------------------------------------+-----------------------------------------+
-| :doc:`write\_dump <write_dump>`         | :doc:`write\_restart <write_restart>`   |                                         |                                         |                                             |                                         |
-+-----------------------------------------+-----------------------------------------+-----------------------------------------+-----------------------------------------+---------------------------------------------+-----------------------------------------+
+.. table_from_list::
+   :columns: 6
 
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
+   * :doc:`angle_coeff <angle_coeff>`
+   * :doc:`angle_style <angle_style>`
+   * :doc:`atom_modify <atom_modify>`
+   * :doc:`atom_style <atom_style>`
+   * :doc:`balance <balance>`
+   * :doc:`bond_coeff <bond_coeff>`
+   * :doc:`bond\_style <bond_style>`
+   * :doc:`bond\_write <bond_write>`
+   * :doc:`boundary <boundary>`
+   * :doc:`box <box>`
+   * :doc:`change\_box <change_box>`
+   * :doc:`clear <clear>`
+   * :doc:`comm\_modify <comm_modify>`
+   * :doc:`comm\_style <comm_style>`
+   * :doc:`compute <compute>`
+   * :doc:`compute\_modify <compute_modify>`
+   * :doc:`create\_atoms <create_atoms>`
+   * :doc:`create\_bonds <create_bonds>`
+   * :doc:`create\_box <create_box>`
+   * :doc:`delete\_atoms <delete_atoms>`
+   * :doc:`delete\_bonds <delete_bonds>`
+   * :doc:`dielectric <dielectric>`
+   * :doc:`dihedral\_coeff <dihedral_coeff>`
+   * :doc:`dihedral\_style <dihedral_style>`
+   * :doc:`dimension <dimension>`
+   * :doc:`displace\_atoms <displace_atoms>`
+   * :doc:`dump <dump>`
+   * :doc:`dump adios <dump_adios>`
+   * :doc:`dump image <dump_image>`
+   * :doc:`dump movie <dump_image>`
+   * :doc:`dump netcdf <dump_netcdf>`
+   * :doc:`dump netcdf/mpiio <dump_netcdf>`
+   * :doc:`dump vtk <dump_vtk>`
+   * :doc:`dump\_modify <dump_modify>`
+   * :doc:`dynamical\_matrix <dynamical_matrix>`
+   * :doc:`echo <echo>`
+   * :doc:`fix <fix>`
+   * :doc:`fix\_modify <fix_modify>`
+   * :doc:`group <group>`
+   * :doc:`group2ndx <group2ndx>`
+   * :doc:`hyper <hyper>`
+   * :doc:`if <if>`
+   * :doc:`improper\_coeff <improper_coeff>`
+   * :doc:`improper\_style <improper_style>`
+   * :doc:`include <include>`
+   * :doc:`jump <jump>`
+   * :doc:`kim\_init <kim_commands>`
+   * :doc:`kim\_interactions <kim_commands>`
+   * :doc:`kim\_query <kim_commands>`
+   * :doc:`kspace\_modify <kspace_modify>`
+   * :doc:`kspace\_style <kspace_style>`
+   * :doc:`label <label>`
+   * :doc:`lattice <lattice>`
+   * :doc:`log <log>`
+   * :doc:`mass <mass>`
+   * :doc:`message <message>`
+   * :doc:`minimize <minimize>`
+   * :doc:`min\_modify <min_modify>`
+   * :doc:`min\_style <min_style>`
+   * :doc:`min\_style spin <min_spin>`
+   * :doc:`molecule <molecule>`
+   * :doc:`ndx2group <group2ndx>`
+   * :doc:`neb <neb>`
+   * :doc:`neb/spin <neb_spin>`
+   * :doc:`neigh\_modify <neigh_modify>`
+   * :doc:`neighbor <neighbor>`
+   * :doc:`newton <newton>`
+   * :doc:`next <next>`
+   * :doc:`package <package>`
+   * :doc:`pair\_coeff <pair_coeff>`
+   * :doc:`pair\_modify <pair_modify>`
+   * :doc:`pair\_write <pair_write>`
+   * :doc:`partition <partition>`
+   * :doc:`prd <prd>`
+   * :doc:`print <print>`
+   * :doc:`processors <processors>`
+   * :doc:`python <python>`
+   * :doc:`quit <quit>`
+   * :doc:`read\_data <read_data>`
+   * :doc:`read\_dump <read_dump>`
+   * :doc:`read\_restart <read_restart>`
+   * :doc:`region <region>`
+   * :doc:`replicate <replicate>`
+   * :doc:`rerun <rerun>`
+   * :doc:`reset\_ids <reset_ids>`
+   * :doc:`reset\_timestep <reset_timestep>`
+   * :doc:`restart <restart>`
+   * :doc:`run <run>`
+   * :doc:`run\_style <run_style>`
+   * :doc:`server <server>`
+   * :doc:`set <set>`
+   * :doc:`shell <shell>`
+   * :doc:`special\_bonds <special_bonds>`
+   * :doc:`suffix <suffix>`
+   * :doc:`tad <tad>`
+   * :doc:`temper <temper>`
+   * :doc:`temper/grem <temper_grem>`
+   * :doc:`temper/npt <temper_npt>`
+   * :doc:`thermo <thermo>`
+   * :doc:`thermo\_modify <thermo_modify>`
+   * :doc:`thermo\_style <thermo_style>`
+   * :doc:`third\_order <third_order>`
+   * :doc:`timer <timer>`
+   * :doc:`timestep <timestep>`
+   * :doc:`uncompute <uncompute>`
+   * :doc:`undump <undump>`
+   * :doc:`unfix <unfix>`
+   * :doc:`units <units>`
+   * :doc:`variable <variable>`
+   * :doc:`velocity <velocity>`
+   * :doc:`write\_coeff <write_coeff>`
+   * :doc:`write\_data <write_data>`
+   * :doc:`write\_dump <write_dump>`
+   * :doc:`write\_restart <write_restart>`
diff --git a/doc/src/Commands_bond.rst b/doc/src/Commands_bond.rst
index 2eb6c1f8c7..dbf7344394 100644
--- a/doc/src/Commands_bond.rst
+++ b/doc/src/Commands_bond.rst
@@ -1,112 +1,169 @@
+.. table_from_list::
+   :columns: 3
+
+   * :doc:`General commands <Commands_all>`
+   * :doc:`Fix styles <Commands_fix>`
+   * :doc:`Compute styles <Commands_compute>`
+   * :doc:`Pair styles <Commands_pair>`
+   * :ref:`Bond styles <bond>`
+   * :ref:`Angle styles <angle>`
+   * :ref:`Dihedral styles <dihedral>`
+   * :ref:`Improper styles <improper>`
+   * :doc:`KSpace styles <Commands_kspace>`
+
 .. _bond:
 
-Bond\_style potentials
-=================================
+bond_style potentials
+=====================
 
-All LAMMPS :doc:`bond\_style <bond_style>` commands.  Some styles have
+All LAMMPS :doc:`bond_style <bond_style>` commands.  Some styles have
 accelerated versions.  This is indicated by additional letters in
 parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t =
 OPT.
 
-+---------------------------------------+-------------------------------------------------+---------------------------------------------------------+---------------------------------+
-| :doc:`none <bond_none>`               | :doc:`zero <bond_zero>`                         | :doc:`hybrid <bond_hybrid>`                             |                                 |
-+---------------------------------------+-------------------------------------------------+---------------------------------------------------------+---------------------------------+
-|                                       |                                                 |                                                         |                                 |
-+---------------------------------------+-------------------------------------------------+---------------------------------------------------------+---------------------------------+
-| :doc:`class2 (ko) <bond_class2>`      | :doc:`fene (iko) <bond_fene>`                   | :doc:`fene/expand (o) <bond_fene_expand>`               | :doc:`gromos (o) <bond_gromos>` |
-+---------------------------------------+-------------------------------------------------+---------------------------------------------------------+---------------------------------+
-| :doc:`harmonic (iko) <bond_harmonic>` | :doc:`harmonic/shift (o) <bond_harmonic_shift>` | :doc:`harmonic/shift/cut (o) <bond_harmonic_shift_cut>` | :doc:`mm3 <bond_mm3>`           |
-+---------------------------------------+-------------------------------------------------+---------------------------------------------------------+---------------------------------+
-| :doc:`morse (o) <bond_morse>`         | :doc:`nonlinear (o) <bond_nonlinear>`           | :doc:`oxdna/fene <bond_oxdna>`                          | :doc:`oxdna2/fene <bond_oxdna>` |
-+---------------------------------------+-------------------------------------------------+---------------------------------------------------------+---------------------------------+
-| :doc:`quartic (o) <bond_quartic>`     | :doc:`table (o) <bond_table>`                   |                                                         |                                 |
-+---------------------------------------+-------------------------------------------------+---------------------------------------------------------+---------------------------------+
+.. table_from_list::
+   :columns: 4
 
+   * :doc:`none <bond_none>`
+   * :doc:`zero <bond_zero>`
+   * :doc:`hybrid <bond_hybrid>`
+   *
+   *
+   *
+   *
+   *
+   * :doc:`class2 (ko) <bond_class2>`
+   * :doc:`fene (iko) <bond_fene>`
+   * :doc:`fene/expand (o) <bond_fene_expand>`
+   * :doc:`gromos (o) <bond_gromos>`
+   * :doc:`harmonic (iko) <bond_harmonic>`
+   * :doc:`harmonic/shift (o) <bond_harmonic_shift>`
+   * :doc:`harmonic/shift/cut (o) <bond_harmonic_shift_cut>`
+   * :doc:`mm3 <bond_mm3>`
+   * :doc:`morse (o) <bond_morse>`
+   * :doc:`nonlinear (o) <bond_nonlinear>`
+   * :doc:`oxdna/fene <bond_oxdna>`
+   * :doc:`oxdna2/fene <bond_oxdna>`
+   * :doc:`quartic (o) <bond_quartic>`
+   * :doc:`table (o) <bond_table>`
+   *
+   *
 
-----------
-
+---
 
 .. _angle:
 
-Angle\_style potentials
-===================================
+angle_style potentials
+======================
 
-All LAMMPS :doc:`angle\_style <angle_style>` commands.  Some styles have
+All LAMMPS :doc:`angle_style <angle_style>` commands.  Some styles have
 accelerated versions.  This is indicated by additional letters in
 parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t =
 OPT.
 
-+------------------------------------------------------+--------------------------------------------------+----------------------------------------------------+----------------------------------------------+
-| :doc:`none <angle_none>`                             | :doc:`zero <angle_zero>`                         | :doc:`hybrid <angle_hybrid>`                       |                                              |
-+------------------------------------------------------+--------------------------------------------------+----------------------------------------------------+----------------------------------------------+
-|                                                      |                                                  |                                                    |                                              |
-+------------------------------------------------------+--------------------------------------------------+----------------------------------------------------+----------------------------------------------+
-| :doc:`charmm (iko) <angle_charmm>`                   | :doc:`class2 (ko) <angle_class2>`                | :doc:`class2/p6 <angle_class2>`                    | :doc:`cosine (ko) <angle_cosine>`            |
-+------------------------------------------------------+--------------------------------------------------+----------------------------------------------------+----------------------------------------------+
-| :doc:`cosine/buck6d <angle_cosine_buck6d>`           | :doc:`cosine/delta (o) <angle_cosine_delta>`     | :doc:`cosine/periodic (o) <angle_cosine_periodic>` | :doc:`cosine/shift (o) <angle_cosine_shift>` |
-+------------------------------------------------------+--------------------------------------------------+----------------------------------------------------+----------------------------------------------+
-| :doc:`cosine/shift/exp (o) <angle_cosine_shift_exp>` | :doc:`cosine/squared (o) <angle_cosine_squared>` | :doc:`cross <angle_cross>`                         | :doc:`dipole (o) <angle_dipole>`             |
-+------------------------------------------------------+--------------------------------------------------+----------------------------------------------------+----------------------------------------------+
-| :doc:`fourier (o) <angle_fourier>`                   | :doc:`fourier/simple (o) <angle_fourier_simple>` | :doc:`harmonic (iko) <angle_harmonic>`             | :doc:`mm3 <angle_mm3>`                       |
-+------------------------------------------------------+--------------------------------------------------+----------------------------------------------------+----------------------------------------------+
-| :doc:`quartic (o) <angle_quartic>`                   | :doc:`sdk (o) <angle_sdk>`                       | :doc:`table (o) <angle_table>`                     |                                              |
-+------------------------------------------------------+--------------------------------------------------+----------------------------------------------------+----------------------------------------------+
+.. table_from_list::
+   :columns: 4
 
+   * :doc:`none <angle_none>`
+   * :doc:`zero <angle_zero>`
+   * :doc:`hybrid <angle_hybrid>`
+   *
+   *
+   *
+   *
+   *
+   * :doc:`charmm (iko) <angle_charmm>`
+   * :doc:`class2 (ko) <angle_class2>`
+   * :doc:`class2/p6 <angle_class2>`
+   * :doc:`cosine (ko) <angle_cosine>`
+   * :doc:`cosine/buck6d <angle_cosine_buck6d>`
+   * :doc:`cosine/delta (o) <angle_cosine_delta>`
+   * :doc:`cosine/periodic (o) <angle_cosine_periodic>`
+   * :doc:`cosine/shift (o) <angle_cosine_shift>`
+   * :doc:`cosine/shift/exp (o) <angle_cosine_shift_exp>`
+   * :doc:`cosine/squared (o) <angle_cosine_squared>`
+   * :doc:`cross <angle_cross>`
+   * :doc:`dipole (o) <angle_dipole>`
+   * :doc:`fourier (o) <angle_fourier>`
+   * :doc:`fourier/simple (o) <angle_fourier_simple>`
+   * :doc:`harmonic (iko) <angle_harmonic>`
+   * :doc:`mm3 <angle_mm3>`
+   * :doc:`quartic (o) <angle_quartic>`
+   * :doc:`sdk (o) <angle_sdk>`
+   * :doc:`table (o) <angle_table>`
+   *
 
-----------
-
+---
 
 .. _dihedral:
 
-Dihedral\_style potentials
-=========================================
+dihedral_style potentials
+=========================
 
-All LAMMPS :doc:`dihedral\_style <dihedral_style>` commands.  Some styles
+All LAMMPS :doc:`dihedral_style <dihedral_style>` commands.  Some styles
 have accelerated versions.  This is indicated by additional letters in
 parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t =
 OPT.
 
-+-------------------------------------------+-------------------------------------------+-------------------------------------------+---------------------------------------------------------+
-| :doc:`none <dihedral_none>`               | :doc:`zero <dihedral_zero>`               | :doc:`hybrid <dihedral_hybrid>`           |                                                         |
-+-------------------------------------------+-------------------------------------------+-------------------------------------------+---------------------------------------------------------+
-|                                           |                                           |                                           |                                                         |
-+-------------------------------------------+-------------------------------------------+-------------------------------------------+---------------------------------------------------------+
-| :doc:`charmm (iko) <dihedral_charmm>`     | :doc:`charmmfsw <dihedral_charmm>`        | :doc:`class2 (ko) <dihedral_class2>`      | :doc:`cosine/shift/exp (o) <dihedral_cosine_shift_exp>` |
-+-------------------------------------------+-------------------------------------------+-------------------------------------------+---------------------------------------------------------+
-| :doc:`fourier (io) <dihedral_fourier>`    | :doc:`harmonic (iko) <dihedral_harmonic>` | :doc:`helix (o) <dihedral_helix>`         | :doc:`multi/harmonic (o) <dihedral_multi_harmonic>`     |
-+-------------------------------------------+-------------------------------------------+-------------------------------------------+---------------------------------------------------------+
-| :doc:`nharmonic (o) <dihedral_nharmonic>` | :doc:`opls (iko) <dihedral_opls>`         | :doc:`quadratic (o) <dihedral_quadratic>` | :doc:`spherical <dihedral_spherical>`                   |
-+-------------------------------------------+-------------------------------------------+-------------------------------------------+---------------------------------------------------------+
-| :doc:`table (o) <dihedral_table>`         | :doc:`table/cut <dihedral_table_cut>`     |                                           |                                                         |
-+-------------------------------------------+-------------------------------------------+-------------------------------------------+---------------------------------------------------------+
 
+.. table_from_list::
+   :columns: 4
 
-----------
-
+   * :doc:`none <dihedral_none>`
+   * :doc:`zero <dihedral_zero>`
+   * :doc:`hybrid <dihedral_hybrid>`
+   *
+   *
+   *
+   *
+   *
+   * :doc:`charmm (iko) <dihedral_charmm>`
+   * :doc:`charmmfsw <dihedral_charmm>`
+   * :doc:`class2 (ko) <dihedral_class2>`
+   * :doc:`cosine/shift/exp (o) <dihedral_cosine_shift_exp>`
+   * :doc:`fourier (io) <dihedral_fourier>`
+   * :doc:`harmonic (iko) <dihedral_harmonic>`
+   * :doc:`helix (o) <dihedral_helix>`
+   * :doc:`multi/harmonic (o) <dihedral_multi_harmonic>`
+   * :doc:`nharmonic (o) <dihedral_nharmonic>`
+   * :doc:`opls (iko) <dihedral_opls>`
+   * :doc:`quadratic (o) <dihedral_quadratic>`
+   * :doc:`spherical <dihedral_spherical>`
+   * :doc:`table (o) <dihedral_table>`
+   * :doc:`table/cut <dihedral_table_cut>`
+   *
+   *
 
 .. _improper:
 
-Improper\_style potentials
-=========================================
+improper_style potentials
+=========================
 
 All LAMMPS :doc:`improper\_style <improper_style>` commands.  Some styles
 have accelerated versions.  This is indicated by additional letters in
 parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t =
 OPT.
 
-+--------------------------------------+-----------------------------------------+-------------------------------------------+---------------------------------------------------------+
-| :doc:`none <improper_none>`          | :doc:`zero <improper_zero>`             | :doc:`hybrid <improper_hybrid>`           |                                                         |
-+--------------------------------------+-----------------------------------------+-------------------------------------------+---------------------------------------------------------+
-|                                      |                                         |                                           |                                                         |
-+--------------------------------------+-----------------------------------------+-------------------------------------------+---------------------------------------------------------+
-| :doc:`class2 (ko) <improper_class2>` | :doc:`cossq (o) <improper_cossq>`       | :doc:`cvff (io) <improper_cvff>`          | :doc:`distance <improper_distance>`                     |
-+--------------------------------------+-----------------------------------------+-------------------------------------------+---------------------------------------------------------+
-| :doc:`distharm <improper_distharm>`  | :doc:`fourier (o) <improper_fourier>`   | :doc:`harmonic (iko) <improper_harmonic>` | :doc:`inversion/harmonic <improper_inversion_harmonic>` |
-+--------------------------------------+-----------------------------------------+-------------------------------------------+---------------------------------------------------------+
-| :doc:`ring (o) <improper_ring>`      | :doc:`sqdistharm <improper_sqdistharm>` | :doc:`umbrella (o) <improper_umbrella>`   |                                                         |
-+--------------------------------------+-----------------------------------------+-------------------------------------------+---------------------------------------------------------+
+.. table_from_list::
+   :columns: 4
 
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
+   * :doc:`none <improper_none>`
+   * :doc:`zero <improper_zero>`
+   * :doc:`hybrid <improper_hybrid>`
+   *
+   *
+   *
+   *
+   *
+   * :doc:`class2 (ko) <improper_class2>`
+   * :doc:`cossq (o) <improper_cossq>`
+   * :doc:`cvff (io) <improper_cvff>`
+   * :doc:`distance <improper_distance>`
+   * :doc:`distharm <improper_distharm>`
+   * :doc:`fourier (o) <improper_fourier>`
+   * :doc:`harmonic (iko) <improper_harmonic>`
+   * :doc:`inversion/harmonic <improper_inversion_harmonic>`
+   * :doc:`ring (o) <improper_ring>`
+   * :doc:`sqdistharm <improper_sqdistharm>`
+   * :doc:`umbrella (o) <improper_umbrella>`
+   *
diff --git a/doc/src/Commands_category.rst b/doc/src/Commands_category.rst
index 14a354ad13..b1b0e0cadc 100644
--- a/doc/src/Commands_category.rst
+++ b/doc/src/Commands_category.rst
@@ -130,8 +130,3 @@ Input script control:
 * :doc:`quit <quit>`,
 * :doc:`shell <shell>`,
 * :doc:`variable <variable>`
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/Commands_compute.rst b/doc/src/Commands_compute.rst
index 351eca3709..01943ac803 100644
--- a/doc/src/Commands_compute.rst
+++ b/doc/src/Commands_compute.rst
@@ -1,10 +1,15 @@
-+----------------------------------------+------------------------------------+------------------------------------------+
-| :doc:`General commands <Commands_all>` | :doc:`Fix styles <Commands_fix>`   | :doc:`Compute styles <Commands_compute>` |
-+----------------------------------------+------------------------------------+------------------------------------------+
-| :doc:`Pair styles <Commands_pair>`     | :doc:`Bond styles <Commands_bond>` | :ref:`Angle styles <angle>`              |
-+----------------------------------------+------------------------------------+------------------------------------------+
-| :ref:`Dihedral styles <dihedral>`      | :ref:`Improper styles <improper>`  | :doc:`KSpace styles <Commands_kspace>`   |
-+----------------------------------------+------------------------------------+------------------------------------------+
+.. table_from_list::
+   :columns: 3
+
+   * :doc:`General commands <Commands_all>`
+   * :doc:`Fix styles <Commands_fix>`
+   * :doc:`Compute styles <Commands_compute>`
+   * :doc:`Pair styles <Commands_pair>`
+   * :ref:`Bond styles <bond>`
+   * :ref:`Angle styles <angle>`
+   * :ref:`Dihedral styles <dihedral>`
+   * :ref:`Improper styles <improper>`
+   * :doc:`KSpace styles <Commands_kspace>`
 
 Compute commands
 ================
@@ -14,57 +19,150 @@ Some styles have accelerated versions.  This is indicated by
 additional letters in parenthesis: g = GPU, i = USER-INTEL, k =
 KOKKOS, o = USER-OMP, t = OPT.
 
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
-| :doc:`ackland/atom <compute_ackland_atom>`             | :doc:`adf <compute_adf>`                                         | :doc:`aggregate/atom <compute_cluster_atom>`                 | :doc:`angle <compute_angle>`                             | :doc:`angle/local <compute_angle_local>`                     | :doc:`angmom/chunk <compute_angmom_chunk>`                 |
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
-| :doc:`basal/atom <compute_basal_atom>`                 | :doc:`body/local <compute_body_local>`                           | :doc:`bond <compute_bond>`                                   | :doc:`bond/local <compute_bond_local>`                   | :doc:`centro/atom <compute_centro_atom>`                     | :doc:`chunk/atom <compute_chunk_atom>`                     |
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
-| :doc:`chunk/spread/atom <compute_chunk_spread_atom>`   | :doc:`cluster/atom <compute_cluster_atom>`                       | :doc:`cna/atom <compute_cna_atom>`                           | :doc:`cnp/atom <compute_cnp_atom>`                       | :doc:`com <compute_com>`                                     | :doc:`com/chunk <compute_com_chunk>`                       |
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
-| :doc:`contact/atom <compute_contact_atom>`             | :doc:`coord/atom <compute_coord_atom>`                           | :doc:`damage/atom <compute_damage_atom>`                     | :doc:`dihedral <compute_dihedral>`                       | :doc:`dihedral/local <compute_dihedral_local>`               | :doc:`dilatation/atom <compute_dilatation_atom>`           |
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
-| :doc:`dipole/chunk <compute_dipole_chunk>`             | :doc:`displace/atom <compute_displace_atom>`                     | :doc:`dpd <compute_dpd>`                                     | :doc:`dpd/atom <compute_dpd_atom>`                       | :doc:`edpd/temp/atom <compute_edpd_temp_atom>`               | :doc:`entropy/atom <compute_entropy_atom>`                 |
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
-| :doc:`erotate/asphere <compute_erotate_asphere>`       | :doc:`erotate/rigid <compute_erotate_rigid>`                     | :doc:`erotate/sphere <compute_erotate_sphere>`               | :doc:`erotate/sphere/atom <compute_erotate_sphere_atom>` | :doc:`event/displace <compute_event_displace>`               | :doc:`fep <compute_fep>`                                   |
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
-| :doc:`force/tally <compute_tally>`                     | :doc:`fragment/atom <compute_cluster_atom>`                      | :doc:`global/atom <compute_global_atom>`                     | :doc:`group/group <compute_group_group>`                 | :doc:`gyration <compute_gyration>`                           | :doc:`gyration/chunk <compute_gyration_chunk>`             |
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
-| :doc:`gyration/shape <compute_gyration_shape>`         | :doc:`gyration/shape/chunk <compute_gyration_shape_chunk>`       | :doc:`heat/flux <compute_heat_flux>`                         | :doc:`heat/flux/tally <compute_tally>`                   | :doc:`hexorder/atom <compute_hexorder_atom>`                 | :doc:`hma <compute_hma>`                                   |
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
-| :doc:`improper <compute_improper>`                     | :doc:`improper/local <compute_improper_local>`                   | :doc:`inertia/chunk <compute_inertia_chunk>`                 | :doc:`ke <compute_ke>`                                   | :doc:`ke/atom <compute_ke_atom>`                             | :doc:`ke/atom/eff <compute_ke_atom_eff>`                   |
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
-| :doc:`ke/eff <compute_ke_eff>`                         | :doc:`ke/rigid <compute_ke_rigid>`                               | :doc:`meso/e/atom <compute_meso_e_atom>`                     | :doc:`meso/rho/atom <compute_meso_rho_atom>`             | :doc:`meso/t/atom <compute_meso_t_atom>`                     | :doc:`momentum <compute_momentum>`                         |
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
-| :doc:`msd <compute_msd>`                               | :doc:`msd/chunk <compute_msd_chunk>`                             | :doc:`msd/nongauss <compute_msd_nongauss>`                   | :doc:`omega/chunk <compute_omega_chunk>`                 | :doc:`orientorder/atom <compute_orientorder_atom>`           | :doc:`pair <compute_pair>`                                 |
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
-| :doc:`pair/local <compute_pair_local>`                 | :doc:`pe <compute_pe>`                                           | :doc:`pe/atom <compute_pe_atom>`                             | :doc:`pe/mol/tally <compute_tally>`                      | :doc:`pe/tally <compute_tally>`                              | :doc:`plasticity/atom <compute_plasticity_atom>`           |
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
-| :doc:`pressure <compute_pressure>`                     | :doc:`pressure/cylinder <compute_pressure_cylinder>`             | :doc:`pressure/uef <compute_pressure_uef>`                   | :doc:`property/atom <compute_property_atom>`             | :doc:`property/chunk <compute_property_chunk>`               | :doc:`property/local <compute_property_local>`             |
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
-| :doc:`ptm/atom <compute_ptm_atom>`                     | :doc:`rdf <compute_rdf>`                                         | :doc:`reduce <compute_reduce>`                               | :doc:`reduce/chunk <compute_reduce_chunk>`               | :doc:`reduce/region <compute_reduce>`                        | :doc:`rigid/local <compute_rigid_local>`                   |
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
-| :doc:`saed <compute_saed>`                             | :doc:`slice <compute_slice>`                                     | :doc:`smd/contact/radius <compute_smd_contact_radius>`       | :doc:`smd/damage <compute_smd_damage>`                   | :doc:`smd/hourglass/error <compute_smd_hourglass_error>`     | :doc:`smd/internal/energy <compute_smd_internal_energy>`   |
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
-| :doc:`smd/plastic/strain <compute_smd_plastic_strain>` | :doc:`smd/plastic/strain/rate <compute_smd_plastic_strain_rate>` | :doc:`smd/rho <compute_smd_rho>`                             | :doc:`smd/tlsph/defgrad <compute_smd_tlsph_defgrad>`     | :doc:`smd/tlsph/dt <compute_smd_tlsph_dt>`                   | :doc:`smd/tlsph/num/neighs <compute_smd_tlsph_num_neighs>` |
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
-| :doc:`smd/tlsph/shape <compute_smd_tlsph_shape>`       | :doc:`smd/tlsph/strain <compute_smd_tlsph_strain>`               | :doc:`smd/tlsph/strain/rate <compute_smd_tlsph_strain_rate>` | :doc:`smd/tlsph/stress <compute_smd_tlsph_stress>`       | :doc:`smd/triangle/vertices <compute_smd_triangle_vertices>` | :doc:`smd/ulsph/num/neighs <compute_smd_ulsph_num_neighs>` |
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
-| :doc:`smd/ulsph/strain <compute_smd_ulsph_strain>`     | :doc:`smd/ulsph/strain/rate <compute_smd_ulsph_strain_rate>`     | :doc:`smd/ulsph/stress <compute_smd_ulsph_stress>`           | :doc:`smd/vol <compute_smd_vol>`                         | :doc:`sna/atom <compute_sna_atom>`                           | :doc:`snad/atom <compute_sna_atom>`                        |
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
-| :doc:`snav/atom <compute_sna_atom>`                    | :doc:`spin <compute_spin>`                                       | :doc:`stress/atom <compute_stress_atom>`                     | :doc:`stress/mop <compute_stress_mop>`                   | :doc:`stress/mop/profile <compute_stress_mop>`               | :doc:`stress/tally <compute_tally>`                        |
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
-| :doc:`tdpd/cc/atom <compute_tdpd_cc_atom>`             | :doc:`temp (k) <compute_temp>`                                   | :doc:`temp/asphere <compute_temp_asphere>`                   | :doc:`temp/body <compute_temp_body>`                     | :doc:`temp/chunk <compute_temp_chunk>`                       | :doc:`temp/com <compute_temp_com>`                         |
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
-| :doc:`temp/cs <compute_temp_cs>`                       | :doc:`temp/deform <compute_temp_deform>`                         | :doc:`temp/deform/eff <compute_temp_deform_eff>`             | :doc:`temp/drude <compute_temp_drude>`                   | :doc:`temp/eff <compute_temp_eff>`                           | :doc:`temp/partial <compute_temp_partial>`                 |
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
-| :doc:`temp/profile <compute_temp_profile>`             | :doc:`temp/ramp <compute_temp_ramp>`                             | :doc:`temp/region <compute_temp_region>`                     | :doc:`temp/region/eff <compute_temp_region_eff>`         | :doc:`temp/rotate <compute_temp_rotate>`                     | :doc:`temp/sphere <compute_temp_sphere>`                   |
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
-| :doc:`temp/uef <compute_temp_uef>`                     | :doc:`ti <compute_ti>`                                           | :doc:`torque/chunk <compute_torque_chunk>`                   | :doc:`vacf <compute_vacf>`                               | :doc:`vcm/chunk <compute_vcm_chunk>`                         | :doc:`voronoi/atom <compute_voronoi_atom>`                 |
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
-| :doc:`xrd <compute_xrd>`                               |                                                                  |                                                              |                                                          |                                                              |                                                            |
-+--------------------------------------------------------+------------------------------------------------------------------+--------------------------------------------------------------+----------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+
+.. table_from_list::
+   :columns: 6
 
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
+   * :doc:`ackland/atom <compute_ackland_atom>`
+   * :doc:`adf <compute_adf>`
+   * :doc:`aggregate/atom <compute_cluster_atom>`
+   * :doc:`angle <compute_angle>`
+   * :doc:`angle/local <compute_angle_local>`
+   * :doc:`angmom/chunk <compute_angmom_chunk>`
+   * :doc:`basal/atom <compute_basal_atom>`
+   * :doc:`body/local <compute_body_local>`
+   * :doc:`bond <compute_bond>`
+   * :doc:`bond/local <compute_bond_local>`
+   * :doc:`centro/atom <compute_centro_atom>`
+   * :doc:`centroid/stress/atom <compute_stress_atom>`
+   * :doc:`chunk/atom <compute_chunk_atom>`
+   * :doc:`chunk/spread/atom <compute_chunk_spread_atom>`
+   * :doc:`cluster/atom <compute_cluster_atom>`
+   * :doc:`cna/atom <compute_cna_atom>`
+   * :doc:`cnp/atom <compute_cnp_atom>`
+   * :doc:`com <compute_com>`
+   * :doc:`com/chunk <compute_com_chunk>`
+   * :doc:`contact/atom <compute_contact_atom>`
+   * :doc:`coord/atom <compute_coord_atom>`
+   * :doc:`damage/atom <compute_damage_atom>`
+   * :doc:`dihedral <compute_dihedral>`
+   * :doc:`dihedral/local <compute_dihedral_local>`
+   * :doc:`dilatation/atom <compute_dilatation_atom>`
+   * :doc:`dipole/chunk <compute_dipole_chunk>`
+   * :doc:`displace/atom <compute_displace_atom>`
+   * :doc:`dpd <compute_dpd>`
+   * :doc:`dpd/atom <compute_dpd_atom>`
+   * :doc:`edpd/temp/atom <compute_edpd_temp_atom>`
+   * :doc:`entropy/atom <compute_entropy_atom>`
+   * :doc:`erotate/asphere <compute_erotate_asphere>`
+   * :doc:`erotate/rigid <compute_erotate_rigid>`
+   * :doc:`erotate/sphere <compute_erotate_sphere>`
+   * :doc:`erotate/sphere/atom <compute_erotate_sphere_atom>`
+   * :doc:`event/displace <compute_event_displace>`
+   * :doc:`fep <compute_fep>`
+   * :doc:`force/tally <compute_tally>`
+   * :doc:`fragment/atom <compute_cluster_atom>`
+   * :doc:`global/atom <compute_global_atom>`
+   * :doc:`group/group <compute_group_group>`
+   * :doc:`gyration <compute_gyration>`
+   * :doc:`gyration/chunk <compute_gyration_chunk>`
+   * :doc:`gyration/shape <compute_gyration_shape>`
+   * :doc:`gyration/shape/chunk <compute_gyration_shape_chunk>`
+   * :doc:`heat/flux <compute_heat_flux>`
+   * :doc:`heat/flux/tally <compute_tally>`
+   * :doc:`hexorder/atom <compute_hexorder_atom>`
+   * :doc:`hma <compute_hma>`
+   * :doc:`improper <compute_improper>`
+   * :doc:`improper/local <compute_improper_local>`
+   * :doc:`inertia/chunk <compute_inertia_chunk>`
+   * :doc:`ke <compute_ke>`
+   * :doc:`ke/atom <compute_ke_atom>`
+   * :doc:`ke/atom/eff <compute_ke_atom_eff>`
+   * :doc:`ke/eff <compute_ke_eff>`
+   * :doc:`ke/rigid <compute_ke_rigid>`
+   * :doc:`meso/e/atom <compute_meso_e_atom>`
+   * :doc:`meso/rho/atom <compute_meso_rho_atom>`
+   * :doc:`meso/t/atom <compute_meso_t_atom>`
+   * :doc:`momentum <compute_momentum>`
+   * :doc:`msd <compute_msd>`
+   * :doc:`msd/chunk <compute_msd_chunk>`
+   * :doc:`msd/nongauss <compute_msd_nongauss>`
+   * :doc:`omega/chunk <compute_omega_chunk>`
+   * :doc:`orientorder/atom <compute_orientorder_atom>`
+   * :doc:`pair <compute_pair>`
+   * :doc:`pair/local <compute_pair_local>`
+   * :doc:`pe <compute_pe>`
+   * :doc:`pe/atom <compute_pe_atom>`
+   * :doc:`pe/mol/tally <compute_tally>`
+   * :doc:`pe/tally <compute_tally>`
+   * :doc:`plasticity/atom <compute_plasticity_atom>`
+   * :doc:`pressure <compute_pressure>`
+   * :doc:`pressure/cylinder <compute_pressure_cylinder>`
+   * :doc:`pressure/uef <compute_pressure_uef>`
+   * :doc:`property/atom <compute_property_atom>`
+   * :doc:`property/chunk <compute_property_chunk>`
+   * :doc:`property/local <compute_property_local>`
+   * :doc:`ptm/atom <compute_ptm_atom>`
+   * :doc:`rdf <compute_rdf>`
+   * :doc:`reduce <compute_reduce>`
+   * :doc:`reduce/chunk <compute_reduce_chunk>`
+   * :doc:`reduce/region <compute_reduce>`
+   * :doc:`rigid/local <compute_rigid_local>`
+   * :doc:`saed <compute_saed>`
+   * :doc:`slice <compute_slice>`
+   * :doc:`smd/contact/radius <compute_smd_contact_radius>`
+   * :doc:`smd/damage <compute_smd_damage>`
+   * :doc:`smd/hourglass/error <compute_smd_hourglass_error>`
+   * :doc:`smd/internal/energy <compute_smd_internal_energy>`
+   * :doc:`smd/plastic/strain <compute_smd_plastic_strain>`
+   * :doc:`smd/plastic/strain/rate <compute_smd_plastic_strain_rate>`
+   * :doc:`smd/rho <compute_smd_rho>`
+   * :doc:`smd/tlsph/defgrad <compute_smd_tlsph_defgrad>`
+   * :doc:`smd/tlsph/dt <compute_smd_tlsph_dt>`
+   * :doc:`smd/tlsph/num/neighs <compute_smd_tlsph_num_neighs>`
+   * :doc:`smd/tlsph/shape <compute_smd_tlsph_shape>`
+   * :doc:`smd/tlsph/strain <compute_smd_tlsph_strain>`
+   * :doc:`smd/tlsph/strain/rate <compute_smd_tlsph_strain_rate>`
+   * :doc:`smd/tlsph/stress <compute_smd_tlsph_stress>`
+   * :doc:`smd/triangle/vertices <compute_smd_triangle_vertices>`
+   * :doc:`smd/ulsph/num/neighs <compute_smd_ulsph_num_neighs>`
+   * :doc:`smd/ulsph/strain <compute_smd_ulsph_strain>`
+   * :doc:`smd/ulsph/strain/rate <compute_smd_ulsph_strain_rate>`
+   * :doc:`smd/ulsph/stress <compute_smd_ulsph_stress>`
+   * :doc:`smd/vol <compute_smd_vol>`
+   * :doc:`snap <compute_sna_atom>`
+   * :doc:`sna/atom <compute_sna_atom>`
+   * :doc:`snad/atom <compute_sna_atom>`
+   * :doc:`snav/atom <compute_sna_atom>`
+   * :doc:`spin <compute_spin>`
+   * :doc:`stress/atom <compute_stress_atom>`
+   * :doc:`stress/mop <compute_stress_mop>`
+   * :doc:`stress/mop/profile <compute_stress_mop>`
+   * :doc:`stress/tally <compute_tally>`
+   * :doc:`tdpd/cc/atom <compute_tdpd_cc_atom>`
+   * :doc:`temp (k) <compute_temp>`
+   * :doc:`temp/asphere <compute_temp_asphere>`
+   * :doc:`temp/body <compute_temp_body>`
+   * :doc:`temp/chunk <compute_temp_chunk>`
+   * :doc:`temp/com <compute_temp_com>`
+   * :doc:`temp/cs <compute_temp_cs>`
+   * :doc:`temp/deform <compute_temp_deform>`
+   * :doc:`temp/deform/eff <compute_temp_deform_eff>`
+   * :doc:`temp/drude <compute_temp_drude>`
+   * :doc:`temp/eff <compute_temp_eff>`
+   * :doc:`temp/partial <compute_temp_partial>`
+   * :doc:`temp/profile <compute_temp_profile>`
+   * :doc:`temp/ramp <compute_temp_ramp>`
+   * :doc:`temp/region <compute_temp_region>`
+   * :doc:`temp/region/eff <compute_temp_region_eff>`
+   * :doc:`temp/rotate <compute_temp_rotate>`
+   * :doc:`temp/sphere <compute_temp_sphere>`
+   * :doc:`temp/uef <compute_temp_uef>`
+   * :doc:`ti <compute_ti>`
+   * :doc:`torque/chunk <compute_torque_chunk>`
+   * :doc:`vacf <compute_vacf>`
+   * :doc:`vcm/chunk <compute_vcm_chunk>`
+   * :doc:`voronoi/atom <compute_voronoi_atom>`
+   * :doc:`xrd <compute_xrd>`
+   *
+   *
+   *
diff --git a/doc/src/Commands_fix.rst b/doc/src/Commands_fix.rst
index cb9afd3497..4cd9a4487c 100644
--- a/doc/src/Commands_fix.rst
+++ b/doc/src/Commands_fix.rst
@@ -1,10 +1,15 @@
-+----------------------------------------+------------------------------------+------------------------------------------+
-| :doc:`General commands <Commands_all>` | :doc:`Fix styles <Commands_fix>`   | :doc:`Compute styles <Commands_compute>` |
-+----------------------------------------+------------------------------------+------------------------------------------+
-| :doc:`Pair styles <Commands_pair>`     | :doc:`Bond styles <Commands_bond>` | :ref:`Angle styles <angle>`              |
-+----------------------------------------+------------------------------------+------------------------------------------+
-| :ref:`Dihedral styles <dihedral>`      | :ref:`Improper styles <improper>`  | :doc:`KSpace styles <Commands_kspace>`   |
-+----------------------------------------+------------------------------------+------------------------------------------+
+.. table_from_list::
+   :columns: 3
+
+   * :doc:`General commands <Commands_all>`
+   * :doc:`Fix styles <Commands_fix>`
+   * :doc:`Compute styles <Commands_compute>`
+   * :doc:`Pair styles <Commands_pair>`
+   * :ref:`Bond styles <bond>`
+   * :ref:`Angle styles <angle>`
+   * :ref:`Dihedral styles <dihedral>`
+   * :ref:`Improper styles <improper>`
+   * :doc:`KSpace styles <Commands_kspace>`
 
 Fix commands
 ============
@@ -14,81 +19,222 @@ have accelerated versions.  This is indicated by additional letters in
 parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t =
 OPT.
 
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`adapt <fix_adapt>`                         | :doc:`adapt/fep <fix_adapt_fep>`                       | :doc:`addforce <fix_addforce>`                        | :doc:`addtorque <fix_addtorque>`                       | :doc:`append/atoms <fix_append_atoms>`                         | :doc:`atc <fix_atc>`                           |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`atom/swap <fix_atom_swap>`                 | :doc:`ave/atom <fix_ave_atom>`                         | :doc:`ave/chunk <fix_ave_chunk>`                      | :doc:`ave/correlate <fix_ave_correlate>`               | :doc:`ave/correlate/long <fix_ave_correlate_long>`             | :doc:`ave/histo <fix_ave_histo>`               |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`ave/histo/weight <fix_ave_histo>`          | :doc:`ave/time <fix_ave_time>`                         | :doc:`aveforce <fix_aveforce>`                        | :doc:`balance <fix_balance>`                           | :doc:`bocs <fix_bocs>`                                         | :doc:`bond/break <fix_bond_break>`             |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`bond/create <fix_bond_create>`             | :doc:`bond/react <fix_bond_react>`                     | :doc:`bond/swap <fix_bond_swap>`                      | :doc:`box/relax <fix_box_relax>`                       | :doc:`client/md <fix_client_md>`                               | :doc:`cmap <fix_cmap>`                         |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`colvars <fix_colvars>`                     | :doc:`controller <fix_controller>`                     | :doc:`deform (k) <fix_deform>`                        | :doc:`deposit <fix_deposit>`                           | :doc:`dpd/energy (k) <fix_dpd_energy>`                         | :doc:`drag <fix_drag>`                         |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`drude <fix_drude>`                         | :doc:`drude/transform/direct <fix_drude_transform>`    | :doc:`drude/transform/inverse <fix_drude_transform>`  | :doc:`dt/reset <fix_dt_reset>`                         | :doc:`edpd/source <fix_dpd_source>`                            | :doc:`efield <fix_efield>`                     |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`ehex <fix_ehex>`                           | :doc:`electron/stopping <fix_electron_stopping>`       | :doc:`enforce2d (k) <fix_enforce2d>`                  | :doc:`eos/cv <fix_eos_cv>`                             | :doc:`eos/table <fix_eos_table>`                               | :doc:`eos/table/rx (k) <fix_eos_table_rx>`     |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`evaporate <fix_evaporate>`                 | :doc:`external <fix_external>`                         | :doc:`ffl <fix_ffl>`                                  | :doc:`filter/corotate <fix_filter_corotate>`           | :doc:`flow/gauss <fix_flow_gauss>`                             | :doc:`freeze (k) <fix_freeze>`                 |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`gcmc <fix_gcmc>`                           | :doc:`gld <fix_gld>`                                   | :doc:`gle <fix_gle>`                                  | :doc:`gravity (ko) <fix_gravity>`                      | :doc:`grem <fix_grem>`                                         | :doc:`halt <fix_halt>`                         |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`heat <fix_heat>`                           | :doc:`hyper/global <fix_hyper_global>`                 | :doc:`hyper/local <fix_hyper_local>`                  | :doc:`imd <fix_imd>`                                   | :doc:`indent <fix_indent>`                                     | :doc:`ipi <fix_ipi>`                           |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`langevin (k) <fix_langevin>`               | :doc:`langevin/drude <fix_langevin_drude>`             | :doc:`langevin/eff <fix_langevin_eff>`                | :doc:`langevin/spin <fix_langevin_spin>`               | :doc:`latte <fix_latte>`                                       | :doc:`lb/fluid <fix_lb_fluid>`                 |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`lb/momentum <fix_lb_momentum>`             | :doc:`lb/pc <fix_lb_pc>`                               | :doc:`lb/rigid/pc/sphere <fix_lb_rigid_pc_sphere>`    | :doc:`lb/viscous <fix_lb_viscous>`                     | :doc:`lineforce <fix_lineforce>`                               | :doc:`manifoldforce <fix_manifoldforce>`       |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`meso <fix_meso>`                           | :doc:`meso/move <fix_meso_move>`                       | :doc:`meso/stationary <fix_meso_stationary>`          | :doc:`momentum (k) <fix_momentum>`                     | :doc:`move <fix_move>`                                         | :doc:`mscg <fix_mscg>`                         |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`msst <fix_msst>`                           | :doc:`mvv/dpd <fix_mvv_dpd>`                           | :doc:`mvv/edpd <fix_mvv_dpd>`                         | :doc:`mvv/tdpd <fix_mvv_dpd>`                          | :doc:`neb <fix_neb>`                                           | :doc:`neb\_spin <fix_neb_spin>`                |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`nph (ko) <fix_nh>`                         | :doc:`nph/asphere (o) <fix_nph_asphere>`               | :doc:`nph/body <fix_nph_body>`                        | :doc:`nph/eff <fix_nh_eff>`                            | :doc:`nph/sphere (o) <fix_nph_sphere>`                         | :doc:`nphug (o) <fix_nphug>`                   |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`npt (iko) <fix_nh>`                        | :doc:`npt/asphere (o) <fix_npt_asphere>`               | :doc:`npt/body <fix_npt_body>`                        | :doc:`npt/eff <fix_nh_eff>`                            | :doc:`npt/sphere (o) <fix_npt_sphere>`                         | :doc:`npt/uef <fix_nh_uef>`                    |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`nve (iko) <fix_nve>`                       | :doc:`nve/asphere (i) <fix_nve_asphere>`               | :doc:`nve/asphere/noforce <fix_nve_asphere_noforce>`  | :doc:`nve/awpmd <fix_nve_awpmd>`                       | :doc:`nve/body <fix_nve_body>`                                 | :doc:`nve/dot <fix_nve_dot>`                   |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`nve/dotc/langevin <fix_nve_dotc_langevin>` | :doc:`nve/eff <fix_nve_eff>`                           | :doc:`nve/limit <fix_nve_limit>`                      | :doc:`nve/line <fix_nve_line>`                         | :doc:`nve/manifold/rattle <fix_nve_manifold_rattle>`           | :doc:`nve/noforce <fix_nve_noforce>`           |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`nve/sphere (ko) <fix_nve_sphere>`          | :doc:`nve/spin <fix_nve_spin>`                         | :doc:`nve/tri <fix_nve_tri>`                          | :doc:`nvk <fix_nvk>`                                   | :doc:`nvt (iko) <fix_nh>`                                      | :doc:`nvt/asphere (o) <fix_nvt_asphere>`       |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`nvt/body <fix_nvt_body>`                   | :doc:`nvt/eff <fix_nh_eff>`                            | :doc:`nvt/manifold/rattle <fix_nvt_manifold_rattle>`  | :doc:`nvt/sllod (io) <fix_nvt_sllod>`                  | :doc:`nvt/sllod/eff <fix_nvt_sllod_eff>`                       | :doc:`nvt/sphere (o) <fix_nvt_sphere>`         |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`nvt/uef <fix_nh_uef>`                      | :doc:`oneway <fix_oneway>`                             | :doc:`orient/bcc <fix_orient>`                        | :doc:`orient/fcc <fix_orient>`                         | :doc:`phonon <fix_phonon>`                                     | :doc:`pimd <fix_pimd>`                         |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`planeforce <fix_planeforce>`               | :doc:`plumed <fix_plumed>`                             | :doc:`poems <fix_poems>`                              | :doc:`pour <fix_pour>`                                 | :doc:`precession/spin <fix_precession_spin>`                   | :doc:`press/berendsen <fix_press_berendsen>`   |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`print <fix_print>`                         | :doc:`property/atom (k) <fix_property_atom>`           | :doc:`python/invoke <fix_python_invoke>`              | :doc:`python/move <fix_python_move>`                   | :doc:`qbmsst <fix_qbmsst>`                                     | :doc:`qeq/comb (o) <fix_qeq_comb>`             |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`qeq/dynamic <fix_qeq>`                     | :doc:`qeq/fire <fix_qeq>`                              | :doc:`qeq/point <fix_qeq>`                            | :doc:`qeq/reax (ko) <fix_qeq_reax>`                    | :doc:`qeq/shielded <fix_qeq>`                                  | :doc:`qeq/slater <fix_qeq>`                    |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`qmmm <fix_qmmm>`                           | :doc:`qtb <fix_qtb>`                                   | :doc:`rattle <fix_shake>`                             | :doc:`reax/c/bonds (k) <fix_reaxc_bonds>`              | :doc:`reax/c/species (k) <fix_reaxc_species>`                  | :doc:`recenter <fix_recenter>`                 |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`restrain <fix_restrain>`                   | :doc:`rhok <fix_rhok>`                                 | :doc:`rigid (o) <fix_rigid>`                          | :doc:`rigid/meso <fix_rigid_meso>`                     | :doc:`rigid/nph (o) <fix_rigid>`                               | :doc:`rigid/nph/small <fix_rigid>`             |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`rigid/npt (o) <fix_rigid>`                 | :doc:`rigid/npt/small <fix_rigid>`                     | :doc:`rigid/nve (o) <fix_rigid>`                      | :doc:`rigid/nve/small <fix_rigid>`                     | :doc:`rigid/nvt (o) <fix_rigid>`                               | :doc:`rigid/nvt/small <fix_rigid>`             |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`rigid/small (o) <fix_rigid>`               | :doc:`rx (k) <fix_rx>`                                 | :doc:`saed/vtk <fix_saed_vtk>`                        | :doc:`setforce (k) <fix_setforce>`                     | :doc:`shake <fix_shake>`                                       | :doc:`shardlow (k) <fix_shardlow>`             |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`smd <fix_smd>`                             | :doc:`smd/adjust\_dt <fix_smd_adjust_dt>`              | :doc:`smd/integrate\_tlsph <fix_smd_integrate_tlsph>` | :doc:`smd/integrate\_ulsph <fix_smd_integrate_ulsph>`  | :doc:`smd/move\_tri\_surf <fix_smd_move_triangulated_surface>` | :doc:`smd/setvel <fix_smd_setvel>`             |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`smd/wall\_surface <fix_smd_wall_surface>`  | :doc:`spring <fix_spring>`                             | :doc:`spring/chunk <fix_spring_chunk>`                | :doc:`spring/rg <fix_spring_rg>`                       | :doc:`spring/self <fix_spring_self>`                           | :doc:`srd <fix_srd>`                           |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`store/force <fix_store_force>`             | :doc:`store/state <fix_store_state>`                   | :doc:`tdpd/source <fix_dpd_source>`                   | :doc:`temp/berendsen <fix_temp_berendsen>`             | :doc:`temp/csld <fix_temp_csvr>`                               | :doc:`temp/csvr <fix_temp_csvr>`               |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`temp/rescale <fix_temp_rescale>`           | :doc:`temp/rescale/eff <fix_temp_rescale_eff>`         | :doc:`tfmc <fix_tfmc>`                                | :doc:`thermal/conductivity <fix_thermal_conductivity>` | :doc:`ti/spring <fix_ti_spring>`                               | :doc:`tmd <fix_tmd>`                           |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`ttm <fix_ttm>`                             | :doc:`ttm/mod <fix_ttm>`                               | :doc:`tune/kspace <fix_tune_kspace>`                  | :doc:`vector <fix_vector>`                             | :doc:`viscosity <fix_viscosity>`                               | :doc:`viscous <fix_viscous>`                   |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`wall/body/polygon <fix_wall_body_polygon>` | :doc:`wall/body/polyhedron <fix_wall_body_polyhedron>` | :doc:`wall/colloid <fix_wall>`                        | :doc:`wall/ees <fix_wall_ees>`                         | :doc:`wall/gran <fix_wall_gran>`                               | :doc:`wall/gran/region <fix_wall_gran_region>` |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`wall/harmonic <fix_wall>`                  | :doc:`wall/lj1043 <fix_wall>`                          | :doc:`wall/lj126 <fix_wall>`                          | :doc:`wall/lj93 (k) <fix_wall>`                        | :doc:`wall/morse <fix_wall>`                                   | :doc:`wall/piston <fix_wall_piston>`           |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
-| :doc:`wall/reflect (k) <fix_wall_reflect>`       | :doc:`wall/region <fix_wall_region>`                   | :doc:`wall/region/ees <fix_wall_ees>`                 | :doc:`wall/srd <fix_wall_srd>`                         |                                                                |                                                |
-+--------------------------------------------------+--------------------------------------------------------+-------------------------------------------------------+--------------------------------------------------------+----------------------------------------------------------------+------------------------------------------------+
+.. table_from_list::
+   :columns: 6
 
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
+   * :doc:`adapt <fix_adapt>`
+   * :doc:`adapt/fep <fix_adapt_fep>`
+   * :doc:`addforce <fix_addforce>`
+   * :doc:`addtorque <fix_addtorque>`
+   * :doc:`append/atoms <fix_append_atoms>`
+   * :doc:`atc <fix_atc>`
+   * :doc:`atom/swap <fix_atom_swap>`
+   * :doc:`ave/atom <fix_ave_atom>`
+   * :doc:`ave/chunk <fix_ave_chunk>`
+   * :doc:`ave/correlate <fix_ave_correlate>`
+   * :doc:`ave/correlate/long <fix_ave_correlate_long>`
+   * :doc:`ave/histo <fix_ave_histo>`
+   * :doc:`ave/histo/weight <fix_ave_histo>`
+   * :doc:`ave/time <fix_ave_time>`
+   * :doc:`aveforce <fix_aveforce>`
+   * :doc:`balance <fix_balance>`
+   * :doc:`bocs <fix_bocs>`
+   * :doc:`bond/break <fix_bond_break>`
+   * :doc:`bond/create <fix_bond_create>`
+   * :doc:`bond/react <fix_bond_react>`
+   * :doc:`bond/swap <fix_bond_swap>`
+   * :doc:`box/relax <fix_box_relax>`
+   * :doc:`client/md <fix_client_md>`
+   * :doc:`cmap <fix_cmap>`
+   * :doc:`colvars <fix_colvars>`
+   * :doc:`controller <fix_controller>`
+   * :doc:`deform (k) <fix_deform>`
+   * :doc:`deposit <fix_deposit>`
+   * :doc:`dpd/energy (k) <fix_dpd_energy>`
+   * :doc:`drag <fix_drag>`
+   * :doc:`drude <fix_drude>`
+   * :doc:`drude/transform/direct <fix_drude_transform>`
+   * :doc:`drude/transform/inverse <fix_drude_transform>`
+   * :doc:`dt/reset <fix_dt_reset>`
+   * :doc:`edpd/source <fix_dpd_source>`
+   * :doc:`efield <fix_efield>`
+   * :doc:`ehex <fix_ehex>`
+   * :doc:`electron/stopping <fix_electron_stopping>`
+   * :doc:`enforce2d (k) <fix_enforce2d>`
+   * :doc:`eos/cv <fix_eos_cv>`
+   * :doc:`eos/table <fix_eos_table>`
+   * :doc:`eos/table/rx (k) <fix_eos_table_rx>`
+   * :doc:`evaporate <fix_evaporate>`
+   * :doc:`external <fix_external>`
+   * :doc:`ffl <fix_ffl>`
+   * :doc:`filter/corotate <fix_filter_corotate>`
+   * :doc:`flow/gauss <fix_flow_gauss>`
+   * :doc:`freeze (k) <fix_freeze>`
+   * :doc:`gcmc <fix_gcmc>`
+   * :doc:`gld <fix_gld>`
+   * :doc:`gle <fix_gle>`
+   * :doc:`gravity (ko) <fix_gravity>`
+   * :doc:`grem <fix_grem>`
+   * :doc:`halt <fix_halt>`
+   * :doc:`heat <fix_heat>`
+   * :doc:`hyper/global <fix_hyper_global>`
+   * :doc:`hyper/local <fix_hyper_local>`
+   * :doc:`imd <fix_imd>`
+   * :doc:`indent <fix_indent>`
+   * :doc:`ipi <fix_ipi>`
+   * :doc:`langevin (k) <fix_langevin>`
+   * :doc:`langevin/drude <fix_langevin_drude>`
+   * :doc:`langevin/eff <fix_langevin_eff>`
+   * :doc:`langevin/spin <fix_langevin_spin>`
+   * :doc:`latte <fix_latte>`
+   * :doc:`lb/fluid <fix_lb_fluid>`
+   * :doc:`lb/momentum <fix_lb_momentum>`
+   * :doc:`lb/pc <fix_lb_pc>`
+   * :doc:`lb/rigid/pc/sphere <fix_lb_rigid_pc_sphere>`
+   * :doc:`lb/viscous <fix_lb_viscous>`
+   * :doc:`lineforce <fix_lineforce>`
+   * :doc:`manifoldforce <fix_manifoldforce>`
+   * :doc:`meso <fix_meso>`
+   * :doc:`meso/move <fix_meso_move>`
+   * :doc:`meso/stationary <fix_meso_stationary>`
+   * :doc:`momentum (k) <fix_momentum>`
+   * :doc:`move <fix_move>`
+   * :doc:`mscg <fix_mscg>`
+   * :doc:`msst <fix_msst>`
+   * :doc:`mvv/dpd <fix_mvv_dpd>`
+   * :doc:`mvv/edpd <fix_mvv_dpd>`
+   * :doc:`mvv/tdpd <fix_mvv_dpd>`
+   * :doc:`neb <fix_neb>`
+   * :doc:`neb\_spin <fix_neb_spin>`
+   * :doc:`nph (ko) <fix_nh>`
+   * :doc:`nph/asphere (o) <fix_nph_asphere>`
+   * :doc:`nph/body <fix_nph_body>`
+   * :doc:`nph/eff <fix_nh_eff>`
+   * :doc:`nph/sphere (o) <fix_nph_sphere>`
+   * :doc:`nphug (o) <fix_nphug>`
+   * :doc:`npt (iko) <fix_nh>`
+   * :doc:`npt/asphere (o) <fix_npt_asphere>`
+   * :doc:`npt/body <fix_npt_body>`
+   * :doc:`npt/eff <fix_nh_eff>`
+   * :doc:`npt/sphere (o) <fix_npt_sphere>`
+   * :doc:`npt/uef <fix_nh_uef>`
+   * :doc:`nve (iko) <fix_nve>`
+   * :doc:`nve/asphere (i) <fix_nve_asphere>`
+   * :doc:`nve/asphere/noforce <fix_nve_asphere_noforce>`
+   * :doc:`nve/awpmd <fix_nve_awpmd>`
+   * :doc:`nve/body <fix_nve_body>`
+   * :doc:`nve/dot <fix_nve_dot>`
+   * :doc:`nve/dotc/langevin <fix_nve_dotc_langevin>`
+   * :doc:`nve/eff <fix_nve_eff>`
+   * :doc:`nve/limit <fix_nve_limit>`
+   * :doc:`nve/line <fix_nve_line>`
+   * :doc:`nve/manifold/rattle <fix_nve_manifold_rattle>`
+   * :doc:`nve/noforce <fix_nve_noforce>`
+   * :doc:`nve/sphere (ko) <fix_nve_sphere>`
+   * :doc:`nve/spin <fix_nve_spin>`
+   * :doc:`nve/tri <fix_nve_tri>`
+   * :doc:`nvk <fix_nvk>`
+   * :doc:`nvt (iko) <fix_nh>`
+   * :doc:`nvt/asphere (o) <fix_nvt_asphere>`
+   * :doc:`nvt/body <fix_nvt_body>`
+   * :doc:`nvt/eff <fix_nh_eff>`
+   * :doc:`nvt/manifold/rattle <fix_nvt_manifold_rattle>`
+   * :doc:`nvt/sllod (io) <fix_nvt_sllod>`
+   * :doc:`nvt/sllod/eff <fix_nvt_sllod_eff>`
+   * :doc:`nvt/sphere (o) <fix_nvt_sphere>`
+   * :doc:`nvt/uef <fix_nh_uef>`
+   * :doc:`oneway <fix_oneway>`
+   * :doc:`orient/bcc <fix_orient>`
+   * :doc:`orient/fcc <fix_orient>`
+   * :doc:`phonon <fix_phonon>`
+   * :doc:`pimd <fix_pimd>`
+   * :doc:`planeforce <fix_planeforce>`
+   * :doc:`plumed <fix_plumed>`
+   * :doc:`poems <fix_poems>`
+   * :doc:`pour <fix_pour>`
+   * :doc:`precession/spin <fix_precession_spin>`
+   * :doc:`press/berendsen <fix_press_berendsen>`
+   * :doc:`print <fix_print>`
+   * :doc:`property/atom (k) <fix_property_atom>`
+   * :doc:`python/invoke <fix_python_invoke>`
+   * :doc:`python/move <fix_python_move>`
+   * :doc:`qbmsst <fix_qbmsst>`
+   * :doc:`qeq/comb (o) <fix_qeq_comb>`
+   * :doc:`qeq/dynamic <fix_qeq>`
+   * :doc:`qeq/fire <fix_qeq>`
+   * :doc:`qeq/point <fix_qeq>`
+   * :doc:`qeq/reax (ko) <fix_qeq_reax>`
+   * :doc:`qeq/shielded <fix_qeq>`
+   * :doc:`qeq/slater <fix_qeq>`
+   * :doc:`qmmm <fix_qmmm>`
+   * :doc:`qtb <fix_qtb>`
+   * :doc:`rattle <fix_shake>`
+   * :doc:`reax/c/bonds (k) <fix_reaxc_bonds>`
+   * :doc:`reax/c/species (k) <fix_reaxc_species>`
+   * :doc:`recenter <fix_recenter>`
+   * :doc:`restrain <fix_restrain>`
+   * :doc:`rhok <fix_rhok>`
+   * :doc:`rigid (o) <fix_rigid>`
+   * :doc:`rigid/meso <fix_rigid_meso>`
+   * :doc:`rigid/nph (o) <fix_rigid>`
+   * :doc:`rigid/nph/small <fix_rigid>`
+   * :doc:`rigid/npt (o) <fix_rigid>`
+   * :doc:`rigid/npt/small <fix_rigid>`
+   * :doc:`rigid/nve (o) <fix_rigid>`
+   * :doc:`rigid/nve/small <fix_rigid>`
+   * :doc:`rigid/nvt (o) <fix_rigid>`
+   * :doc:`rigid/nvt/small <fix_rigid>`
+   * :doc:`rigid/small (o) <fix_rigid>`
+   * :doc:`rx (k) <fix_rx>`
+   * :doc:`saed/vtk <fix_saed_vtk>`
+   * :doc:`setforce (k) <fix_setforce>`
+   * :doc:`shake <fix_shake>`
+   * :doc:`shardlow (k) <fix_shardlow>`
+   * :doc:`smd <fix_smd>`
+   * :doc:`smd/adjust\_dt <fix_smd_adjust_dt>`
+   * :doc:`smd/integrate\_tlsph <fix_smd_integrate_tlsph>`
+   * :doc:`smd/integrate\_ulsph <fix_smd_integrate_ulsph>`
+   * :doc:`smd/move\_tri\_surf <fix_smd_move_triangulated_surface>`
+   * :doc:`smd/setvel <fix_smd_setvel>`
+   * :doc:`smd/wall\_surface <fix_smd_wall_surface>`
+   * :doc:`spring <fix_spring>`
+   * :doc:`spring/chunk <fix_spring_chunk>`
+   * :doc:`spring/rg <fix_spring_rg>`
+   * :doc:`spring/self <fix_spring_self>`
+   * :doc:`srd <fix_srd>`
+   * :doc:`store/force <fix_store_force>`
+   * :doc:`store/state <fix_store_state>`
+   * :doc:`tdpd/source <fix_dpd_source>`
+   * :doc:`temp/berendsen <fix_temp_berendsen>`
+   * :doc:`temp/csld <fix_temp_csvr>`
+   * :doc:`temp/csvr <fix_temp_csvr>`
+   * :doc:`temp/rescale <fix_temp_rescale>`
+   * :doc:`temp/rescale/eff <fix_temp_rescale_eff>`
+   * :doc:`tfmc <fix_tfmc>`
+   * :doc:`thermal/conductivity <fix_thermal_conductivity>`
+   * :doc:`ti/spring <fix_ti_spring>`
+   * :doc:`tmd <fix_tmd>`
+   * :doc:`ttm <fix_ttm>`
+   * :doc:`ttm/mod <fix_ttm>`
+   * :doc:`tune/kspace <fix_tune_kspace>`
+   * :doc:`vector <fix_vector>`
+   * :doc:`viscosity <fix_viscosity>`
+   * :doc:`viscous <fix_viscous>`
+   * :doc:`wall/body/polygon <fix_wall_body_polygon>`
+   * :doc:`wall/body/polyhedron <fix_wall_body_polyhedron>`
+   * :doc:`wall/colloid <fix_wall>`
+   * :doc:`wall/ees <fix_wall_ees>`
+   * :doc:`wall/gran <fix_wall_gran>`
+   * :doc:`wall/gran/region <fix_wall_gran_region>`
+   * :doc:`wall/harmonic <fix_wall>`
+   * :doc:`wall/lj1043 <fix_wall>`
+   * :doc:`wall/lj126 <fix_wall>`
+   * :doc:`wall/lj93 (k) <fix_wall>`
+   * :doc:`wall/morse <fix_wall>`
+   * :doc:`wall/piston <fix_wall_piston>`
+   * :doc:`wall/reflect (k) <fix_wall_reflect>`
+   * :doc:`wall/region <fix_wall_region>`
+   * :doc:`wall/region/ees <fix_wall_ees>`
+   * :doc:`wall/srd <fix_wall_srd>`
+   *
+   *
diff --git a/doc/src/Commands_input.rst b/doc/src/Commands_input.rst
index ce93f65d81..c66b530dd0 100644
--- a/doc/src/Commands_input.rst
+++ b/doc/src/Commands_input.rst
@@ -55,8 +55,3 @@ Many input script errors are detected by LAMMPS and an ERROR or
 WARNING message is printed.  The :doc:`Errors <Errors>` doc page gives
 more information on what errors mean.  The documentation for each
 command lists restrictions on how the command can be used.
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/Commands_kspace.rst b/doc/src/Commands_kspace.rst
index 9281c54ddd..fc2418ecf7 100644
--- a/doc/src/Commands_kspace.rst
+++ b/doc/src/Commands_kspace.rst
@@ -1,10 +1,15 @@
-+----------------------------------------+------------------------------------+------------------------------------------+
-| :doc:`General commands <Commands_all>` | :doc:`Fix styles <Commands_fix>`   | :doc:`Compute styles <Commands_compute>` |
-+----------------------------------------+------------------------------------+------------------------------------------+
-| :doc:`Pair styles <Commands_pair>`     | :doc:`Bond styles <Commands_bond>` | :ref:`Angle styles <angle>`              |
-+----------------------------------------+------------------------------------+------------------------------------------+
-| :ref:`Dihedral styles <dihedral>`      | :ref:`Improper styles <improper>`  | :doc:`KSpace styles <Commands_kspace>`   |
-+----------------------------------------+------------------------------------+------------------------------------------+
+.. table_from_list::
+   :columns: 3
+
+   * :doc:`General commands <Commands_all>`
+   * :doc:`Fix styles <Commands_fix>`
+   * :doc:`Compute styles <Commands_compute>`
+   * :doc:`Pair styles <Commands_pair>`
+   * :ref:`Bond styles <bond>`
+   * :ref:`Angle styles <angle>`
+   * :ref:`Dihedral styles <dihedral>`
+   * :ref:`Improper styles <improper>`
+   * :doc:`KSpace styles <Commands_kspace>`
 
 KSpace solvers
 ==============
@@ -14,15 +19,18 @@ accelerated versions.  This is indicated by additional letters in
 parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t =
 OPT.
 
-+------------------------------------+--------------------------------------+-------------------------------------+---------------------------------------+
-| :doc:`ewald (o) <kspace_style>`    | :doc:`ewald/disp <kspace_style>`     | :doc:`msm (o) <kspace_style>`       | :doc:`msm/cg (o) <kspace_style>`      |
-+------------------------------------+--------------------------------------+-------------------------------------+---------------------------------------+
-| :doc:`pppm (gok) <kspace_style>`   | :doc:`pppm/cg (o) <kspace_style>`    | :doc:`pppm/disp (i) <kspace_style>` | :doc:`pppm/disp/tip4p <kspace_style>` |
-+------------------------------------+--------------------------------------+-------------------------------------+---------------------------------------+
-| :doc:`pppm/stagger <kspace_style>` | :doc:`pppm/tip4p (o) <kspace_style>` | :doc:`scafacos <kspace_style>`      |                                       |
-+------------------------------------+--------------------------------------+-------------------------------------+---------------------------------------+
+.. table_from_list::
+   :columns: 4
 
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
+   * :doc:`ewald (o) <kspace_style>`
+   * :doc:`ewald/disp <kspace_style>`
+   * :doc:`msm (o) <kspace_style>`
+   * :doc:`msm/cg (o) <kspace_style>`
+   * :doc:`pppm (gok) <kspace_style>`
+   * :doc:`pppm/cg (o) <kspace_style>`
+   * :doc:`pppm/disp (i) <kspace_style>`
+   * :doc:`pppm/disp/tip4p <kspace_style>`
+   * :doc:`pppm/stagger <kspace_style>`
+   * :doc:`pppm/tip4p (o) <kspace_style>`
+   * :doc:`scafacos <kspace_style>`
+   *
diff --git a/doc/src/Commands_pair.rst b/doc/src/Commands_pair.rst
index d5ed86886a..b4371420a7 100644
--- a/doc/src/Commands_pair.rst
+++ b/doc/src/Commands_pair.rst
@@ -1,10 +1,15 @@
-+----------------------------------------+------------------------------------+------------------------------------------+
-| :doc:`General commands <Commands_all>` | :doc:`Fix styles <Commands_fix>`   | :doc:`Compute styles <Commands_compute>` |
-+----------------------------------------+------------------------------------+------------------------------------------+
-| :doc:`Pair styles <Commands_pair>`     | :doc:`Bond styles <Commands_bond>` | :ref:`Angle styles <angle>`              |
-+----------------------------------------+------------------------------------+------------------------------------------+
-| :ref:`Dihedral styles <dihedral>`      | :ref:`Improper styles <improper>`  | :doc:`KSpace styles <Commands_kspace>`   |
-+----------------------------------------+------------------------------------+------------------------------------------+
+.. table_from_list::
+   :columns: 3
+
+   * :doc:`General commands <Commands_all>`
+   * :doc:`Fix styles <Commands_fix>`
+   * :doc:`Compute styles <Commands_compute>`
+   * :doc:`Pair styles <Commands_pair>`
+   * :ref:`Bond styles <bond>`
+   * :ref:`Angle styles <angle>`
+   * :ref:`Dihedral styles <dihedral>`
+   * :ref:`Improper styles <improper>`
+   * :doc:`KSpace styles <Commands_kspace>`
 
 Pair\_style potentials
 ======================
@@ -14,123 +19,234 @@ accelerated versions.  This is indicated by additional letters in
 parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t =
 OPT.
 
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`none <pair_none>`                                      | :doc:`zero <pair_zero>`                                           | :doc:`hybrid (k) <pair_hybrid>`                     | :doc:`hybrid/overlay (k) <pair_hybrid>`                     |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-|                                                              |                                                                   |                                                     |                                                             |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`adp (o) <pair_adp>`                                    | :doc:`agni (o) <pair_agni>`                                       | :doc:`airebo (io) <pair_airebo>`                    | :doc:`airebo/morse (io) <pair_airebo>`                      |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`atm <pair_atm>`                                        | :doc:`awpmd/cut <pair_awpmd>`                                     | :doc:`beck (go) <pair_beck>`                        | :doc:`body/nparticle <pair_body_nparticle>`                 |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`body/rounded/polygon <pair_body_rounded_polygon>`      | :doc:`body/rounded/polyhedron <pair_body_rounded_polyhedron>`     | :doc:`bop <pair_bop>`                               | :doc:`born (go) <pair_born>`                                |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`born/coul/dsf <pair_born>`                             | :doc:`born/coul/dsf/cs <pair_cs>`                                 | :doc:`born/coul/long (go) <pair_born>`              | :doc:`born/coul/long/cs (g) <pair_cs>`                      |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`born/coul/msm (o) <pair_born>`                         | :doc:`born/coul/wolf (go) <pair_born>`                            | :doc:`born/coul/wolf/cs (g) <pair_cs>`              | :doc:`brownian (o) <pair_brownian>`                         |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`brownian/poly (o) <pair_brownian>`                     | :doc:`buck (giko) <pair_buck>`                                    | :doc:`buck/coul/cut (giko) <pair_buck>`             | :doc:`buck/coul/long (giko) <pair_buck>`                    |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`buck/coul/long/cs <pair_cs>`                           | :doc:`buck/coul/msm (o) <pair_buck>`                              | :doc:`buck/long/coul/long (o) <pair_buck_long>`     | :doc:`buck/mdf <pair_mdf>`                                  |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`buck6d/coul/gauss/dsf <pair_buck6d_coul_gauss>`        | :doc:`buck6d/coul/gauss/long <pair_buck6d_coul_gauss>`            | :doc:`colloid (go) <pair_colloid>`                  | :doc:`comb (o) <pair_comb>`                                 |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`comb3 <pair_comb>`                                     | :doc:`cosine/squared <pair_cosine_squared>`                       | :doc:`coul/cut (gko) <pair_coul>`                   | :doc:`coul/cut/soft (o) <pair_fep_soft>`                    |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`coul/debye (gko) <pair_coul>`                          | :doc:`coul/diel (o) <pair_coul_diel>`                             | :doc:`coul/dsf (gko) <pair_coul>`                   | :doc:`coul/long (gko) <pair_coul>`                          |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`coul/long/cs (g) <pair_cs>`                            | :doc:`coul/long/soft (o) <pair_fep_soft>`                         | :doc:`coul/msm (o) <pair_coul>`                     | :doc:`coul/shield <pair_coul_shield>`                       |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`coul/streitz <pair_coul>`                              | :doc:`coul/wolf (ko) <pair_coul>`                                 | :doc:`coul/wolf/cs <pair_cs>`                       | :doc:`dpd (gio) <pair_dpd>`                                 |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`dpd/fdt <pair_dpd_fdt>`                                | :doc:`dpd/fdt/energy (k) <pair_dpd_fdt>`                          | :doc:`dpd/tstat (go) <pair_dpd>`                    | :doc:`dsmc <pair_dsmc>`                                     |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`e3b <pair_e3b>`                                        | :doc:`drip <pair_drip>`                                           | :doc:`eam (gikot) <pair_eam>`                       | :doc:`eam/alloy (gikot) <pair_eam>`                         |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`eam/cd (o) <pair_eam>`                                 | :doc:`eam/cd/old (o) <pair_eam>`                                  | :doc:`eam/fs (gikot) <pair_eam>`                    | :doc:`edip (o) <pair_edip>`                                 |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`edip/multi <pair_edip>`                                | :doc:`edpd <pair_meso>`                                           | :doc:`eff/cut <pair_eff>`                           | :doc:`eim (o) <pair_eim>`                                   |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`exp6/rx (k) <pair_exp6_rx>`                            | :doc:`extep <pair_extep>`                                         | :doc:`gauss (go) <pair_gauss>`                      | :doc:`gauss/cut (o) <pair_gauss>`                           |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`gayberne (gio) <pair_gayberne>`                        | :doc:`gran/hertz/history (o) <pair_gran>`                         | :doc:`gran/hooke (o) <pair_gran>`                   | :doc:`gran/hooke/history (ko) <pair_gran>`                  |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`granular <pair_granular>`                              | :doc:`gw <pair_gw>`                                               | :doc:`gw/zbl <pair_gw>`                             | :doc:`hbond/dreiding/lj (o) <pair_hbond_dreiding>`          |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`hbond/dreiding/morse (o) <pair_hbond_dreiding>`        | :doc:`ilp/graphene/hbn <pair_ilp_graphene_hbn>`                   | :doc:`kim <pair_kim>`                               | :doc:`kolmogorov/crespi/full <pair_kolmogorov_crespi_full>` |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`kolmogorov/crespi/z <pair_kolmogorov_crespi_z>`        | :doc:`lcbop <pair_lcbop>`                                         | :doc:`lebedeva/z <pair_lebedeva_z>`                 | :doc:`lennard/mdf <pair_mdf>`                               |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`line/lj <pair_line_lj>`                                | :doc:`list <pair_list>`                                           | :doc:`lj/charmm/coul/charmm (iko) <pair_charmm>`    | :doc:`lj/charmm/coul/charmm/implicit (ko) <pair_charmm>`    |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`lj/charmm/coul/long (gikot) <pair_charmm>`             | :doc:`lj/charmm/coul/long/soft (o) <pair_fep_soft>`               | :doc:`lj/charmm/coul/msm (o) <pair_charmm>`         | :doc:`lj/charmmfsw/coul/charmmfsh <pair_charmm>`            |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`lj/charmmfsw/coul/long <pair_charmm>`                  | :doc:`lj/class2 (gko) <pair_class2>`                              | :doc:`lj/class2/coul/cut (ko) <pair_class2>`        | :doc:`lj/class2/coul/cut/soft <pair_fep_soft>`              |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`lj/class2/coul/long (gko) <pair_class2>`               | :doc:`lj/class2/coul/long/soft <pair_fep_soft>`                   | :doc:`lj/class2/soft <pair_fep_soft>`               | :doc:`lj/cubic (go) <pair_lj_cubic>`                        |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`lj/cut (gikot) <pair_lj>`                              | :doc:`lj/cut/coul/cut (gko) <pair_lj>`                            | :doc:`lj/cut/coul/cut/soft (o) <pair_fep_soft>`     | :doc:`lj/cut/coul/debye (gko) <pair_lj>`                    |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`lj/cut/coul/dsf (gko) <pair_lj>`                       | :doc:`lj/cut/coul/long (gikot) <pair_lj>`                         | :doc:`lj/cut/coul/long/cs <pair_cs>`                | :doc:`lj/cut/coul/long/soft (o) <pair_fep_soft>`            |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`lj/cut/coul/msm (go) <pair_lj>`                        | :doc:`lj/cut/coul/wolf (o) <pair_lj>`                             | :doc:`lj/cut/dipole/cut (go) <pair_dipole>`         | :doc:`lj/cut/dipole/long (g) <pair_dipole>`                 |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`lj/cut/dipole/sf (go) <pair_dipole>`                   | :doc:`lj/cut/soft (o) <pair_fep_soft>`                            | :doc:`lj/cut/thole/long (o) <pair_thole>`           | :doc:`lj/cut/tip4p/cut (o) <pair_lj>`                       |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`lj/cut/tip4p/long (ot) <pair_lj>`                      | :doc:`lj/cut/tip4p/long/soft (o) <pair_fep_soft>`                 | :doc:`lj/expand (gko) <pair_lj_expand>`             | :doc:`lj/expand/coul/long (g) <pair_lj_expand>`             |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`lj/gromacs (gko) <pair_gromacs>`                       | :doc:`lj/gromacs/coul/gromacs (ko) <pair_gromacs>`                | :doc:`lj/long/coul/long (iot) <pair_lj_long>`       | :doc:`lj/long/dipole/long <pair_dipole>`                    |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`lj/long/tip4p/long (o) <pair_lj_long>`                 | :doc:`lj/mdf <pair_mdf>`                                          | :doc:`lj/sdk (gko) <pair_sdk>`                      | :doc:`lj/sdk/coul/long (go) <pair_sdk>`                     |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`lj/sdk/coul/msm (o) <pair_sdk>`                        | :doc:`lj/sf/dipole/sf (go) <pair_dipole>`                         | :doc:`lj/smooth (o) <pair_lj_smooth>`               | :doc:`lj/smooth/linear (o) <pair_lj_smooth_linear>`         |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`lj/switch3/coulgauss/long <pair_lj_switch3_coulgauss>` | :doc:`lj96/cut (go) <pair_lj96>`                                  | :doc:`local/density <pair_local_density>`           | :doc:`lubricate (o) <pair_lubricate>`                       |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`lubricate/poly (o) <pair_lubricate>`                   | :doc:`lubricateU <pair_lubricateU>`                               | :doc:`lubricateU/poly <pair_lubricateU>`            | :doc:`mdpd <pair_meso>`                                     |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`mdpd/rhosum <pair_meso>`                               | :doc:`meam/c <pair_meamc>`                                        | :doc:`meam/spline (o) <pair_meam_spline>`           | :doc:`meam/sw/spline <pair_meam_sw_spline>`                 |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`mgpt <pair_mgpt>`                                      | :doc:`mie/cut (g) <pair_mie>`                                     | :doc:`momb <pair_momb>`                             | :doc:`morse (gkot) <pair_morse>`                            |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`morse/smooth/linear (o) <pair_morse>`                  | :doc:`morse/soft <pair_fep_soft>`                                 | :doc:`multi/lucy <pair_multi_lucy>`                 | :doc:`multi/lucy/rx (k) <pair_multi_lucy_rx>`               |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`nb3b/harmonic <pair_nb3b_harmonic>`                    | :doc:`nm/cut (o) <pair_nm>`                                       | :doc:`nm/cut/coul/cut (o) <pair_nm>`                | :doc:`nm/cut/coul/long (o) <pair_nm>`                       |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`oxdna/coaxstk <pair_oxdna>`                            | :doc:`oxdna/excv <pair_oxdna>`                                    | :doc:`oxdna/hbond <pair_oxdna>`                     | :doc:`oxdna/stk <pair_oxdna>`                               |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`oxdna/xstk <pair_oxdna>`                               | :doc:`oxdna2/coaxstk <pair_oxdna2>`                               | :doc:`oxdna2/dh <pair_oxdna2>`                      | :doc:`oxdna2/excv <pair_oxdna2>`                            |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`oxdna2/hbond <pair_oxdna2>`                            | :doc:`oxdna2/stk <pair_oxdna2>`                                   | :doc:`oxdna2/xstk <pair_oxdna2>`                    | :doc:`peri/eps <pair_peri>`                                 |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`peri/lps (o) <pair_peri>`                              | :doc:`peri/pmb (o) <pair_peri>`                                   | :doc:`peri/ves <pair_peri>`                         | :doc:`polymorphic <pair_polymorphic>`                       |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`python <pair_python>`                                  | :doc:`quip <pair_quip>`                                           | :doc:`reax/c (ko) <pair_reaxc>`                     | :doc:`rebo (io) <pair_airebo>`                              |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`resquared (go) <pair_resquared>`                       | :doc:`sdpd/taitwater/isothermal <pair_sdpd_taitwater_isothermal>` | :doc:`smd/hertz <pair_smd_hertz>`                   | :doc:`smd/tlsph <pair_smd_tlsph>`                           |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`smd/tri\_surface <pair_smd_triangulated_surface>`      | :doc:`smd/ulsph <pair_smd_ulsph>`                                 | :doc:`smtbq <pair_smtbq>`                           | :doc:`snap (k) <pair_snap>`                                 |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`snap (k) <pair_snap>`                                  | :doc:`soft (go) <pair_soft>`                                      | :doc:`sph/heatconduction <pair_sph_heatconduction>` | :doc:`sph/idealgas <pair_sph_idealgas>`                     |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`sph/lj <pair_sph_lj>`                                  | :doc:`sph/rhosum <pair_sph_rhosum>`                               | :doc:`sph/taitwater <pair_sph_taitwater>`           | :doc:`sph/taitwater/morris <pair_sph_taitwater_morris>`     |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`spin/dipole/cut <pair_spin_dipole>`                    | :doc:`spin/dipole/long <pair_spin_dipole>`                        | :doc:`spin/dmi <pair_spin_dmi>`                     | :doc:`spin/exchange <pair_spin_exchange>`                   |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`spin/magelec <pair_spin_magelec>`                      | :doc:`spin/neel <pair_spin_neel>`                                 | :doc:`srp <pair_srp>`                               | :doc:`sw (giko) <pair_sw>`                                  |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`table (gko) <pair_table>`                              | :doc:`table/rx (k) <pair_table_rx>`                               | :doc:`tdpd <pair_meso>`                             | :doc:`tersoff (giko) <pair_tersoff>`                        |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`tersoff/mod (gko) <pair_tersoff_mod>`                  | :doc:`tersoff/mod/c (o) <pair_tersoff_mod>`                       | :doc:`tersoff/table (o) <pair_tersoff>`             | :doc:`tersoff/zbl (gko) <pair_tersoff_zbl>`                 |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`thole <pair_thole>`                                    | :doc:`tip4p/cut (o) <pair_coul>`                                  | :doc:`tip4p/long (o) <pair_coul>`                   | :doc:`tip4p/long/soft (o) <pair_fep_soft>`                  |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`tri/lj <pair_tri_lj>`                                  | :doc:`ufm (got) <pair_ufm>`                                       | :doc:`vashishta (gko) <pair_vashishta>`             | :doc:`vashishta/table (o) <pair_vashishta>`                 |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
-| :doc:`yukawa (gko) <pair_yukawa>`                            | :doc:`yukawa/colloid (go) <pair_yukawa_colloid>`                  | :doc:`zbl (gko) <pair_zbl>`                         |                                                             |
-+--------------------------------------------------------------+-------------------------------------------------------------------+-----------------------------------------------------+-------------------------------------------------------------+
+.. table_from_list::
+   :columns: 4
 
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
+   * :doc:`none <pair_none>`
+   * :doc:`zero <pair_zero>`
+   * :doc:`hybrid (k) <pair_hybrid>`
+   * :doc:`hybrid/overlay (k) <pair_hybrid>`
+   *
+   *
+   *
+   *
+   * :doc:`adp (o) <pair_adp>`
+   * :doc:`agni (o) <pair_agni>`
+   * :doc:`airebo (io) <pair_airebo>`
+   * :doc:`airebo/morse (io) <pair_airebo>`
+   * :doc:`atm <pair_atm>`
+   * :doc:`awpmd/cut <pair_awpmd>`
+   * :doc:`beck (go) <pair_beck>`
+   * :doc:`body/nparticle <pair_body_nparticle>`
+   * :doc:`body/rounded/polygon <pair_body_rounded_polygon>`
+   * :doc:`body/rounded/polyhedron <pair_body_rounded_polyhedron>`
+   * :doc:`bop <pair_bop>`
+   * :doc:`born (go) <pair_born>`
+   * :doc:`born/coul/dsf <pair_born>`
+   * :doc:`born/coul/dsf/cs <pair_cs>`
+   * :doc:`born/coul/long (go) <pair_born>`
+   * :doc:`born/coul/long/cs (g) <pair_cs>`
+   * :doc:`born/coul/msm (o) <pair_born>`
+   * :doc:`born/coul/wolf (go) <pair_born>`
+   * :doc:`born/coul/wolf/cs (g) <pair_cs>`
+   * :doc:`brownian (o) <pair_brownian>`
+   * :doc:`brownian/poly (o) <pair_brownian>`
+   * :doc:`buck (giko) <pair_buck>`
+   * :doc:`buck/coul/cut (giko) <pair_buck>`
+   * :doc:`buck/coul/long (giko) <pair_buck>`
+   * :doc:`buck/coul/long/cs <pair_cs>`
+   * :doc:`buck/coul/msm (o) <pair_buck>`
+   * :doc:`buck/long/coul/long (o) <pair_buck_long>`
+   * :doc:`buck/mdf <pair_mdf>`
+   * :doc:`buck6d/coul/gauss/dsf <pair_buck6d_coul_gauss>`
+   * :doc:`buck6d/coul/gauss/long <pair_buck6d_coul_gauss>`
+   * :doc:`colloid (go) <pair_colloid>`
+   * :doc:`comb (o) <pair_comb>`
+   * :doc:`comb3 <pair_comb>`
+   * :doc:`cosine/squared <pair_cosine_squared>`
+   * :doc:`coul/cut (gko) <pair_coul>`
+   * :doc:`coul/cut/soft (o) <pair_fep_soft>`
+   * :doc:`coul/debye (gko) <pair_coul>`
+   * :doc:`coul/diel (o) <pair_coul_diel>`
+   * :doc:`coul/dsf (gko) <pair_coul>`
+   * :doc:`coul/long (gko) <pair_coul>`
+   * :doc:`coul/long/cs (g) <pair_cs>`
+   * :doc:`coul/long/soft (o) <pair_fep_soft>`
+   * :doc:`coul/msm (o) <pair_coul>`
+   * :doc:`coul/shield <pair_coul_shield>`
+   * :doc:`coul/streitz <pair_coul>`
+   * :doc:`coul/wolf (ko) <pair_coul>`
+   * :doc:`coul/wolf/cs <pair_cs>`
+   * :doc:`dpd (gio) <pair_dpd>`
+   * :doc:`dpd/fdt <pair_dpd_fdt>`
+   * :doc:`dpd/fdt/energy (k) <pair_dpd_fdt>`
+   * :doc:`dpd/tstat (go) <pair_dpd>`
+   * :doc:`dsmc <pair_dsmc>`
+   * :doc:`e3b <pair_e3b>`
+   * :doc:`drip <pair_drip>`
+   * :doc:`eam (gikot) <pair_eam>`
+   * :doc:`eam/alloy (gikot) <pair_eam>`
+   * :doc:`eam/cd (o) <pair_eam>`
+   * :doc:`eam/cd/old (o) <pair_eam>`
+   * :doc:`eam/fs (gikot) <pair_eam>`
+   * :doc:`edip (o) <pair_edip>`
+   * :doc:`edip/multi <pair_edip>`
+   * :doc:`edpd <pair_meso>`
+   * :doc:`eff/cut <pair_eff>`
+   * :doc:`eim (o) <pair_eim>`
+   * :doc:`exp6/rx (k) <pair_exp6_rx>`
+   * :doc:`extep <pair_extep>`
+   * :doc:`gauss (go) <pair_gauss>`
+   * :doc:`gauss/cut (o) <pair_gauss>`
+   * :doc:`gayberne (gio) <pair_gayberne>`
+   * :doc:`gran/hertz/history (o) <pair_gran>`
+   * :doc:`gran/hooke (o) <pair_gran>`
+   * :doc:`gran/hooke/history (ko) <pair_gran>`
+   * :doc:`granular <pair_granular>`
+   * :doc:`gw <pair_gw>`
+   * :doc:`gw/zbl <pair_gw>`
+   * :doc:`hbond/dreiding/lj (o) <pair_hbond_dreiding>`
+   * :doc:`hbond/dreiding/morse (o) <pair_hbond_dreiding>`
+   * :doc:`ilp/graphene/hbn <pair_ilp_graphene_hbn>`
+   * :doc:`kim <pair_kim>`
+   * :doc:`kolmogorov/crespi/full <pair_kolmogorov_crespi_full>`
+   * :doc:`kolmogorov/crespi/z <pair_kolmogorov_crespi_z>`
+   * :doc:`lcbop <pair_lcbop>`
+   * :doc:`lebedeva/z <pair_lebedeva_z>`
+   * :doc:`lennard/mdf <pair_mdf>`
+   * :doc:`line/lj <pair_line_lj>`
+   * :doc:`list <pair_list>`
+   * :doc:`lj/charmm/coul/charmm (iko) <pair_charmm>`
+   * :doc:`lj/charmm/coul/charmm/implicit (ko) <pair_charmm>`
+   * :doc:`lj/charmm/coul/long (gikot) <pair_charmm>`
+   * :doc:`lj/charmm/coul/long/soft (o) <pair_fep_soft>`
+   * :doc:`lj/charmm/coul/msm (o) <pair_charmm>`
+   * :doc:`lj/charmmfsw/coul/charmmfsh <pair_charmm>`
+   * :doc:`lj/charmmfsw/coul/long <pair_charmm>`
+   * :doc:`lj/class2 (gko) <pair_class2>`
+   * :doc:`lj/class2/coul/cut (ko) <pair_class2>`
+   * :doc:`lj/class2/coul/cut/soft <pair_fep_soft>`
+   * :doc:`lj/class2/coul/long (gko) <pair_class2>`
+   * :doc:`lj/class2/coul/long/soft <pair_fep_soft>`
+   * :doc:`lj/class2/soft <pair_fep_soft>`
+   * :doc:`lj/cubic (go) <pair_lj_cubic>`
+   * :doc:`lj/cut (gikot) <pair_lj>`
+   * :doc:`lj/cut/coul/cut (gko) <pair_lj>`
+   * :doc:`lj/cut/coul/cut/soft (o) <pair_fep_soft>`
+   * :doc:`lj/cut/coul/debye (gko) <pair_lj>`
+   * :doc:`lj/cut/coul/dsf (gko) <pair_lj>`
+   * :doc:`lj/cut/coul/long (gikot) <pair_lj>`
+   * :doc:`lj/cut/coul/long/cs <pair_cs>`
+   * :doc:`lj/cut/coul/long/soft (o) <pair_fep_soft>`
+   * :doc:`lj/cut/coul/msm (go) <pair_lj>`
+   * :doc:`lj/cut/coul/wolf (o) <pair_lj>`
+   * :doc:`lj/cut/dipole/cut (go) <pair_dipole>`
+   * :doc:`lj/cut/dipole/long (g) <pair_dipole>`
+   * :doc:`lj/cut/dipole/sf (go) <pair_dipole>`
+   * :doc:`lj/cut/soft (o) <pair_fep_soft>`
+   * :doc:`lj/cut/thole/long (o) <pair_thole>`
+   * :doc:`lj/cut/tip4p/cut (o) <pair_lj>`
+   * :doc:`lj/cut/tip4p/long (ot) <pair_lj>`
+   * :doc:`lj/cut/tip4p/long/soft (o) <pair_fep_soft>`
+   * :doc:`lj/expand (gko) <pair_lj_expand>`
+   * :doc:`lj/expand/coul/long (g) <pair_lj_expand>`
+   * :doc:`lj/gromacs (gko) <pair_gromacs>`
+   * :doc:`lj/gromacs/coul/gromacs (ko) <pair_gromacs>`
+   * :doc:`lj/long/coul/long (iot) <pair_lj_long>`
+   * :doc:`lj/long/dipole/long <pair_dipole>`
+   * :doc:`lj/long/tip4p/long (o) <pair_lj_long>`
+   * :doc:`lj/mdf <pair_mdf>`
+   * :doc:`lj/sdk (gko) <pair_sdk>`
+   * :doc:`lj/sdk/coul/long (go) <pair_sdk>`
+   * :doc:`lj/sdk/coul/msm (o) <pair_sdk>`
+   * :doc:`lj/sf/dipole/sf (go) <pair_dipole>`
+   * :doc:`lj/smooth (o) <pair_lj_smooth>`
+   * :doc:`lj/smooth/linear (o) <pair_lj_smooth_linear>`
+   * :doc:`lj/switch3/coulgauss/long <pair_lj_switch3_coulgauss>`
+   * :doc:`lj96/cut (go) <pair_lj96>`
+   * :doc:`local/density <pair_local_density>`
+   * :doc:`lubricate (o) <pair_lubricate>`
+   * :doc:`lubricate/poly (o) <pair_lubricate>`
+   * :doc:`lubricateU <pair_lubricateU>`
+   * :doc:`lubricateU/poly <pair_lubricateU>`
+   * :doc:`mdpd <pair_meso>`
+   * :doc:`mdpd/rhosum <pair_meso>`
+   * :doc:`meam/c <pair_meamc>`
+   * :doc:`meam/spline (o) <pair_meam_spline>`
+   * :doc:`meam/sw/spline <pair_meam_sw_spline>`
+   * :doc:`mgpt <pair_mgpt>`
+   * :doc:`mie/cut (g) <pair_mie>`
+   * :doc:`momb <pair_momb>`
+   * :doc:`morse (gkot) <pair_morse>`
+   * :doc:`morse/smooth/linear (o) <pair_morse>`
+   * :doc:`morse/soft <pair_fep_soft>`
+   * :doc:`multi/lucy <pair_multi_lucy>`
+   * :doc:`multi/lucy/rx (k) <pair_multi_lucy_rx>`
+   * :doc:`nb3b/harmonic <pair_nb3b_harmonic>`
+   * :doc:`nm/cut (o) <pair_nm>`
+   * :doc:`nm/cut/coul/cut (o) <pair_nm>`
+   * :doc:`nm/cut/coul/long (o) <pair_nm>`
+   * :doc:`oxdna/coaxstk <pair_oxdna>`
+   * :doc:`oxdna/excv <pair_oxdna>`
+   * :doc:`oxdna/hbond <pair_oxdna>`
+   * :doc:`oxdna/stk <pair_oxdna>`
+   * :doc:`oxdna/xstk <pair_oxdna>`
+   * :doc:`oxdna2/coaxstk <pair_oxdna2>`
+   * :doc:`oxdna2/dh <pair_oxdna2>`
+   * :doc:`oxdna2/excv <pair_oxdna2>`
+   * :doc:`oxdna2/hbond <pair_oxdna2>`
+   * :doc:`oxdna2/stk <pair_oxdna2>`
+   * :doc:`oxdna2/xstk <pair_oxdna2>`
+   * :doc:`peri/eps <pair_peri>`
+   * :doc:`peri/lps (o) <pair_peri>`
+   * :doc:`peri/pmb (o) <pair_peri>`
+   * :doc:`peri/ves <pair_peri>`
+   * :doc:`python <pair_python>`
+   * :doc:`quip <pair_quip>`
+   * :doc:`reax/c (ko) <pair_reaxc>`
+   * :doc:`rebo (io) <pair_airebo>`
+   * :doc:`resquared (go) <pair_resquared>`
+   * :doc:`sdpd/taitwater/isothermal <pair_sdpd_taitwater_isothermal>`
+   * :doc:`smd/hertz <pair_smd_hertz>`
+   * :doc:`smd/tlsph <pair_smd_tlsph>`
+   * :doc:`smd/tri\_surface <pair_smd_triangulated_surface>`
+   * :doc:`smd/ulsph <pair_smd_ulsph>`
+   * :doc:`smtbq <pair_smtbq>`
+   * :doc:`snap (k) <pair_snap>`
+   * :doc:`snap (k) <pair_snap>`
+   * :doc:`soft (go) <pair_soft>`
+   * :doc:`sph/heatconduction <pair_sph_heatconduction>`
+   * :doc:`sph/idealgas <pair_sph_idealgas>`
+   * :doc:`sph/lj <pair_sph_lj>`
+   * :doc:`sph/rhosum <pair_sph_rhosum>`
+   * :doc:`sph/taitwater <pair_sph_taitwater>`
+   * :doc:`sph/taitwater/morris <pair_sph_taitwater_morris>`
+   * :doc:`spin/dipole/cut <pair_spin_dipole>`
+   * :doc:`spin/dipole/long <pair_spin_dipole>`
+   * :doc:`spin/dmi <pair_spin_dmi>`
+   * :doc:`spin/exchange <pair_spin_exchange>`
+   * :doc:`spin/magelec <pair_spin_magelec>`
+   * :doc:`spin/neel <pair_spin_neel>`
+   * :doc:`srp <pair_srp>`
+   * :doc:`sw (giko) <pair_sw>`
+   * :doc:`table (gko) <pair_table>`
+   * :doc:`table/rx (k) <pair_table_rx>`
+   * :doc:`tdpd <pair_meso>`
+   * :doc:`tersoff (giko) <pair_tersoff>`
+   * :doc:`tersoff/mod (gko) <pair_tersoff_mod>`
+   * :doc:`tersoff/mod/c (o) <pair_tersoff_mod>`
+   * :doc:`tersoff/table (o) <pair_tersoff>`
+   * :doc:`tersoff/zbl (gko) <pair_tersoff_zbl>`
+   * :doc:`thole <pair_thole>`
+   * :doc:`tip4p/cut (o) <pair_coul>`
+   * :doc:`tip4p/long (o) <pair_coul>`
+   * :doc:`tip4p/long/soft (o) <pair_fep_soft>`
+   * :doc:`tri/lj <pair_tri_lj>`
+   * :doc:`ufm (got) <pair_ufm>`
+   * :doc:`vashishta (gko) <pair_vashishta>`
+   * :doc:`vashishta/table (o) <pair_vashishta>`
+   * :doc:`yukawa (gko) <pair_yukawa>`
+   * :doc:`yukawa/colloid (go) <pair_yukawa_colloid>`
+   * :doc:`zbl (gko) <pair_zbl>`
+   *
+   *
diff --git a/doc/src/Commands_parse.rst b/doc/src/Commands_parse.rst
index 91a11089a8..ec1c8c1e46 100644
--- a/doc/src/Commands_parse.rst
+++ b/doc/src/Commands_parse.rst
@@ -146,8 +146,3 @@ comment indicator in (2) or substituted for as a variable in (3).
    triple quotes can be nested in the usual manner.  See the doc pages
    for those commands for examples.  Only one of level of nesting is
    allowed, but that should be sufficient for most use cases.
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/Commands_structure.rst b/doc/src/Commands_structure.rst
index d04d2cd98e..b419074212 100644
--- a/doc/src/Commands_structure.rst
+++ b/doc/src/Commands_structure.rst
@@ -84,8 +84,3 @@ command.  Energy minimization (molecular statics) is performed using
 the :doc:`minimize <minimize>` command.  A parallel tempering
 (replica-exchange) simulation can be run using the
 :doc:`temper <temper>` command.
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/txt/Developer/.gitignore b/doc/src/Developer/.gitignore
similarity index 100%
rename from doc/txt/Developer/.gitignore
rename to doc/src/Developer/.gitignore
diff --git a/doc/txt/Developer/classes.fig b/doc/src/Developer/classes.fig
similarity index 100%
rename from doc/txt/Developer/classes.fig
rename to doc/src/Developer/classes.fig
diff --git a/doc/txt/Developer/classes.pdf b/doc/src/Developer/classes.pdf
similarity index 100%
rename from doc/txt/Developer/classes.pdf
rename to doc/src/Developer/classes.pdf
diff --git a/doc/txt/Developer/developer.tex b/doc/src/Developer/developer.tex
similarity index 100%
rename from doc/txt/Developer/developer.tex
rename to doc/src/Developer/developer.tex
diff --git a/doc/src/Eqs/angle_charmm.jpg b/doc/src/Eqs/angle_charmm.jpg
deleted file mode 100644
index c6e6c297d2..0000000000
Binary files a/doc/src/Eqs/angle_charmm.jpg and /dev/null differ
diff --git a/doc/src/Eqs/angle_charmm.tex b/doc/src/Eqs/angle_charmm.tex
deleted file mode 100644
index 00b37ba335..0000000000
--- a/doc/src/Eqs/angle_charmm.tex
+++ /dev/null
@@ -1,9 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-
-$$ 
-  E = K (\theta - \theta_0)^2 + K_{UB} (r - r_{UB})^2 
-$$
-
-\end{document}
\ No newline at end of file
diff --git a/doc/src/Eqs/angle_class2.jpg b/doc/src/Eqs/angle_class2.jpg
deleted file mode 100644
index f0f2a5152e..0000000000
Binary files a/doc/src/Eqs/angle_class2.jpg and /dev/null differ
diff --git a/doc/src/Eqs/angle_class2.tex b/doc/src/Eqs/angle_class2.tex
deleted file mode 100644
index e5a542e87a..0000000000
--- a/doc/src/Eqs/angle_class2.tex
+++ /dev/null
@@ -1,12 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-
-\begin{eqnarray*}
-  E & = & E_a + E_{bb} + E_{ba} \\
-  E_a & = & K_2 (\theta - \theta_0)^2 + K_3 (\theta - \theta_0)^3 + K_4 (\theta - \theta_0)^4 \\
-  E_{bb} & = & M (r_{ij} - r_1) (r_{jk} - r_2) \\
-  E_{ba} & = & N_1 (r_{ij} - r_1) (\theta - \theta_0) + N_2 (r_{jk} - r_2) (\theta - \theta_0)
-\end{eqnarray*}
-
-\end{document}
\ No newline at end of file
diff --git a/doc/src/Eqs/angle_cosine.jpg b/doc/src/Eqs/angle_cosine.jpg
deleted file mode 100644
index 23b9b64310..0000000000
Binary files a/doc/src/Eqs/angle_cosine.jpg and /dev/null differ
diff --git a/doc/src/Eqs/angle_cosine.tex b/doc/src/Eqs/angle_cosine.tex
deleted file mode 100644
index e766676099..0000000000
--- a/doc/src/Eqs/angle_cosine.tex
+++ /dev/null
@@ -1,9 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-
-$$
-  E = K [1 + \cos(\theta)] 
-$$
-
-\end{document}
\ No newline at end of file
diff --git a/doc/src/Eqs/angle_cosine_buck6d.jpg b/doc/src/Eqs/angle_cosine_buck6d.jpg
deleted file mode 100644
index 69b668c086..0000000000
Binary files a/doc/src/Eqs/angle_cosine_buck6d.jpg and /dev/null differ
diff --git a/doc/src/Eqs/angle_cosine_buck6d.tex b/doc/src/Eqs/angle_cosine_buck6d.tex
deleted file mode 100644
index 49be2fc8c2..0000000000
--- a/doc/src/Eqs/angle_cosine_buck6d.tex
+++ /dev/null
@@ -1,15 +0,0 @@
-\documentclass[12pt]{article}
-
-\pagestyle{empty}
-\begin{document}
-
-$$
-  E = K \left[ 1 + \cos(n\theta - \theta_0)\right]
-$$
-
-\end{document}
-
-%%% Local Variables:
-%%% mode: latex
-%%% TeX-master: t
-%%% End:
diff --git a/doc/src/Eqs/angle_cosine_delta.jpg b/doc/src/Eqs/angle_cosine_delta.jpg
deleted file mode 100644
index c6e90bb2c5..0000000000
Binary files a/doc/src/Eqs/angle_cosine_delta.jpg and /dev/null differ
diff --git a/doc/src/Eqs/angle_cosine_delta.tex b/doc/src/Eqs/angle_cosine_delta.tex
deleted file mode 100644
index 918e9e5046..0000000000
--- a/doc/src/Eqs/angle_cosine_delta.tex
+++ /dev/null
@@ -1,9 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-
-$$
-  E = K [1 - \cos(\theta - \theta_0)]
-$$
-
-\end{document}
diff --git a/doc/src/Eqs/angle_cosine_periodic.jpg b/doc/src/Eqs/angle_cosine_periodic.jpg
deleted file mode 100644
index a9d7d50cb3..0000000000
Binary files a/doc/src/Eqs/angle_cosine_periodic.jpg and /dev/null differ
diff --git a/doc/src/Eqs/angle_cosine_periodic.tex b/doc/src/Eqs/angle_cosine_periodic.tex
deleted file mode 100644
index 69aa1bba6a..0000000000
--- a/doc/src/Eqs/angle_cosine_periodic.tex
+++ /dev/null
@@ -1,9 +0,0 @@
-\documentstyle[12pt]{article}
-
-\begin{document}
-
-$$
-E=C\left[ 1-B(-1)^ncos\left( n\theta\right) \right]  
-$$
-
-\end{document}
diff --git a/doc/src/Eqs/angle_cosine_shift.jpg b/doc/src/Eqs/angle_cosine_shift.jpg
deleted file mode 100644
index d9929939c8..0000000000
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diff --git a/doc/src/Eqs/angle_cosine_shift.tex b/doc/src/Eqs/angle_cosine_shift.tex
deleted file mode 100644
index e795d6beff..0000000000
--- a/doc/src/Eqs/angle_cosine_shift.tex
+++ /dev/null
@@ -1,9 +0,0 @@
-\documentstyle[12pt]{article}
-
-\begin{document}
-
-$$
-E=-\frac{Umin}{2} \left[ 1+Cos(\theta-\theta_0) \right]
-$$
-
-\end{document}
diff --git a/doc/src/Eqs/angle_cosine_shift_exp.jpg b/doc/src/Eqs/angle_cosine_shift_exp.jpg
deleted file mode 100644
index 294986de4b..0000000000
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diff --git a/doc/src/Eqs/angle_cosine_shift_exp.tex b/doc/src/Eqs/angle_cosine_shift_exp.tex
deleted file mode 100644
index 4afa01356c..0000000000
--- a/doc/src/Eqs/angle_cosine_shift_exp.tex
+++ /dev/null
@@ -1,13 +0,0 @@
-\documentstyle[12pt]{article}
-
-\begin{document}
-
-$$
-E=-U_{min} 
-\frac{e^{-a U(\theta,\theta_0)}-1}{e^a-1}
-\quad\mbox{with}\quad
-U(\theta,\theta_0)
-=-0.5 \left(1+\cos(\theta-\theta_0) \right)
-$$
-
-\end{document}
diff --git a/doc/src/Eqs/angle_cosine_squared.jpg b/doc/src/Eqs/angle_cosine_squared.jpg
deleted file mode 100644
index b992398b7d..0000000000
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diff --git a/doc/src/Eqs/angle_cosine_squared.tex b/doc/src/Eqs/angle_cosine_squared.tex
deleted file mode 100644
index 57ae47ae45..0000000000
--- a/doc/src/Eqs/angle_cosine_squared.tex
+++ /dev/null
@@ -1,9 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-
-$$
-  E = K [\cos(\theta) - \cos(\theta_0)]^2 
-$$
-
-\end{document}
\ No newline at end of file
diff --git a/doc/src/Eqs/angle_cross.jpg b/doc/src/Eqs/angle_cross.jpg
deleted file mode 100644
index b0f3fcf83a..0000000000
Binary files a/doc/src/Eqs/angle_cross.jpg and /dev/null differ
diff --git a/doc/src/Eqs/angle_cross.tex b/doc/src/Eqs/angle_cross.tex
deleted file mode 100644
index 9d1fdcb7f8..0000000000
--- a/doc/src/Eqs/angle_cross.tex
+++ /dev/null
@@ -1,9 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-\thispagestyle{empty}
-$$
-  E = K_{SS} \left(r_{12}-r_{12,0}\right)\left(r_{32}-r_{32,0}\right) + K_{BS0}\left(r_{12}-r_{12,0}\right)\left(\theta-\theta_0\right) + K_{BS1}\left(r_{32}-r_{32,0}\right)\left(\theta-\theta_0\right)
-$$
-
-\end{document}
diff --git a/doc/src/Eqs/angle_dipole_couple.jpg b/doc/src/Eqs/angle_dipole_couple.jpg
deleted file mode 100644
index f16849b2f9..0000000000
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diff --git a/doc/src/Eqs/angle_dipole_couple.tex b/doc/src/Eqs/angle_dipole_couple.tex
deleted file mode 100644
index a857d83d7a..0000000000
--- a/doc/src/Eqs/angle_dipole_couple.tex
+++ /dev/null
@@ -1,10 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-
-\begin{eqnarray*}
--\vec{T_j} & = & \vec{r_{ij}} \times \vec{F_i}\\
-\vec{F_j} & = & -\vec{F_i} \\
-\end{eqnarray*}                           
-
-\end{document}
diff --git a/doc/src/Eqs/angle_dipole_gamma.jpg b/doc/src/Eqs/angle_dipole_gamma.jpg
deleted file mode 100644
index 4bf618e252..0000000000
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diff --git a/doc/src/Eqs/angle_dipole_gamma.tex b/doc/src/Eqs/angle_dipole_gamma.tex
deleted file mode 100644
index 965b74ad96..0000000000
--- a/doc/src/Eqs/angle_dipole_gamma.tex
+++ /dev/null
@@ -1,9 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-
-$$
-   \cos\gamma = \frac{\vec{\mu_j}\bullet\vec{r_{ij}}}{\mu_j\,r_{ij}}
-$$
-
-\end{document}
\ No newline at end of file
diff --git a/doc/src/Eqs/angle_dipole_potential.jpg b/doc/src/Eqs/angle_dipole_potential.jpg
deleted file mode 100644
index b1285e8957..0000000000
Binary files a/doc/src/Eqs/angle_dipole_potential.jpg and /dev/null differ
diff --git a/doc/src/Eqs/angle_dipole_potential.tex b/doc/src/Eqs/angle_dipole_potential.tex
deleted file mode 100644
index 8949835eb7..0000000000
--- a/doc/src/Eqs/angle_dipole_potential.tex
+++ /dev/null
@@ -1,9 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-
-$$
-   E = K (\cos\gamma - \cos\gamma_0)^2 
-$$
-
-\end{document}
\ No newline at end of file
diff --git a/doc/src/Eqs/angle_dipole_torque.jpg b/doc/src/Eqs/angle_dipole_torque.jpg
deleted file mode 100644
index 996a9df3cb..0000000000
Binary files a/doc/src/Eqs/angle_dipole_torque.jpg and /dev/null differ
diff --git a/doc/src/Eqs/angle_dipole_torque.tex b/doc/src/Eqs/angle_dipole_torque.tex
deleted file mode 100644
index 9527459fdc..0000000000
--- a/doc/src/Eqs/angle_dipole_torque.tex
+++ /dev/null
@@ -1,9 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-
-$$
-\vec{T_j} = \frac{2K(\cos\gamma - \cos\gamma_0)}{\mu_j\,r_{ij}}\,
-           \vec{r_{ij}} \times \vec{\mu_j}
-$$
-\end{document}
\ No newline at end of file
diff --git a/doc/src/Eqs/angle_fourier.jpg b/doc/src/Eqs/angle_fourier.jpg
deleted file mode 100644
index e748e67430..0000000000
Binary files a/doc/src/Eqs/angle_fourier.jpg and /dev/null differ
diff --git a/doc/src/Eqs/angle_fourier.tex b/doc/src/Eqs/angle_fourier.tex
deleted file mode 100644
index f7f76462e3..0000000000
--- a/doc/src/Eqs/angle_fourier.tex
+++ /dev/null
@@ -1,9 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-
-$$
-   E = K [C_0 + C_1 \cos ( \theta) + C_2 \cos( 2 \theta) ] 
-$$
-
-\end{document}
diff --git a/doc/src/Eqs/angle_fourier_simple.jpg b/doc/src/Eqs/angle_fourier_simple.jpg
deleted file mode 100644
index 6c9297b970..0000000000
Binary files a/doc/src/Eqs/angle_fourier_simple.jpg and /dev/null differ
diff --git a/doc/src/Eqs/angle_fourier_simple.tex b/doc/src/Eqs/angle_fourier_simple.tex
deleted file mode 100644
index 3228315a13..0000000000
--- a/doc/src/Eqs/angle_fourier_simple.tex
+++ /dev/null
@@ -1,9 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-
-$$
-   E = K [ 1.0 + c \cos ( n \theta) ] 
-$$
-
-\end{document}
diff --git a/doc/src/Eqs/angle_harmonic.jpg b/doc/src/Eqs/angle_harmonic.jpg
deleted file mode 100644
index 352be0b544..0000000000
Binary files a/doc/src/Eqs/angle_harmonic.jpg and /dev/null differ
diff --git a/doc/src/Eqs/angle_harmonic.tex b/doc/src/Eqs/angle_harmonic.tex
deleted file mode 100644
index c566376b5b..0000000000
--- a/doc/src/Eqs/angle_harmonic.tex
+++ /dev/null
@@ -1,9 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-
-$$
-  E = K (\theta - \theta_0)^2 
-$$
-
-\end{document}
\ No newline at end of file
diff --git a/doc/src/Eqs/angle_mm3.jpg b/doc/src/Eqs/angle_mm3.jpg
deleted file mode 100644
index 5b9f3e34f0..0000000000
Binary files a/doc/src/Eqs/angle_mm3.jpg and /dev/null differ
diff --git a/doc/src/Eqs/angle_mm3.tex b/doc/src/Eqs/angle_mm3.tex
deleted file mode 100644
index e2d96f2d69..0000000000
--- a/doc/src/Eqs/angle_mm3.tex
+++ /dev/null
@@ -1,9 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-\thispagestyle{empty}
-$$
-  E = K (\theta - \theta_0)^2 \left[ 1 - 0.014(\theta - \theta_0) + 5.6(10)^{-5} (\theta - \theta_0)^2 - 7.0(10)^{-7} (\theta - \theta_0)^3 + 9(10)^{-10} (\theta - \theta_0)^4 \right]
-$$
-
-\end{document}
diff --git a/doc/src/Eqs/angle_quartic.jpg b/doc/src/Eqs/angle_quartic.jpg
deleted file mode 100644
index 744ce7a35f..0000000000
Binary files a/doc/src/Eqs/angle_quartic.jpg and /dev/null differ
diff --git a/doc/src/Eqs/angle_quartic.tex b/doc/src/Eqs/angle_quartic.tex
deleted file mode 100644
index ff9ff9a7dc..0000000000
--- a/doc/src/Eqs/angle_quartic.tex
+++ /dev/null
@@ -1,9 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-
-$$
-  E = K_2 (\theta - \theta_0)^2 + K_3 (\theta - \theta_0)^3 + K_4 (\theta - \theta_0)^4
-$$
-
-\end{document}
diff --git a/doc/src/Eqs/bond_class2.jpg b/doc/src/Eqs/bond_class2.jpg
deleted file mode 100644
index 493048100e..0000000000
Binary files a/doc/src/Eqs/bond_class2.jpg and /dev/null differ
diff --git a/doc/src/Eqs/bond_class2.tex b/doc/src/Eqs/bond_class2.tex
deleted file mode 100644
index 0735b61025..0000000000
--- a/doc/src/Eqs/bond_class2.tex
+++ /dev/null
@@ -1,9 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-
-$$
-   E = K_2 (r - r_0)^2 + K_3 (r - r_0)^3 + K_4 (r - r_0)^4 
-$$
-
-\end{document}
\ No newline at end of file
diff --git a/doc/src/Eqs/bond_fene.jpg b/doc/src/Eqs/bond_fene.jpg
deleted file mode 100644
index e8b909c08f..0000000000
Binary files a/doc/src/Eqs/bond_fene.jpg and /dev/null differ
diff --git a/doc/src/Eqs/bond_fene.tex b/doc/src/Eqs/bond_fene.tex
deleted file mode 100644
index ec4dd8efa2..0000000000
--- a/doc/src/Eqs/bond_fene.tex
+++ /dev/null
@@ -1,11 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-
-$$ 
-  E = -0.5 K R_0^2  \ln \left[ 1 - \left(\frac{r}{R_0}\right)^2\right] +
-  4 \epsilon \left[ \left(\frac{\sigma}{r}\right)^{12} - 
-    \left(\frac{\sigma}{r}\right)^6 \right] + \epsilon
-$$
-
-\end{document}
\ No newline at end of file
diff --git a/doc/src/Eqs/bond_fene_expand.jpg b/doc/src/Eqs/bond_fene_expand.jpg
deleted file mode 100644
index 1d04acec32..0000000000
Binary files a/doc/src/Eqs/bond_fene_expand.jpg and /dev/null differ
diff --git a/doc/src/Eqs/bond_fene_expand.tex b/doc/src/Eqs/bond_fene_expand.tex
deleted file mode 100644
index 5fd96e7ad5..0000000000
--- a/doc/src/Eqs/bond_fene_expand.tex
+++ /dev/null
@@ -1,13 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-
-$$ 
-  E = -0.5 K R_0^2
-  \ln \left[1 -\left( \frac{\left(r - \Delta\right)}{R_0}\right)^2 \right] + 
-  4 \epsilon \left[ \left(\frac{\sigma}{\left(r - 
-      \Delta\right)}\right)^{12} - \left(\frac{\sigma}{\left(r - 
-      \Delta\right)}\right)^6 \right] + \epsilon
-$$
-
-\end{document}
diff --git a/doc/src/Eqs/bond_gromos.jpg b/doc/src/Eqs/bond_gromos.jpg
deleted file mode 100644
index 479e6b2d3b..0000000000
Binary files a/doc/src/Eqs/bond_gromos.jpg and /dev/null differ
diff --git a/doc/src/Eqs/bond_gromos.tex b/doc/src/Eqs/bond_gromos.tex
deleted file mode 100644
index 2cd8c39535..0000000000
--- a/doc/src/Eqs/bond_gromos.tex
+++ /dev/null
@@ -1,10 +0,0 @@
-\documentclass[12pt]{article}
-\pagestyle{empty}
-
-\begin{document}
-
-$$
-   E = K (r^2 - r_0^2)^2
-$$
-
-\end{document}
diff --git a/doc/src/Eqs/bond_harmonic.jpg b/doc/src/Eqs/bond_harmonic.jpg
deleted file mode 100644
index fe9ef5619b..0000000000
Binary files a/doc/src/Eqs/bond_harmonic.jpg and /dev/null differ
diff --git a/doc/src/Eqs/bond_harmonic.tex b/doc/src/Eqs/bond_harmonic.tex
deleted file mode 100644
index 2461086898..0000000000
--- a/doc/src/Eqs/bond_harmonic.tex
+++ /dev/null
@@ -1,9 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-
-$$
-   E = K (r - r_0)^2 
-$$
-
-\end{document}
\ No newline at end of file
diff --git a/doc/src/Eqs/bond_harmonic_shift.jpg b/doc/src/Eqs/bond_harmonic_shift.jpg
deleted file mode 100644
index 3e66d853a5..0000000000
Binary files a/doc/src/Eqs/bond_harmonic_shift.jpg and /dev/null differ
diff --git a/doc/src/Eqs/bond_harmonic_shift.tex b/doc/src/Eqs/bond_harmonic_shift.tex
deleted file mode 100644
index 3daa16724f..0000000000
--- a/doc/src/Eqs/bond_harmonic_shift.tex
+++ /dev/null
@@ -1,9 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-
-$$
-   E = \frac{Umin}{(r_0-r_c)^2} \left[ (r-r_0)^2-(r_c-r_0)^2 \right] 
-$$
-
-\end{document}
\ No newline at end of file
diff --git a/doc/src/Eqs/bond_harmonic_shift_cut.jpg b/doc/src/Eqs/bond_harmonic_shift_cut.jpg
deleted file mode 100644
index 06640e4fe0..0000000000
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diff --git a/doc/src/Eqs/bond_harmonic_shift_cut.tex b/doc/src/Eqs/bond_harmonic_shift_cut.tex
deleted file mode 100644
index 3daa16724f..0000000000
--- a/doc/src/Eqs/bond_harmonic_shift_cut.tex
+++ /dev/null
@@ -1,9 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-
-$$
-   E = \frac{Umin}{(r_0-r_c)^2} \left[ (r-r_0)^2-(r_c-r_0)^2 \right] 
-$$
-
-\end{document}
\ No newline at end of file
diff --git a/doc/src/Eqs/bond_mm3.jpg b/doc/src/Eqs/bond_mm3.jpg
deleted file mode 100644
index 2c17739db5..0000000000
Binary files a/doc/src/Eqs/bond_mm3.jpg and /dev/null differ
diff --git a/doc/src/Eqs/bond_mm3.tex b/doc/src/Eqs/bond_mm3.tex
deleted file mode 100644
index 549500ebac..0000000000
--- a/doc/src/Eqs/bond_mm3.tex
+++ /dev/null
@@ -1,9 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-\thispagestyle{empty}
-$$
-  E = K (r - r_0)^2 \left[ 1 - 2.55(r-r_0) + (7/12) 2.55^2(r-r_0)^2 \right]
-$$
-
-\end{document}
diff --git a/doc/src/Eqs/bond_morse.jpg b/doc/src/Eqs/bond_morse.jpg
deleted file mode 100644
index 6795c9e527..0000000000
Binary files a/doc/src/Eqs/bond_morse.jpg and /dev/null differ
diff --git a/doc/src/Eqs/bond_morse.tex b/doc/src/Eqs/bond_morse.tex
deleted file mode 100644
index a0d7a89961..0000000000
--- a/doc/src/Eqs/bond_morse.tex
+++ /dev/null
@@ -1,10 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-
-$$
-%   E = D \left[ 1 - \exp \left( -\alpha (r - r_0) \right) \right]^2 
-   E = D \left[ 1 - e^{-\alpha (r - r_0)} \right]^2 
-$$
-
-\end{document}
\ No newline at end of file
diff --git a/doc/src/Eqs/bond_nonlinear.jpg b/doc/src/Eqs/bond_nonlinear.jpg
deleted file mode 100644
index 0f18d8e73f..0000000000
Binary files a/doc/src/Eqs/bond_nonlinear.jpg and /dev/null differ
diff --git a/doc/src/Eqs/bond_nonlinear.tex b/doc/src/Eqs/bond_nonlinear.tex
deleted file mode 100644
index b8cdc96169..0000000000
--- a/doc/src/Eqs/bond_nonlinear.tex
+++ /dev/null
@@ -1,9 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-
-$$
-  E = \frac{\epsilon (r - r_0)^2}{ [ \lambda^2 - (r - r_0)^2 ]}
-$$
-
-\end{document}
\ No newline at end of file
diff --git a/doc/src/Eqs/bond_oxdna_fene.jpg b/doc/src/Eqs/bond_oxdna_fene.jpg
deleted file mode 100644
index 3d1157a29a..0000000000
Binary files a/doc/src/Eqs/bond_oxdna_fene.jpg and /dev/null differ
diff --git a/doc/src/Eqs/bond_oxdna_fene.tex b/doc/src/Eqs/bond_oxdna_fene.tex
deleted file mode 100644
index ba7248e20b..0000000000
--- a/doc/src/Eqs/bond_oxdna_fene.tex
+++ /dev/null
@@ -1,10 +0,0 @@
-\documentclass[12pt]{article}
-\pagestyle{empty}
-
-\begin{document}
-
-$$ 
-  E = - \frac{\epsilon}{2} \ln \left[ 1 - \left(\frac{r-r0}{\Delta}\right)^2\right]
-$$
-
-\end{document}
diff --git a/doc/src/Eqs/bond_quartic.jpg b/doc/src/Eqs/bond_quartic.jpg
deleted file mode 100644
index 9d092883b2..0000000000
Binary files a/doc/src/Eqs/bond_quartic.jpg and /dev/null differ
diff --git a/doc/src/Eqs/bond_quartic.tex b/doc/src/Eqs/bond_quartic.tex
deleted file mode 100644
index 0d0cceb353..0000000000
--- a/doc/src/Eqs/bond_quartic.tex
+++ /dev/null
@@ -1,11 +0,0 @@
-\documentclass[12pt]{article}
-
-\begin{document}
-
-$$ 
-  E = K (r - R_c)^ 2 (r - R_c - B_1) (r - R_c - B_2) + U_0 +
-  4 \epsilon \left[ \left(\frac{\sigma}{r}\right)^{12} - 
-    \left(\frac{\sigma}{r}\right)^6 \right] + \epsilon
-$$
-
-\end{document}
\ No newline at end of file
diff --git a/doc/src/Eqs/fix_spin_cubic.jpg b/doc/src/Eqs/fix_spin_cubic.jpg
deleted file mode 100644
index 871641111c..0000000000
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diff --git a/doc/src/Eqs/fix_spin_cubic.tex b/doc/src/Eqs/fix_spin_cubic.tex
deleted file mode 100644
index 9c402294d7..0000000000
--- a/doc/src/Eqs/fix_spin_cubic.tex
+++ /dev/null
@@ -1,21 +0,0 @@
-\documentclass[preview]{standalone}
-\usepackage{varwidth}
-\usepackage[utf8x]{inputenc}
-\usepackage{amsmath,amssymb,amsthm,bm}
-\begin{document}
-\begin{varwidth}{50in}
-  \begin{equation}
-    \bm{H}_{cubic} = -\sum_{{ i}=1}^{N} K_{1}
-    \Big[
-    \left(\vec{s}_{i} \cdot \vec{n1} \right)^2
-    \left(\vec{s}_{i} \cdot \vec{n2} \right)^2 +
-    \left(\vec{s}_{i} \cdot \vec{n2} \right)^2
-    \left(\vec{s}_{i} \cdot \vec{n3} \right)^2 +
-    \left(\vec{s}_{i} \cdot \vec{n1} \right)^2
-    \left(\vec{s}_{i} \cdot \vec{n3} \right)^2 \Big]
-    +K_{2}^{(c)} \left(\vec{s}_{i} \cdot \vec{n1} \right)^2
-    \left(\vec{s}_{i} \cdot \vec{n2} \right)^2
-    \left(\vec{s}_{i} \cdot \vec{n3} \right)^2 \nonumber
-  \end{equation}
-\end{varwidth}
-\end{document}
diff --git a/doc/src/Eqs/force_spin_aniso.jpg b/doc/src/Eqs/force_spin_aniso.jpg
deleted file mode 100644
index 8bc9d7421c..0000000000
Binary files a/doc/src/Eqs/force_spin_aniso.jpg and /dev/null differ
diff --git a/doc/src/Eqs/force_spin_aniso.tex b/doc/src/Eqs/force_spin_aniso.tex
deleted file mode 100644
index d6abfd580d..0000000000
--- a/doc/src/Eqs/force_spin_aniso.tex
+++ /dev/null
@@ -1,11 +0,0 @@
-\documentclass[preview]{standalone}
-\usepackage{varwidth}
-\usepackage[utf8x]{inputenc}
-\usepackage{amsmath,amssymb,amsthm,bm}
-\begin{document}
-\begin{varwidth}{50in}
-  \begin{equation}
-    \bm{H}_{aniso}  = -\sum_{{ i}=1}^{N} K_{an}(\bm{r}_{i})\, \left( \vec{s}_{i} \cdot \vec{n}_{i} \right)^2, \nonumber
-  \end{equation}
-\end{varwidth}
-\end{document}
diff --git a/doc/src/Eqs/force_spin_zeeman.jpg b/doc/src/Eqs/force_spin_zeeman.jpg
deleted file mode 100644
index 14fb5500cf..0000000000
Binary files a/doc/src/Eqs/force_spin_zeeman.jpg and /dev/null differ
diff --git a/doc/src/Eqs/force_spin_zeeman.tex b/doc/src/Eqs/force_spin_zeeman.tex
deleted file mode 100644
index d623ef85ae..0000000000
--- a/doc/src/Eqs/force_spin_zeeman.tex
+++ /dev/null
@@ -1,11 +0,0 @@
-\documentclass[preview]{standalone}
-\usepackage{varwidth}
-\usepackage[utf8x]{inputenc}
-\usepackage{amsmath,amssymb,amsthm,bm}
-\begin{document}
-\begin{varwidth}{50in}
-  \begin{equation}
-    \bm{H}_{zeeman} = -\mu_{B}\mu_0\sum_{i=0}^{N}g_{i} \vec{s}_{i} \cdot \vec{H}_{ext} \nonumber 
-  \end{equation}
-\end{varwidth}
-\end{document}
diff --git a/doc/src/Eqs/pair_spin_exchange_forces.jpg b/doc/src/Eqs/pair_spin_exchange_forces.jpg
deleted file mode 100644
index b312a9ccda..0000000000
Binary files a/doc/src/Eqs/pair_spin_exchange_forces.jpg and /dev/null differ
diff --git a/doc/src/Eqs/pair_spin_exchange_forces.tex b/doc/src/Eqs/pair_spin_exchange_forces.tex
deleted file mode 100644
index ac5ef682f3..0000000000
--- a/doc/src/Eqs/pair_spin_exchange_forces.tex
+++ /dev/null
@@ -1,16 +0,0 @@
-\documentclass[preview]{standalone}
-\usepackage{varwidth}
-\usepackage[utf8x]{inputenc}
-\usepackage{amsmath,amssymb,amsthm,bm}
-\begin{document}
-\begin{varwidth}{50in}
-  \begin{equation}
-    \vec{\omega}_{i} = \frac{1}{\hbar} \sum_{j}^{Neighb} {J} 
-    \left(r_{ij} \right)\,\vec{s}_{j} 
-    ~~{\rm and}~~ 
-    \vec{F}_{i} = \sum_{j}^{Neighb} \frac{\partial {J} \left(r_{ij} \right)}{
-    \partial r_{ij}} \left( \vec{s}_{i}\cdot \vec{s}_{j} \right) \vec{e}_{ij}  
-    \nonumber
-  \end{equation}
-\end{varwidth}
-\end{document}
diff --git a/doc/src/Eqs/pair_spin_exchange_function.jpg b/doc/src/Eqs/pair_spin_exchange_function.jpg
deleted file mode 100644
index d9a7ed3ce0..0000000000
Binary files a/doc/src/Eqs/pair_spin_exchange_function.jpg and /dev/null differ
diff --git a/doc/src/Eqs/pair_spin_exchange_function.tex b/doc/src/Eqs/pair_spin_exchange_function.tex
deleted file mode 100644
index 054c6992f0..0000000000
--- a/doc/src/Eqs/pair_spin_exchange_function.tex
+++ /dev/null
@@ -1,13 +0,0 @@
-\documentclass[preview]{standalone}
-\usepackage{varwidth}
-\usepackage[utf8x]{inputenc}
-\usepackage{amsmath, amssymb, graphics, setspace}
-
-\begin{document}
-\begin{varwidth}{50in}
-  \begin{equation}
-    {J}\left( r_{ij} \right) = 4 a \left( \frac{r_{ij}}{d}  \right)^2 \left( 1 - b \left( \frac{r_{ij}}{d}  \right)^2 \right) e^{-\left( \frac{r_{ij}}{d}  
-    \right)^2 }\Theta (R_c - r_{ij}) \nonumber
-  \end{equation}
-\end{varwidth}
-\end{document}
diff --git a/doc/src/Eqs/pair_spin_exchange_interaction.jpg b/doc/src/Eqs/pair_spin_exchange_interaction.jpg
deleted file mode 100644
index c70d8a6554..0000000000
Binary files a/doc/src/Eqs/pair_spin_exchange_interaction.jpg and /dev/null differ
diff --git a/doc/src/Eqs/pair_spin_exchange_interaction.tex b/doc/src/Eqs/pair_spin_exchange_interaction.tex
deleted file mode 100644
index f20b3e5740..0000000000
--- a/doc/src/Eqs/pair_spin_exchange_interaction.tex
+++ /dev/null
@@ -1,11 +0,0 @@
-\documentclass[preview]{standalone}
-\usepackage{varwidth}
-\usepackage[utf8x]{inputenc}
-\usepackage{amsmath,amssymb,amsthm,bm}
-\begin{document}
-\begin{varwidth}{50in}
-  \begin{equation}
-    \bm{H}_{ex} ~=~ -\sum_{i,j,i\neq j}^{N} {J} \left(r_{ij} \right)\, \vec{s}_{i}\cdot \vec{s}_{j} \nonumber
-  \end{equation}
-\end{varwidth}
-\end{document}
diff --git a/doc/src/Eqs/pair_spin_neel_functions.jpg b/doc/src/Eqs/pair_spin_neel_functions.jpg
deleted file mode 100644
index 57023634bf..0000000000
Binary files a/doc/src/Eqs/pair_spin_neel_functions.jpg and /dev/null differ
diff --git a/doc/src/Eqs/pair_spin_neel_functions.tex b/doc/src/Eqs/pair_spin_neel_functions.tex
deleted file mode 100644
index ead5a2b87a..0000000000
--- a/doc/src/Eqs/pair_spin_neel_functions.tex
+++ /dev/null
@@ -1,13 +0,0 @@
-\documentclass[preview]{standalone}
-\usepackage{varwidth}
-\usepackage[utf8x]{inputenc}
-\usepackage{amsmath,amssymb,amsthm,bm}
-\begin{document}
-\begin{varwidth}{50in}
-  \begin{eqnarray}
-    g_1(r_{ij}) &=& g(r_{ij}) + \frac{12}{35} q(r_{ij}) \nonumber \\
-    q_1(r_{ij}) &=& \frac{9}{5} q(r_{ij}) \nonumber \\
-    q_2(r_{ij}) &=& - \frac{2}{5} q(r_{ij}) \nonumber
-  \end{eqnarray}
-\end{varwidth}
-\end{document}
diff --git a/doc/src/Eqs/pair_spin_neel_interaction.jpg b/doc/src/Eqs/pair_spin_neel_interaction.jpg
deleted file mode 100644
index c30600d840..0000000000
Binary files a/doc/src/Eqs/pair_spin_neel_interaction.jpg and /dev/null differ
diff --git a/doc/src/Eqs/pair_spin_neel_interaction.tex b/doc/src/Eqs/pair_spin_neel_interaction.tex
deleted file mode 100644
index 8b4ac33e73..0000000000
--- a/doc/src/Eqs/pair_spin_neel_interaction.tex
+++ /dev/null
@@ -1,16 +0,0 @@
-\documentclass[preview]{standalone}
-\usepackage{varwidth}
-\usepackage[utf8x]{inputenc}
-\usepackage{amsmath,amssymb,amsthm,bm}
-\begin{document}
-\begin{varwidth}{50in}
-  \begin{equation}
-    \mathcal{H}_{N\acute{e}el}=-\sum_{{ i,j=1,i\neq j}}^N g_1(r_{ij})\left(({\bm e}_{ij}\cdot {\bm s}_{i})({\bm e}_{ij}
-    \cdot {\bm s}_{j})-\frac{{\bm s}_{i}\cdot{\bm s}_{j}}{3} \right)
-    +q_1(r_{ij})\left( ({\bm e}_{ij}\cdot {\bm s}_{i})^2 -\frac{{\bm s}_{i}\cdot{\bm s}_{j}}{3}\right)
-    \left( ({\bm e}_{ij}\cdot {\bm s}_{i})^2 -\frac{{\bm s}_{i}\cdot{\bm s}_{j}}{3} \right)
-    + q_2(r_{ij}) \Big( ({\bm e}_{ij}\cdot {\bm s}_{i}) ({\bm e}_{ij}\cdot {\bm s}_{j})^3 + ({\bm e}_{ij}\cdot
-    {\bm s}_{j}) ({\bm e}_{ij}\cdot {\bm s}_{i})^3\Big) \nonumber
-  \end{equation}
-\end{varwidth}
-\end{document}
diff --git a/doc/src/Howto_pylammps.rst b/doc/src/Howto_pylammps.rst
index 64f1cc6036..2711e26914 100644
--- a/doc/src/Howto_pylammps.rst
+++ b/doc/src/Howto_pylammps.rst
@@ -362,18 +362,17 @@ accessible through its thermo name:
 
 .. code-block:: Python
 
-   L.runs[0].step # list of time steps in first run
-   L.runs[0].ke   # list of kinetic energy values in first run
+   L.runs[0].thermo.Step # list of time steps in first run
+   L.runs[0].thermo.Ke   # list of kinetic energy values in first run
 
 Together with matplotlib plotting data out of LAMMPS becomes simple:
 
-import matplotlib.plot as plt
-
 
 .. code-block:: Python
 
-   steps = L.runs[0].step
-   ke    = L.runs[0].ke
+   import matplotlib.plot as plt
+   steps = L.runs[0].thermo.Step
+   ke    = L.runs[0].thermo.Ke
    plt.plot(steps, ke)
 
 Error handling with PyLammps
diff --git a/doc/src/Install_conda.rst b/doc/src/Install_conda.rst
index 04b8054353..33188e2540 100644
--- a/doc/src/Install_conda.rst
+++ b/doc/src/Install_conda.rst
@@ -32,12 +32,10 @@ install the `openkim-models` package
 
 If you have problems with the installation you can post issues to
 `this link <conda_forge_lammps_>`_.
-
-.. _conda_forge_lammps: https://github.com/conda-forge/lammps-feedstock/issues
-
-Thanks to Jan Janssen (Max-Planck-Institut für Eisenforschung) for setting
+Thanks to Jan Janssen (Max-Planck-Institut fuer Eisenforschung) for setting
 up the Conda capability.
 
+.. _conda_forge_lammps: https://github.com/conda-forge/lammps-feedstock/issues
 
 .. _openkim: https://openkim.org
 
@@ -45,9 +43,6 @@ up the Conda capability.
 
 .. _mini_conda_install: https://docs.conda.io/en/latest/miniconda.html
 
-
-
-
 .. _lws: http://lammps.sandia.gov
 .. _ld: Manual.html
 .. _lc: Commands_all.html
diff --git a/doc/src/JPG/zeeman_langevin.jpg b/doc/src/JPG/zeeman_langevin.jpg
new file mode 100644
index 0000000000..53ce77d2a8
Binary files /dev/null and b/doc/src/JPG/zeeman_langevin.jpg differ
diff --git a/doc/src/_ext/table_from_list.py b/doc/src/_ext/table_from_list.py
new file mode 100644
index 0000000000..715a3c2488
--- /dev/null
+++ b/doc/src/_ext/table_from_list.py
@@ -0,0 +1,61 @@
+from docutils import nodes
+from sphinx.util.docutils import SphinxDirective
+from docutils.nodes import Element, Node
+from typing import Any, Dict, List
+from sphinx import addnodes
+from sphinx.util import logging
+from sphinx.errors import SphinxError
+
+class TableFromList(SphinxDirective):
+    has_content = True
+    required_arguments = 0
+    optional_arguments = 0
+    final_argument_whitespace = False
+    option_spec = {
+        'columns': int,
+    }
+
+    def run(self) -> List[Node]:
+        ncolumns = self.options.get('columns', 2)
+        node = addnodes.compact_paragraph()
+        node.document = self.state.document
+        self.state.nested_parse(self.content, self.content_offset, node)
+        if len(node.children) != 1 or not isinstance(node.children[0],
+                                                     nodes.bullet_list):
+            reporter = self.state.document.reporter
+            raise SphinxError('table_from_list content is not a list')
+        fulllist = node.children[0]
+
+        if (len(fulllist) % ncolumns) != 0:
+            raise SphinxError('number of list elements not a multiple of column number')
+
+        table = nodes.table()
+        tgroup = nodes.tgroup(cols=ncolumns)
+        table += tgroup
+
+        for i in range(ncolumns):
+            tgroup += nodes.colspec(colwidth=1)
+
+        tbody = nodes.tbody()
+        tgroup += tbody
+        current_row = nodes.row()
+
+        for idx, cell in enumerate(fulllist.children):
+            if len(current_row.children) == ncolumns:
+                tbody += current_row
+                current_row = nodes.row()
+            entry = nodes.entry()
+            current_row += entry
+            if len(cell.children) > 0:
+                entry += cell.children[0]
+
+        tbody += current_row
+        return [table]
+
+def setup(app):
+    app.add_directive("table_from_list", TableFromList)
+    return {
+        'version': '0.1',
+        'parallel_read_safe': True,
+        'parallel_write_safe': True,
+    }
diff --git a/doc/src/angle_charmm.rst b/doc/src/angle_charmm.rst
index 561e6cfab3..92ab8b5ea3 100644
--- a/doc/src/angle_charmm.rst
+++ b/doc/src/angle_charmm.rst
@@ -1,22 +1,22 @@
-.. index:: angle\_style charmm
+.. index:: angle_style charmm
 
-angle\_style charmm command
-===========================
+angle_style charmm command
+==========================
 
-angle\_style charmm/intel command
-=================================
+angle_style charmm/intel command
+================================
 
-angle\_style charmm/kk command
+angle_style charmm/kk command
+=============================
+
+angle_style charmm/omp command
 ==============================
 
-angle\_style charmm/omp command
-===============================
-
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style charmm
 
@@ -24,7 +24,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style charmm
    angle_coeff 1 300.0 107.0 50.0 3.0
@@ -34,12 +34,15 @@ Description
 
 The *charmm* angle style uses the potential
 
-.. image:: Eqs/angle_charmm.jpg
-   :align: center
+.. math::
 
-with an additional Urey\_Bradley term based on the distance *r* between
-the 1st and 3rd atoms in the angle.  K, theta0, Kub, and Rub are
-coefficients defined for each angle type.
+   E = K (\theta - \theta_0)^2 + K_{ub} (r - r_{ub})^2
+
+
+with an additional Urey\_Bradley term based on the distance :math:`r` between
+the 1st and 3rd atoms in the angle.  :math:`K`, :math:`\theta_0`,
+:math:`K_{ub}`, and :math:`R_{ub}` are coefficients defined for each angle
+type.
 
 See :ref:`(MacKerell) <angle-MacKerell>` for a description of the CHARMM force
 field.
@@ -49,13 +52,13 @@ The following coefficients must be defined for each angle type via the
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* K (energy/radian\^2)
-* theta0 (degrees)
-* K\_ub (energy/distance\^2)
-* r\_ub (distance)
+* :math:`K` (energy/radian\^2)
+* :math:`\theta_0` (degrees)
+* :math:`K_{ub}` (energy/distance\^2)
+* :math:`r_{ub}` (distance)
 
-Theta0 is specified in degrees, but LAMMPS converts it to radians
-internally; hence the units of K are in energy/radian\^2.
+:math:`\theta_0` is specified in degrees, but LAMMPS converts it to radians
+internally; hence the units of :math:`K` are in energy/radian\^2.
 
 
 ----------
@@ -108,8 +111,3 @@ Related commands
 
 **(MacKerell)** MacKerell, Bashford, Bellott, Dunbrack, Evanseck, Field,
 Fischer, Gao, Guo, Ha, et al, J Phys Chem, 102, 3586 (1998).
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/angle_class2.rst b/doc/src/angle_class2.rst
index c7e5eb13ef..9d1ff8e8e7 100644
--- a/doc/src/angle_class2.rst
+++ b/doc/src/angle_class2.rst
@@ -1,22 +1,22 @@
-.. index:: angle\_style class2
+.. index:: angle_style class2
 
-angle\_style class2 command
-===========================
+angle_style class2 command
+==========================
 
-angle\_style class2/kk command
+angle_style class2/kk command
+=============================
+
+angle_style class2/omp command
 ==============================
 
-angle\_style class2/omp command
-===============================
-
-angle\_style class2/p6 command
-==============================
+angle_style class2/p6 command
+=============================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style class2
 
@@ -24,44 +24,49 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style class2
-   angle_coeff \* 75.0
+   angle_coeff * 75.0
    angle_coeff 1 bb 10.5872 1.0119 1.5228
-   angle_coeff \* ba 3.6551 24.895 1.0119 1.5228
+   angle_coeff * ba 3.6551 24.895 1.0119 1.5228
 
 Description
 """""""""""
 
 The *class2* angle style uses the potential
 
-.. image:: Eqs/angle_class2.jpg
-   :align: center
+.. math::
 
-where Ea is the angle term, Ebb is a bond-bond term, and Eba is a
-bond-angle term.  Theta0 is the equilibrium angle and r1 and r2 are
+   E & = E_a + E_{bb} + E_{ba} \\
+   E_a & = K_2 (\theta - \theta_0)^2 + K_3 (\theta - \theta_0)^3 + K_4(\theta - \theta_0)^4 \\
+   E_{bb} & = M (r_{ij} - r_1) (r_{jk} - r_2) \\
+   E_{ba} & = N_1 (r_{ij} - r_1) (\theta - \theta_0) + N_2(r_{jk} - r_2)(\theta - \theta_0)
+
+
+where :math:`E_a` is the angle term, :math:`E_{bb}` is a bond-bond term, and :math:`E_{ba}` is a
+bond-angle term.  :math:`\theta_0` is the equilibrium angle and :math:`r_1` and :math:`r_2` are
 the equilibrium bond lengths.
 
 See :ref:`(Sun) <angle-Sun>` for a description of the COMPASS class2 force field.
 
-Coefficients for the Ea, Ebb, and Eba formulas must be defined for
+Coefficients for the :math:`E_a`, :math:`E_{bb}`, and :math:`E_{ba}` formulas must be defined for
 each angle type via the :doc:`angle\_coeff <angle_coeff>` command as in
 the example above, or in the data file or restart files read by the
 :doc:`read\_data <read_data>` or :doc:`read\_restart <read_restart>`
 commands.
 
-These are the 4 coefficients for the Ea formula:
+These are the 4 coefficients for the :math:`E_a` formula:
 
-* theta0 (degrees)
-* K2 (energy/radian\^2)
-* K3 (energy/radian\^3)
-* K4 (energy/radian\^4)
+* :math:`\theta_0` (degrees)
+* :math:`K_2` (energy/radian\^2)
+* :math:`K_3` (energy/radian\^3)
+* :math:`K_4` (energy/radian\^4)
 
-Theta0 is specified in degrees, but LAMMPS converts it to radians
-internally; hence the units of the various K are in per-radian.
+:math:`\theta_0` is specified in degrees, but LAMMPS converts it to radians
+internally; hence the units of the various :math:`K` are in per-radian.
 
-For the Ebb formula, each line in a :doc:`angle\_coeff <angle_coeff>`
+For the :math:`E_{bb}` formula, each line in a :doc:`angle\_coeff <angle_coeff>`
 command in the input script lists 4 coefficients, the first of which
 is "bb" to indicate they are BondBond coefficients.  In a data file,
 these coefficients should be listed under a "BondBond Coeffs" heading
@@ -69,11 +74,11 @@ and you must leave out the "bb", i.e. only list 3 coefficients after
 the angle type.
 
 * bb
-* M (energy/distance\^2)
-* r1 (distance)
-* r2 (distance)
+* :math:`M` (energy/distance\^2)
+* :math:`r_1` (distance)
+* :math:`r_2` (distance)
 
-For the Eba formula, each line in a :doc:`angle\_coeff <angle_coeff>`
+For the :math:`E_{ba}` formula, each line in a :doc:`angle\_coeff <angle_coeff>`
 command in the input script lists 5 coefficients, the first of which
 is "ba" to indicate they are BondAngle coefficients.  In a data file,
 these coefficients should be listed under a "BondAngle Coeffs" heading
@@ -81,13 +86,13 @@ and you must leave out the "ba", i.e. only list 4 coefficients after
 the angle type.
 
 * ba
-* N1 (energy/distance\^2)
-* N2 (energy/distance\^2)
-* r1 (distance)
-* r2 (distance)
+* :math:`N_1` (energy/distance\^2)
+* :math:`N_2` (energy/distance\^2)
+* :math:`r_1` (distance)
+* :math:`r_2` (distance)
 
-The theta0 value in the Eba formula is not specified, since it is the
-same value from the Ea formula.
+The :math:`\theta_0` value in the :math:`E_{ba}` formula is not specified,
+since it is the same value from the :math:`E_a` formula.
 
 
 ----------
@@ -117,17 +122,19 @@ instructions on how to use the accelerated styles effectively.
 
 The *class2/p6* angle style uses the *class2* potential expanded to sixth order:
 
-.. image:: Eqs/angle_class2_p6.jpg
-   :align: center
+.. math::
 
-In this expanded term 6 coefficients for the Ea formula need to be set:
+   E_{a} = K_2\left(\theta - \theta_0\right)^2 + K_3\left(\theta - \theta_0\right)^3 + K_4\left(\theta - \theta_0\right)^4 + K_5\left(\theta - \theta_0\right)^5 + K_6\left(\theta - \theta_0\right)^6
 
-* theta0 (degrees)
-* K2 (energy/radian\^2)
-* K3 (energy/radian\^3)
-* K4 (energy/radian\^4)
-* K5 (energy/radian\^5)
-* K6 (energy/radian\^6)
+
+In this expanded term 6 coefficients for the :math:`E_a` formula need to be set:
+
+* :math:`\theta_0` (degrees)
+* :math:`K_2` (energy/radian\^2)
+* :math:`K_3` (energy/radian\^3)
+* :math:`K_4` (energy/radian\^4)
+* :math:`K_5` (energy/radian\^5)
+* :math:`K_6` (energy/radian\^6)
 
 The bond-bond and bond-angle terms remain unchanged.
 
@@ -160,8 +167,3 @@ Related commands
 
 
 **(Sun)** Sun, J Phys Chem B 102, 7338-7364 (1998).
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/angle_coeff.rst b/doc/src/angle_coeff.rst
index 1e54f69051..5f9a71371a 100644
--- a/doc/src/angle_coeff.rst
+++ b/doc/src/angle_coeff.rst
@@ -1,13 +1,13 @@
-.. index:: angle\_coeff
+.. index:: angle_coeff
 
-angle\_coeff command
-====================
+angle_coeff command
+===================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_coeff N args
 
@@ -18,11 +18,11 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_coeff 1 300.0 107.0
-   angle_coeff \* 5.0
-   angle_coeff 2\*10 5.0
+   angle_coeff * 5.0
+   angle_coeff 2*10 5.0
 
 Description
 """""""""""
@@ -30,7 +30,7 @@ Description
 Specify the angle force field coefficients for one or more angle types.
 The number and meaning of the coefficients depends on the angle style.
 Angle coefficients can also be set in the data file read by the
-:doc:`read\_data <read_data>` command or in a restart file.
+:doc:`read_data <read_data>` command or in a restart file.
 
 N can be specified in one of two ways.  An explicit numeric value can
 be used, as in the 1st example above.  Or a wild-card asterisk can be
@@ -41,18 +41,18 @@ leading asterisk means all types from 1 to n (inclusive).  A trailing
 asterisk means all types from n to N (inclusive).  A middle asterisk
 means all types from m to n (inclusive).
 
-Note that using an angle\_coeff command can override a previous setting
+Note that using an :doc:`angle_coeff <angle_coeff>` command can override a previous setting
 for the same angle type.  For example, these commands set the coeffs
 for all angle types, then overwrite the coeffs for just angle type 2:
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
-   angle_coeff \* 200.0 107.0 1.2
+   angle_coeff * 200.0 107.0 1.2
    angle_coeff 2 50.0 107.0
 
 A line in a data file that specifies angle coefficients uses the exact
-same format as the arguments of the angle\_coeff command in an input
+same format as the arguments of the :doc:`angle_coeff <angle_coeff>` command in an input
 script, except that wild-card asterisks should not be used since
 coefficients for all N types must be listed in the file.  For example,
 under the "Angle Coeffs" section of a data file, the line that
@@ -63,7 +63,7 @@ corresponds to the 1st example above would be listed as
 
    1 300.0 107.0
 
-The :doc:`angle\_style class2 <angle_class2>` is an exception to this
+The :doc:`angle_style class2 <angle_class2>` is an exception to this
 rule, in that an additional argument is used in the input script to
 allow specification of the cross-term coefficients.   See its
 doc page for details.
@@ -73,13 +73,13 @@ doc page for details.
 
 
 The list of all angle styles defined in LAMMPS is given on the
-:doc:`angle\_style <angle_style>` doc page.  They are also listed in more
+:doc:`angle_style <angle_style>` doc page.  They are also listed in more
 compact form on the :ref:`Commands angle <angle>` doc
 page.
 
 On either of those pages, click on the style to display the formula it
 computes and its coefficients as specified by the associated
-angle\_coeff command.
+:doc:`angle_coeff <angle_coeff>` command.
 
 
 ----------
@@ -90,8 +90,8 @@ Restrictions
 
 
 This command must come after the simulation box is defined by a
-:doc:`read\_data <read_data>`, :doc:`read\_restart <read_restart>`, or
-:doc:`create\_box <create_box>` command.
+:doc:`read_data <read_data>`, :doc:`read_restart <read_restart>`, or
+:doc:`create_box <create_box>` command.
 
 An angle style must be defined before any angle coefficients are
 set, either in the input script or in a data file.
@@ -99,11 +99,6 @@ set, either in the input script or in a data file.
 Related commands
 """"""""""""""""
 
-:doc:`angle\_style <angle_style>`
+:doc:`angle_style <angle_style>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/angle_cosine.rst b/doc/src/angle_cosine.rst
index b90b63571c..68bfdbb82b 100644
--- a/doc/src/angle_cosine.rst
+++ b/doc/src/angle_cosine.rst
@@ -1,19 +1,19 @@
-.. index:: angle\_style cosine
+.. index:: angle_style cosine
 
-angle\_style cosine command
-===========================
+angle_style cosine command
+==========================
 
-angle\_style cosine/omp command
-===============================
-
-angle\_style cosine/kk command
+angle_style cosine/omp command
 ==============================
 
+angle_style cosine/kk command
+=============================
+
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style cosine
 
@@ -21,27 +21,29 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style cosine
-   angle_coeff \* 75.0
+   angle_coeff * 75.0
 
 Description
 """""""""""
 
 The *cosine* angle style uses the potential
 
-.. image:: Eqs/angle_cosine.jpg
-   :align: center
+.. math::
 
-where K is defined for each angle type.
+   E = K [1 + \cos(\theta)]
+
+
+where :math:`K` is defined for each angle type.
 
 The following coefficients must be defined for each angle type via the
 :doc:`angle\_coeff <angle_coeff>` command as in the example above, or in
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* K (energy)
+* :math:`K` (energy)
 
 
 ----------
@@ -83,8 +85,3 @@ Related commands
 :doc:`angle\_coeff <angle_coeff>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/angle_cosine_buck6d.rst b/doc/src/angle_cosine_buck6d.rst
index 7bcc7f21e2..2d00863b02 100644
--- a/doc/src/angle_cosine_buck6d.rst
+++ b/doc/src/angle_cosine_buck6d.rst
@@ -1,13 +1,13 @@
-.. index:: angle\_style cosine/buck6d
+.. index:: angle_style cosine/buck6d
 
-angle\_style cosine/buck6d command
-==================================
+angle_style cosine/buck6d command
+=================================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style cosine/buck6d
 
@@ -15,7 +15,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style cosine/buck6d
    angle_coeff 1  cosine/buck6d  1.978350  4  180.000000
@@ -25,22 +25,23 @@ Description
 
 The *cosine/buck6d* angle style uses the potential
 
-.. image:: Eqs/angle_cosine_buck6d.jpg
-   :align: center
+.. math::
 
-where K is the energy constant, n is the periodic multiplicity and
-Theta0 is the equilibrium angle.
+   E = K \left[ 1 + \cos(n\theta - \theta_0)\right]
+
+where :math:`K` is the energy constant, :math:`n` is the periodic multiplicity and
+:math:`\theta_0` is the equilibrium angle.
 
 The coefficients must be defined for each angle type via the
 :doc:`angle\_coeff <angle_coeff>` command as in the example above, or in
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands in the following order:
 
-* K (energy)
-* n
-* Theta0 (degrees)
+* :math:`K` (energy)
+* :math:`n`
+* :math:`\theta_0` (degrees)
 
-Theta0 is specified in degrees, but LAMMPS converts it to radians
+:math:`\theta_0` is specified in degrees, but LAMMPS converts it to radians
 internally.
 
 Additional to the cosine term the *cosine/buck6d* angle style computes
@@ -73,8 +74,3 @@ Related commands
 :doc:`angle\_coeff <angle_coeff>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/angle_cosine_delta.rst b/doc/src/angle_cosine_delta.rst
index be8f209145..9af93cb06a 100644
--- a/doc/src/angle_cosine_delta.rst
+++ b/doc/src/angle_cosine_delta.rst
@@ -1,16 +1,16 @@
-.. index:: angle\_style cosine/delta
+.. index:: angle_style cosine/delta
 
-angle\_style cosine/delta command
-=================================
+angle_style cosine/delta command
+================================
 
-angle\_style cosine/delta/omp command
-=====================================
+angle_style cosine/delta/omp command
+====================================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style cosine/delta
 
@@ -18,31 +18,33 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style cosine/delta
-   angle_coeff 2\*4 75.0 100.0
+   angle_coeff 2*4 75.0 100.0
 
 Description
 """""""""""
 
 The *cosine/delta* angle style uses the potential
 
-.. image:: Eqs/angle_cosine_delta.jpg
-   :align: center
+.. math::
 
-where theta0 is the equilibrium value of the angle, and K is a
-prefactor.  Note that the usual 1/2 factor is included in K.
+   E = K [1 - \cos(\theta - \theta_0)]
+
+
+where :math:`\theta_0` is the equilibrium value of the angle, and :math:`K` is a
+prefactor.  Note that the usual 1/2 factor is included in :math:`K`.
 
 The following coefficients must be defined for each angle type via the
 :doc:`angle\_coeff <angle_coeff>` command as in the example above, or in
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* K (energy)
-* theta0 (degrees)
+* :math:`K` (energy)
+* :math:`\theta_0` (degrees)
 
-Theta0 is specified in degrees, but LAMMPS converts it to radians
+:math:`\theta_0` is specified in degrees, but LAMMPS converts it to radians
 internally.
 
 
@@ -85,8 +87,3 @@ Related commands
 :doc:`angle\_coeff <angle_coeff>`, :doc:`angle\_style cosine/squared <angle_cosine_squared>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/angle_cosine_periodic.rst b/doc/src/angle_cosine_periodic.rst
index 43e5c0a4bf..caaf15007a 100644
--- a/doc/src/angle_cosine_periodic.rst
+++ b/doc/src/angle_cosine_periodic.rst
@@ -1,16 +1,16 @@
-.. index:: angle\_style cosine/periodic
+.. index:: angle_style cosine/periodic
 
-angle\_style cosine/periodic command
-====================================
+angle_style cosine/periodic command
+===================================
 
-angle\_style cosine/periodic/omp command
-========================================
+angle_style cosine/periodic/omp command
+=======================================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style cosine/periodic
 
@@ -18,24 +18,26 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style cosine/periodic
-   angle_coeff \* 75.0 1 6
+   angle_coeff * 75.0 1 6
 
 Description
 """""""""""
 
 The *cosine/periodic* angle style uses the following potential, which
 is commonly used in the :doc:`DREIDING <Howto_bioFF>` force field,
-particularly for organometallic systems where *n* = 4 might be used
-for an octahedral complex and *n* = 3 might be used for a trigonal
+particularly for organometallic systems where :math:`n` = 4 might be used
+for an octahedral complex and :math:`n` = 3 might be used for a trigonal
 center:
 
-.. image:: Eqs/angle_cosine_periodic.jpg
-   :align: center
+.. math::
 
-where C, B and n are coefficients defined for each angle type.
+   E = C \left[ 1 - B(-1)^n\cos\left( n\theta\right) \right]
+
+
+where :math:`C`, :math:`B` and :math:`n` are coefficients defined for each angle type.
 
 See :ref:`(Mayo) <cosine-Mayo>` for a description of the DREIDING force field
 
@@ -44,13 +46,13 @@ The following coefficients must be defined for each angle type via the
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* C (energy)
-* B = 1 or -1
-* n = 1, 2, 3, 4, 5 or 6 for periodicity
+* :math:`C` (energy)
+* :math:`B` = 1 or -1
+* :math:`n` = 1, 2, 3, 4, 5 or 6 for periodicity
 
-Note that the prefactor C is specified and not the overall force
-constant K = C / n\^2.  When B = 1, it leads to a minimum for the
-linear geometry.  When B = -1, it leads to a maximum for the linear
+Note that the prefactor :math:`C` is specified and not the overall force
+constant :math:`K = \frac{C}{n^2}`.  When :math:`B = 1`, it leads to a minimum for the
+linear geometry.  When :math:`B = -1`, it leads to a maximum for the linear
 geometry.
 
 
@@ -104,8 +106,3 @@ Related commands
 
 **(Mayo)** Mayo, Olfason, Goddard III, J Phys Chem, 94, 8897-8909
 (1990).
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/angle_cosine_shift.rst b/doc/src/angle_cosine_shift.rst
index 7bceb571b4..bd7b6416c7 100644
--- a/doc/src/angle_cosine_shift.rst
+++ b/doc/src/angle_cosine_shift.rst
@@ -1,16 +1,16 @@
-.. index:: angle\_style cosine/shift
+.. index:: angle_style cosine/shift
 
-angle\_style cosine/shift command
+angle_style cosine/shift command
 =================================
 
-angle\_style cosine/shift/omp command
-=====================================
+angle_style cosine/shift/omp command
+====================================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style cosine/shift
 
@@ -18,30 +18,33 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style cosine/shift
-   angle_coeff \* 10.0 45.0
+   angle_coeff * 10.0 45.0
 
 Description
 """""""""""
 
 The *cosine/shift* angle style uses the potential
 
-.. image:: Eqs/angle_cosine_shift.jpg
-   :align: center
+.. math::
 
-where theta0 is the equilibrium angle. The potential is bounded
-between -Umin and zero. In the neighborhood of the minimum E=- Umin +
-Umin/4(theta-theta0)\^2 hence the spring constant is umin/2.
+   E = -\frac{U_{\text{min}}}{2} \left[ 1 + \cos(\theta-\theta_0) \right]
+
+
+where :math:`\theta_0` is the equilibrium angle. The potential is bounded
+between :math:`-U_{\text{min}}` and zero. In the neighborhood of the minimum
+:math:`E = - U_{\text{min}} + U_{\text{min}}/4(\theta - \theta_0)^2` hence
+the spring constant is :math:`\frac{U_{\text{min}}}{2}`.
 
 The following coefficients must be defined for each angle type via the
 :doc:`angle\_coeff <angle_coeff>` command as in the example above, or in
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* umin (energy)
-* theta (angle)
+* :math:`U_{\text{min}}` (energy)
+* :math:`\theta` (angle)
 
 
 ----------
@@ -83,8 +86,3 @@ Related commands
 :doc:`angle\_cosine\_shift\_exp <angle_cosine_shift_exp>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/angle_cosine_shift_exp.rst b/doc/src/angle_cosine_shift_exp.rst
index b4af85352d..331ccb9da7 100644
--- a/doc/src/angle_cosine_shift_exp.rst
+++ b/doc/src/angle_cosine_shift_exp.rst
@@ -1,16 +1,16 @@
-.. index:: angle\_style cosine/shift/exp
+.. index:: angle_style cosine/shift/exp
 
-angle\_style cosine/shift/exp command
-=====================================
+angle_style cosine/shift/exp command
+====================================
 
-angle\_style cosine/shift/exp/omp command
-=========================================
+angle_style cosine/shift/exp/omp command
+========================================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style cosine/shift/exp
 
@@ -18,32 +18,33 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style cosine/shift/exp
-   angle_coeff \* 10.0 45.0 2.0
+   angle_coeff * 10.0 45.0 2.0
 
 Description
 """""""""""
 
 The *cosine/shift/exp* angle style uses the potential
 
-.. image:: Eqs/angle_cosine_shift_exp.jpg
-   :align: center
+.. math::
 
-where Umin, theta, and a are defined for each angle type.
+   E = -U_{\text{min}} \frac{e^{-a U(\theta,\theta_0)}-1}{e^a-1} \quad \text{with} \quad U(\theta,\theta_0) = -0.5 \left(1+\cos(\theta-\theta_0) \right)
 
-The potential is bounded between [-Umin:0] and the minimum is
-located at the angle theta0. The a parameter can be both positive or
+where :math:`U_{\text{min}}`, :math:`\theta`, and :math:`a` are defined for each angle type.
+
+The potential is bounded between :math:`[-U_{\text{min}}, 0]` and the minimum is
+located at the angle :math:`\theta_0`. The a parameter can be both positive or
 negative and is used to control the spring constant at the
 equilibrium.
 
-The spring constant is given by k = A exp(A) Umin / [2 (Exp(a)-1)].
-For a > 3, k/Umin = a/2 to better than 5% relative error. For negative
-values of the a parameter, the spring constant is essentially zero,
+The spring constant is given by :math:`k = A \exp(A) U_{\text{min}} / [2 (\exp(a)-1)]`.
+For :math:`a > 3`, :math:`\frac{k}{U_{\text{min}}} = \frac{a}{2}` to better than 5% relative error. For negative
+values of the :math:`a` parameter, the spring constant is essentially zero,
 and anharmonic terms takes over. The potential is furthermore well
-behaved in the limit a -> 0, where it has been implemented to linear
-order in a for a < 0.001. In this limit the potential reduces to the
+behaved in the limit :math:`a \rightarrow 0`, where it has been implemented to linear
+order in :math:`a` for :math:`a < 0.001`. In this limit the potential reduces to the
 cosineshifted potential.
 
 The following coefficients must be defined for each angle type via the
@@ -51,9 +52,9 @@ The following coefficients must be defined for each angle type via the
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* umin (energy)
-* theta (angle)
-* A (real number)
+* :math:`U_min` (energy)
+* :math:`\theta` (angle)
+* :math:`A` (real number)
 
 
 ----------
@@ -97,8 +98,3 @@ Related commands
 :doc:`dihedral\_cosine\_shift\_exp <dihedral_cosine_shift_exp>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/angle_cosine_squared.rst b/doc/src/angle_cosine_squared.rst
index 694e7ac316..b1a516880d 100644
--- a/doc/src/angle_cosine_squared.rst
+++ b/doc/src/angle_cosine_squared.rst
@@ -1,16 +1,16 @@
-.. index:: angle\_style cosine/squared
+.. index:: angle_style cosine/squared
 
-angle\_style cosine/squared command
-===================================
+angle_style cosine/squared command
+==================================
 
-angle\_style cosine/squared/omp command
-=======================================
+angle_style cosine/squared/omp command
+======================================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style cosine/squared
 
@@ -18,31 +18,33 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style cosine/squared
-   angle_coeff 2\*4 75.0 100.0
+   angle_coeff 2*4 75.0 100.0
 
 Description
 """""""""""
 
 The *cosine/squared* angle style uses the potential
 
-.. image:: Eqs/angle_cosine_squared.jpg
-   :align: center
+.. math::
 
-where theta0 is the equilibrium value of the angle, and K is a
-prefactor.  Note that the usual 1/2 factor is included in K.
+   E = K [\cos(\theta) - \cos(\theta_0)]^2
+
+
+where :math:`\theta_0` is the equilibrium value of the angle, and :math:`K` is a
+prefactor.  Note that the usual 1/2 factor is included in :math:`K`.
 
 The following coefficients must be defined for each angle type via the
 :doc:`angle\_coeff <angle_coeff>` command as in the example above, or in
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* K (energy)
-* theta0 (degrees)
+* :math:`K` (energy)
+* :math:`\theta_0` (degrees)
 
-Theta0 is specified in degrees, but LAMMPS converts it to radians
+:math:`\theta_0` is specified in degrees, but LAMMPS converts it to radians
 internally.
 
 
@@ -85,8 +87,3 @@ Related commands
 :doc:`angle\_coeff <angle_coeff>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/angle_cross.rst b/doc/src/angle_cross.rst
index 6c79776493..7dcff0264f 100644
--- a/doc/src/angle_cross.rst
+++ b/doc/src/angle_cross.rst
@@ -1,13 +1,13 @@
-.. index:: angle\_style cross
+.. index:: angle_style cross
 
-angle\_style cross command
+angle_style cross command
 ==========================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style cross
 
@@ -15,7 +15,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style cross
    angle_coeff 1 200.0 100.0 100.0 1.25 1.25 107.0
@@ -26,13 +26,14 @@ Description
 The *cross* angle style uses a potential that couples the bond stretches of
 a bend with the angle stretch of that bend:
 
-.. image:: Eqs/angle_cross.jpg
-   :align: center
+.. math::
 
-where r12,0 is the rest value of the bond length between atom 1 and 2,
-r32,0 is the rest value of the bond length between atom 2 and 2,
-and theta0 is the rest value of the angle. KSS is the force constant of
-the bond stretch-bond stretch term and KBS0 and KBS1 are the force constants
+   E = K_{SS} \left(r_{12}-r_{12,0}\right)\left(r_{32}-r_{32,0}\right) + K_{BS0}\left(r_{12}-r_{12,0}\right)\left(\theta-\theta_0\right) + K_{BS1}\left(r_{32}-r_{32,0}\right)\left(\theta-\theta_0\right)
+
+where :math:`r_{12,0}` is the rest value of the bond length between atom 1 and 2,
+:math:`r_{32,0}` is the rest value of the bond length between atom 3 and 2,
+and :math:`\theta_0` is the rest value of the angle. :math:`K_{SS}` is the force constant of
+the bond stretch-bond stretch term and :math:`K_{BS0}` and :math:`K_{BS1}` are the force constants
 of the bond stretch-angle stretch terms.
 
 The following coefficients must be defined for each angle type via the
@@ -40,15 +41,15 @@ The following coefficients must be defined for each angle type via the
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* KSS (energy/distance\^2)
-* KBS0 (energy/distance/rad)
-* KBS1 (energy/distance/rad)
-* r12,0 (distance)
-* r32,0 (distance)
-* theta0 (degrees)
+* :math:`K_{SS}` (energy/distance\^2)
+* :math:`K_{BS0}` (energy/distance/rad)
+* :math:`K_{BS1}` (energy/distance/rad)
+* :math:`r_{12,0}` (distance)
+* :math:`r_{32,0}` (distance)
+* :math:`\theta_0` (degrees)
 
-Theta0 is specified in degrees, but LAMMPS converts it to radians
-internally; hence the units of KBS0 and KBS1 are in energy/distance/radian.
+:math:`\theta_0` is specified in degrees, but LAMMPS converts it to radians
+internally; hence the units of :math:`K_{BS0}` and :math:`K_{BS1}` are in energy/distance/radian.
 
 Restrictions
 """"""""""""
@@ -64,12 +65,3 @@ Related commands
 :doc:`angle\_coeff <angle_coeff>`
 
 **Default:** none
-
-
-----------
-
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/angle_dipole.rst b/doc/src/angle_dipole.rst
index dac03c03b5..351572cc22 100644
--- a/doc/src/angle_dipole.rst
+++ b/doc/src/angle_dipole.rst
@@ -1,16 +1,16 @@
-.. index:: angle\_style dipole
+.. index:: angle_style dipole
 
-angle\_style dipole command
-===========================
+angle_style dipole command
+==========================
 
-angle\_style dipole/omp command
-===============================
+angle_style dipole/omp command
+==============================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style dipole
 
@@ -18,7 +18,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style dipole
    angle_coeff 6 2.1 180.0
@@ -28,53 +28,63 @@ Description
 
 The *dipole* angle style is used to control the orientation of a dipolar
 atom within a molecule :ref:`(Orsi) <Orsi>`. Specifically, the *dipole* angle
-style restrains the orientation of a point dipole mu\_j (embedded in atom
-'j') with respect to a reference (bond) vector r\_ij = r\_i - r\_j, where 'i'
-is another atom of the same molecule (typically, 'i' and 'j' are also
-covalently bonded).
+style restrains the orientation of a point dipole :math:`\mu_j` (embedded in atom
+:math:`j`) with respect to a reference (bond) vector
+:math:`\vec{r_{ij}} = \vec{r_i} - \vec{r_j}`, where :math:`i` is another atom of
+the same molecule (typically, :math:`i` and :math:`j` are also covalently bonded).
 
-It is convenient to define an angle gamma between the 'free' vector mu\_j
-and the reference (bond) vector r\_ij:
+It is convenient to define an angle gamma between the 'free' vector :math:`\vec{\mu_j}`
+and the reference (bond) vector :math:`\vec{r_{ij}}`:
+
+.. math::
+
+   \cos\gamma = \frac{\vec{\mu_j}\cdot\vec{r_{ij}}}{\mu_j\,r_{ij}}
 
-.. image:: Eqs/angle_dipole_gamma.jpg
-   :align: center
 
 The *dipole* angle style uses the potential:
 
-.. image:: Eqs/angle_dipole_potential.jpg
-   :align: center
+.. math::
 
-where K is a rigidity constant and gamma0 is an equilibrium (reference)
+   E = K (\cos\gamma - \cos\gamma_0)^2
+
+
+where :math:`K` is a rigidity constant and gamma0 is an equilibrium (reference)
 angle.
 
 The torque on the dipole can be obtained by differentiating the
 potential using the 'chain rule' as in appendix C.3 of
 :ref:`(Allen) <Allen1>`:
 
-.. image:: Eqs/angle_dipole_torque.jpg
-   :align: center
+.. math::
 
-Example: if gamma0 is set to 0 degrees, the torque generated by
+   \vec{T_j} = \frac{2K(\cos\gamma - \cos\gamma_0)}{\mu_j\,r_{ij}}\, \vec{r_{ij}} \times \vec{\mu_j}
+
+
+Example: if :math:`\gamma_0` is set to 0 degrees, the torque generated by
 the potential will tend to align the dipole along the reference
-direction defined by the (bond) vector r\_ij (in other words, mu\_j is
-restrained to point towards atom 'i').
+direction defined by the (bond) vector :math:`\vec{r_{ij}}` (in other words, :math:`\vec{\mu_j}` is
+restrained to point towards atom :math:`i`).
 
-The dipolar torque T\_j must be counterbalanced in order to conserve
+The dipolar torque :math:`\vec{T_j}` must be counterbalanced in order to conserve
 the local angular momentum. This is achieved via an additional force
-couple generating a torque equivalent to the opposite of T\_j:
+couple generating a torque equivalent to the opposite of :math:`\vec{T_j}`:
 
-.. image:: Eqs/angle_dipole_couple.jpg
-   :align: center
+.. math::
 
-where F\_i and F\_j are applied on atoms i and j, respectively.
+   -\vec{T_j} & = \vec{r_{ij}} \times \vec{F_i} \\
+   \vec{F_j}  & = -\vec{F_i}
+
+
+where :math:`\vec{F_i}` and :math:`\vec{F_j}` are applied on atoms :math:`i`
+and :math:`j`, respectively.
 
 The following coefficients must be defined for each angle type via the
 :doc:`angle\_coeff <angle_coeff>` command as in the example above, or in
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* K (energy)
-* gamma0 (degrees)
+* :math:`K` (energy)
+* :math:`\gamma_0` (degrees)
 
 
 ----------
@@ -108,17 +118,17 @@ page for more info.
 
 .. note::
 
-   In the "Angles" section of the data file, the atom ID 'j'
+   In the "Angles" section of the data file, the atom ID :math:`j`
    defining the direction of the dipole vector to restrain must come
-   before the atom ID of the reference atom 'i'. A third atom ID 'k' must
+   before the atom ID of the reference atom :math:`i`. A third atom ID :math:`k` must
    also be provided to comply with the requirement of a valid angle
-   definition. This atom ID k should be chosen to be that of an atom
-   bonded to atom 'i' to avoid errors with "lost angle atoms" when running
+   definition. This atom ID :math:`k` should be chosen to be that of an atom
+   bonded to atom :math:`i` to avoid errors with "lost angle atoms" when running
    in parallel. Since the LAMMPS code checks for valid angle definitions,
-   cannot use the same atom ID of either 'i' or 'j' (this was allowed
+   cannot use the same atom ID of either :math:`i` or :math:`j` (this was allowed
    and recommended with older LAMMPS versions).
 
-The "newton" command for intramolecular interactions must be "on"
+The :doc:`newton <newton>` command for intramolecular interactions must be "on"
 (which is the default except when using some accelerator packages).
 
 This angle style should not be used with SHAKE.
@@ -147,8 +157,3 @@ lipid membranes, PloS ONE 6(12): e28637, 2011.
 
 **(Allen)** Allen & Tildesley, Computer Simulation of Liquids,
 Clarendon Press, Oxford, 1987.
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/angle_fourier.rst b/doc/src/angle_fourier.rst
index c974081d92..c814b7224e 100644
--- a/doc/src/angle_fourier.rst
+++ b/doc/src/angle_fourier.rst
@@ -1,42 +1,46 @@
-.. index:: angle\_style fourier
+.. index:: angle_style fourier
 
-angle\_style fourier command
-============================
+angle_style fourier command
+===========================
 
-angle\_style fourier/omp command
-================================
+angle_style fourier/omp command
+===============================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style fourier
 
 Examples
 """"""""
 
-angle\_style fourier
-angle\_coeff 75.0 1.0 1.0 1.0
+.. code-block:: LAMMPS
+
+   angle_style fourier
+   angle_coeff 75.0 1.0 1.0 1.0
 
 Description
 """""""""""
 
 The *fourier* angle style uses the potential
 
-.. image:: Eqs/angle_fourier.jpg
-   :align: center
+.. math::
+
+   E = K [C_0 + C_1 \cos ( \theta) + C_2 \cos( 2 \theta) ]
+
 
 The following coefficients must be defined for each angle type via the
 :doc:`angle\_coeff <angle_coeff>` command as in the example above, or in
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* K (energy)
-* C0 (real)
-* C1 (real)
-* C2 (real)
+* :math:`K` (energy)
+* :math:`C_0` (real)
+* :math:`C_1` (real)
+* :math:`C_2` (real)
 
 
 ----------
@@ -78,8 +82,3 @@ Related commands
 :doc:`angle\_coeff <angle_coeff>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/angle_fourier_simple.rst b/doc/src/angle_fourier_simple.rst
index cea83b2fdf..5ad8b386d0 100644
--- a/doc/src/angle_fourier_simple.rst
+++ b/doc/src/angle_fourier_simple.rst
@@ -1,41 +1,45 @@
-.. index:: angle\_style fourier/simple
+.. index:: angle_style fourier/simple
 
-angle\_style fourier/simple command
-===================================
+angle_style fourier/simple command
+==================================
 
-angle\_style fourier/simple/omp command
-=======================================
+angle_style fourier/simple/omp command
+======================================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style fourier/simple
 
 Examples
 """"""""
 
-angle\_style fourier/simple
-angle\_coeff 100.0 -1.0 1.0
+.. code-block:: LAMMPS
+
+   angle_style fourier/simple
+   angle_coeff 100.0 -1.0 1.0
 
 Description
 """""""""""
 
 The *fourier/simple* angle style uses the potential
 
-.. image:: Eqs/angle_fourier_simple.jpg
-   :align: center
+.. math::
+
+   E = K [ 1.0 + c \cos ( n \theta) ]
+
 
 The following coefficients must be defined for each angle type via the
 :doc:`angle\_coeff <angle_coeff>` command as in the example above, or in
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* K (energy)
-* c (real)
-* n (real)
+* :math:`K` (energy)
+* :math:`c` (real)
+* :math:`n` (real)
 
 
 ----------
@@ -77,8 +81,3 @@ Related commands
 :doc:`angle\_coeff <angle_coeff>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/angle_harmonic.rst b/doc/src/angle_harmonic.rst
index 87b71ad9ad..1066621729 100644
--- a/doc/src/angle_harmonic.rst
+++ b/doc/src/angle_harmonic.rst
@@ -1,22 +1,22 @@
-.. index:: angle\_style harmonic
+.. index:: angle_style harmonic
 
-angle\_style harmonic command
-=============================
+angle_style harmonic command
+============================
 
-angle\_style harmonic/intel command
-===================================
+angle_style harmonic/intel command
+==================================
 
-angle\_style harmonic/kk command
+angle_style harmonic/kk command
+===============================
+
+angle_style harmonic/omp command
 ================================
 
-angle\_style harmonic/omp command
-=================================
-
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style harmonic
 
@@ -24,7 +24,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style harmonic
    angle_coeff 1 300.0 107.0
@@ -34,22 +34,24 @@ Description
 
 The *harmonic* angle style uses the potential
 
-.. image:: Eqs/angle_harmonic.jpg
-   :align: center
+.. math::
 
-where theta0 is the equilibrium value of the angle, and K is a
-prefactor.  Note that the usual 1/2 factor is included in K.
+   E = K (\theta - \theta_0)^2
+
+
+where :math:`\theta_0` is the equilibrium value of the angle, and :math:`K` is a
+prefactor.  Note that the usual 1/2 factor is included in :math:`K`.
 
 The following coefficients must be defined for each angle type via the
 :doc:`angle\_coeff <angle_coeff>` command as in the example above, or in
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* K (energy/radian\^2)
-* theta0 (degrees)
+* :math:`K` (energy/radian\^2)
+* :math:`\theta_0` (degrees)
 
-Theta0 is specified in degrees, but LAMMPS converts it to radians
-internally; hence the units of K are in energy/radian\^2.
+:math:`\theta_0` is specified in degrees, but LAMMPS converts it to radians
+internally; hence the units of :math:`K` are in energy/radian\^2.
 
 
 ----------
@@ -91,8 +93,3 @@ Related commands
 :doc:`angle\_coeff <angle_coeff>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/angle_hybrid.rst b/doc/src/angle_hybrid.rst
index e31df56e72..f685beacc8 100644
--- a/doc/src/angle_hybrid.rst
+++ b/doc/src/angle_hybrid.rst
@@ -1,13 +1,13 @@
-.. index:: angle\_style hybrid
+.. index:: angle_style hybrid
 
-angle\_style hybrid command
-===========================
+angle_style hybrid command
+==========================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style hybrid style1 style2 ...
 
@@ -17,11 +17,11 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style hybrid harmonic cosine
    angle_coeff 1 harmonic 80.0 30.0
-   angle_coeff 2\* cosine 50.0
+   angle_coeff 2* cosine 50.0
 
 Description
 """""""""""
@@ -31,19 +31,19 @@ simulation.  An angle style is assigned to each angle type.  For
 example, angles in a polymer flow (of angle type 1) could be computed
 with a *harmonic* potential and angles in the wall boundary (of angle
 type 2) could be computed with a *cosine* potential.  The assignment
-of angle type to style is made via the :doc:`angle\_coeff <angle_coeff>`
+of angle type to style is made via the :doc:`angle_coeff <angle_coeff>`
 command or in the data file.
 
-In the angle\_coeff commands, the name of an angle style must be added
+In the :doc:`angle_coeff <angle_coeff>` commands, the name of an angle style must be added
 after the angle type, with the remaining coefficients being those
 appropriate to that style.  In the example above, the 2 angle\_coeff
 commands set angles of angle type 1 to be computed with a *harmonic*
-potential with coefficients 80.0, 30.0 for K, theta0.  All other angle
-types (2-N) are computed with a *cosine* potential with coefficient
-50.0 for K.
+potential with coefficients 80.0, 30.0 for :math:`K`, :math:`\theta_0`.  All other angle
+types :math:`(2 - N)` are computed with a *cosine* potential with coefficient
+50.0 for :math:`K`.
 
 If angle coefficients are specified in the data file read via the
-:doc:`read\_data <read_data>` command, then the same rule applies.
+:doc:`read_data <read_data>` command, then the same rule applies.
 E.g. "harmonic" or "cosine", must be added after the angle type, for each
 line in the "Angle Coeffs" section, e.g.
 
@@ -77,7 +77,7 @@ input script, since BondBond (or BondAngle) coefficients need not be
 specified at all for angle types that are not *class2*\ .
 
 An angle style of *none* with no additional coefficients can be used
-in place of an angle style, either in a input script angle\_coeff
+in place of an angle style, either in a input script :doc:`angle_coeff <angle_coeff>`
 command or in the data file, if you desire to turn off interactions
 for specific angle types.
 
@@ -95,16 +95,11 @@ for more info.
 
 Unlike other angle styles, the hybrid angle style does not store angle
 coefficient info for individual sub-styles in a :doc:`binary restart files <restart>`.  Thus when restarting a simulation from a restart
-file, you need to re-specify angle\_coeff commands.
+file, you need to re-specify :doc:`angle_coeff <angle_coeff>` commands.
 
 Related commands
 """"""""""""""""
 
-:doc:`angle\_coeff <angle_coeff>`
+:doc:`angle_coeff <angle_coeff>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/angle_mm3.rst b/doc/src/angle_mm3.rst
index 50786363b2..7cf7f9e720 100644
--- a/doc/src/angle_mm3.rst
+++ b/doc/src/angle_mm3.rst
@@ -1,13 +1,13 @@
-.. index:: angle\_style mm3
+.. index:: angle_style mm3
 
-angle\_style mm3 command
-========================
+angle_style mm3 command
+=======================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style mm3
 
@@ -15,7 +15,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style mm3
    angle_coeff 1 100.0 107.0
@@ -26,23 +26,25 @@ Description
 The *mm3* angle style uses the potential that is anharmonic in the angle
 as defined in :ref:`(Allinger) <mm3-allinger1989>`
 
-.. image:: Eqs/angle_mm3.jpg
-   :align: center
+.. math::
 
-where theta0 is the equilibrium value of the angle, and K is a
-prefactor. The anharmonic prefactors have units deg\^(-n), for example
--0.014 deg\^(-1), 5.6(10)\^(-5) deg\^(-2), ...
+   E = K (\theta - \theta_0)^2 \left[ 1 - 0.014(\theta - \theta_0) + 5.6(10)^{-5} (\theta - \theta_0)^2 - 7.0(10)^{-7} (\theta - \theta_0)^3 + 9(10)^{-10} (\theta - \theta_0)^4 \right]
+
+
+where :math:`\theta_0` is the equilibrium value of the angle, and :math:`K` is a
+prefactor. The anharmonic prefactors have units :math:`\deg^{-n}`, for example
+:math:`-0.014 \deg^{-1}`, :math:`5.6 \cdot 10^{-5} \deg^{-2}`, ...
 
 The following coefficients must be defined for each angle type via the
 :doc:`angle\_coeff <angle_coeff>` command as in the example above, or in
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* K (energy/radian\^2)
-* theta0 (degrees)
+* :math:`K` (energy/radian\^2)
+* :math:`\theta_0` (degrees)
 
-Theta0 is specified in degrees, but LAMMPS converts it to radians
-internally; hence the units of K are in energy/radian\^2.
+:math:`\theta_0` is specified in degrees, but LAMMPS converts it to radians
+internally; hence the units of :math:`K` are in energy/radian\^2.
 
 Restrictions
 """"""""""""
@@ -58,12 +60,3 @@ Related commands
 :doc:`angle\_coeff <angle_coeff>`
 
 **Default:** none
-
-
-----------
-
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/angle_none.rst b/doc/src/angle_none.rst
index a558096211..e848391932 100644
--- a/doc/src/angle_none.rst
+++ b/doc/src/angle_none.rst
@@ -1,13 +1,13 @@
-.. index:: angle\_style none
+.. index:: angle_style none
 
-angle\_style none command
-=========================
+angle_style none command
+========================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style none
 
@@ -15,7 +15,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style none
 
@@ -24,23 +24,19 @@ Description
 
 Using an angle style of none means angle forces and energies are not
 computed, even if triplets of angle atoms were listed in the data file
-read by the :doc:`read\_data <read_data>` command.
+read by the :doc:`read_data <read_data>` command.
 
-See the :doc:`angle\_style zero <angle_zero>` command for a way to
+See the :doc:`angle_style zero <angle_zero>` command for a way to
 calculate angle statistics, but compute no angle interactions.
 
 Restrictions
 """"""""""""
- none
+
+none
 
 Related commands
 """"""""""""""""
 
-:doc:`angle\_style zero <angle_zero>`
+:doc:`angle_style zero <angle_zero>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/angle_quartic.rst b/doc/src/angle_quartic.rst
index 88773bbca8..104c0be802 100644
--- a/doc/src/angle_quartic.rst
+++ b/doc/src/angle_quartic.rst
@@ -1,16 +1,16 @@
-.. index:: angle\_style quartic
+.. index:: angle_style quartic
 
-angle\_style quartic command
-============================
+angle_style quartic command
+===========================
 
-angle\_style quartic/omp command
-================================
+angle_style quartic/omp command
+===============================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style quartic
 
@@ -18,7 +18,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style quartic
    angle_coeff 1 129.1948 56.8726 -25.9442 -14.2221
@@ -28,24 +28,26 @@ Description
 
 The *quartic* angle style uses the potential
 
-.. image:: Eqs/angle_quartic.jpg
-   :align: center
+.. math::
 
-where theta0 is the equilibrium value of the angle, and K is a
-prefactor.  Note that the usual 1/2 factor is included in K.
+   E = K_2 (\theta - \theta_0)^2 + K_3 (\theta - \theta_0)^3 + K_4 (\theta - \theta_0)^4
+
+
+where :math:`\theta_0` is the equilibrium value of the angle, and :math:`K` is a
+prefactor.  Note that the usual 1/2 factor is included in :math:`K`.
 
 The following coefficients must be defined for each angle type via the
 :doc:`angle\_coeff <angle_coeff>` command as in the example above, or in
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* theta0 (degrees)
-* K2 (energy/radian\^2)
-* K3 (energy/radian\^3)
-* K4 (energy/radian\^4)
+* :math:`\theta_0` (degrees)
+* :math:`K_2` (energy/radian\^2)
+* :math:`K_3` (energy/radian\^3)
+* :math:`K_4` (energy/radian\^4)
 
-Theta0 is specified in degrees, but LAMMPS converts it to radians
-internally; hence the units of K are in energy/radian\^2.
+:math:`\theta_0` is specified in degrees, but LAMMPS converts it to radians
+internally; hence the units of :math:`K` are in energy/radian\^2.
 
 
 ----------
@@ -87,8 +89,3 @@ Related commands
 :doc:`angle\_coeff <angle_coeff>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/angle_sdk.rst b/doc/src/angle_sdk.rst
index 01342ad8d4..0af22a5372 100644
--- a/doc/src/angle_sdk.rst
+++ b/doc/src/angle_sdk.rst
@@ -1,16 +1,16 @@
-.. index:: angle\_style sdk
+.. index:: angle_style sdk
 
-angle\_style sdk command
-========================
+angle_style sdk command
+=======================
 
-angle\_style sdk/omp command
-============================
+angle_style sdk/omp command
+===========================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style sdk
 
@@ -20,7 +20,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style sdk
    angle_coeff 1 300.0 107.0
@@ -30,25 +30,27 @@ Description
 
 The *sdk* angle style is a combination of the harmonic angle potential,
 
-.. image:: Eqs/angle_harmonic.jpg
-   :align: center
+.. math::
 
-where theta0 is the equilibrium value of the angle and K a prefactor,
+   E = K (\theta - \theta_0)^2 
+
+
+where :math:`\theta_0` is the equilibrium value of the angle and :math:`K` a prefactor,
 with the *repulsive* part of the non-bonded *lj/sdk* pair style
 between the atoms 1 and 3.  This angle potential is intended for
 coarse grained MD simulations with the CMM parameterization using the
 :doc:`pair\_style lj/sdk <pair_sdk>`.  Relative to the pair\_style
 *lj/sdk*\ , however, the energy is shifted by *epsilon*\ , to avoid sudden
-jumps.  Note that the usual 1/2 factor is included in K.
+jumps.  Note that the usual 1/2 factor is included in :math:`K`.
 
 The following coefficients must be defined for each angle type via the
 :doc:`angle\_coeff <angle_coeff>` command as in the example above:
 
-* K (energy/radian\^2)
-* theta0 (degrees)
+* :math:`K` (energy/radian\^2)
+* :math:`\theta_0` (degrees)
 
-Theta0 is specified in degrees, but LAMMPS converts it to radians
-internally; hence the units of K are in energy/radian\^2.
+:math:`\theta_0` is specified in degrees, but LAMMPS converts it to radians
+internally; hence the units of :math:`K` are in energy/radian\^2.
 The also required *lj/sdk* parameters will be extracted automatically
 from the pair\_style.
 
@@ -93,8 +95,3 @@ Related commands
 :doc:`pair\_style lj/sdk/coul/long <pair_sdk>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/angle_style.rst b/doc/src/angle_style.rst
index 6d7c70565b..3e22113d85 100644
--- a/doc/src/angle_style.rst
+++ b/doc/src/angle_style.rst
@@ -1,13 +1,13 @@
-.. index:: angle\_style
+.. index:: angle_style
 
-angle\_style command
-====================
+angle_style command
+===================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style style
 
@@ -17,7 +17,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style harmonic
    angle_style charmm
@@ -29,19 +29,19 @@ Description
 Set the formula(s) LAMMPS uses to compute angle interactions between
 triplets of atoms, which remain in force for the duration of the
 simulation.  The list of angle triplets is read in by a
-:doc:`read\_data <read_data>` or :doc:`read\_restart <read_restart>` command
+:doc:`read_data <read_data>` or :doc:`read_restart <read_restart>` command
 from a data or restart file.
 
 Hybrid models where angles are computed using different angle
 potentials can be setup using the *hybrid* angle style.
 
 The coefficients associated with a angle style can be specified in a
-data or restart file or via the :doc:`angle\_coeff <angle_coeff>` command.
+data or restart file or via the :doc:`angle_coeff <angle_coeff>` command.
 
 All angle potentials store their coefficient data in binary restart
-files which means angle\_style and :doc:`angle\_coeff <angle_coeff>`
+files which means angle_style and :doc:`angle_coeff <angle_coeff>`
 commands do not need to be re-specified in an input script that
-restarts a simulation.  See the :doc:`read\_restart <read_restart>`
+restarts a simulation.  See the :doc:`read_restart <read_restart>`
 command for details on how to do this.  The one exception is that
 angle\_style *hybrid* only stores the list of sub-styles in the restart
 file; angle coefficients need to be re-specified.
@@ -49,7 +49,7 @@ file; angle coefficients need to be re-specified.
 .. note::
 
    When both an angle and pair style is defined, the
-   :doc:`special\_bonds <special_bonds>` command often needs to be used to
+   :doc:`special_bonds <special_bonds>` command often needs to be used to
    turn off (or weight) the pairwise interaction that would otherwise
    exist between 3 bonded atoms.
 
@@ -62,11 +62,11 @@ between the 3 atoms in the angle.
 
 Here is an alphabetic list of angle styles defined in LAMMPS.  Click on
 the style to display the formula it computes and coefficients
-specified by the associated :doc:`angle\_coeff <angle_coeff>` command.
+specified by the associated :doc:`angle_coeff <angle_coeff>` command.
 
 Click on the style to display the formula it computes, any additional
 arguments specified in the angle\_style command, and coefficients
-specified by the associated :doc:`angle\_coeff <angle_coeff>` command.
+specified by the associated :doc:`angle_coeff <angle_coeff>` command.
 
 There are also additional accelerated pair styles included in the
 LAMMPS distribution for faster performance on CPUs, GPUs, and KNLs.
@@ -115,17 +115,12 @@ individual bond potentials tell if it is part of a package.
 Related commands
 """"""""""""""""
 
-:doc:`angle\_coeff <angle_coeff>`
+:doc:`angle_coeff <angle_coeff>`
 
 Default
 """""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/angle_table.rst b/doc/src/angle_table.rst
index 8d50ff7fe1..f63cf167d9 100644
--- a/doc/src/angle_table.rst
+++ b/doc/src/angle_table.rst
@@ -1,16 +1,16 @@
-.. index:: angle\_style table
+.. index:: angle_style table
 
-angle\_style table command
-==========================
+angle_style table command
+=========================
 
-angle\_style table/omp command
-==============================
+angle_style table/omp command
+=============================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style table style N
 
@@ -21,7 +21,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style table linear 1000
    angle_coeff 3 file.table ENTRY1
@@ -31,7 +31,7 @@ Description
 
 Style *table* creates interpolation tables of length *N* from angle
 potential and derivative values listed in a file(s) as a function of
-angle The files are read by the :doc:`angle\_coeff <angle_coeff>`
+angle The files are read by the :doc:`angle_coeff <angle_coeff>`
 command.
 
 The interpolation tables are created by fitting cubic splines to the
@@ -50,7 +50,7 @@ find the appropriate set of coefficients which are used to evaluate a
 cubic polynomial which computes the energy or derivative.
 
 The following coefficients must be defined for each angle type via the
-:doc:`angle\_coeff <angle_coeff>` command as in the example above.
+:doc:`angle_coeff <angle_coeff>` command as in the example above.
 
 * filename
 * keyword
@@ -85,13 +85,13 @@ A section begins with a non-blank line whose 1st character is not a
 between sections.  The first line begins with a keyword which
 identifies the section.  The line can contain additional text, but the
 initial text must match the argument specified in the
-:doc:`angle\_coeff <angle_coeff>` command.  The next line lists (in any
+:doc:`angle_coeff <angle_coeff>` command.  The next line lists (in any
 order) one or more parameters for the table.  Each parameter is a
 keyword followed by one or more numeric values.
 
 The parameter "N" is required and its value is the number of table
 entries that follow.  Note that this may be different than the *N*
-specified in the :doc:`angle\_style table <angle_style>` command.  Let
+specified in the :doc:`angle_style table <angle_style>` command.  Let
 Ntable = *N* in the angle\_style command, and Nfile = "N" in the
 tabulated file.  What LAMMPS does is a preliminary interpolation by
 creating splines using the Nfile tabulated values as nodal points.  It
@@ -176,11 +176,6 @@ for more info.
 Related commands
 """"""""""""""""
 
-:doc:`angle\_coeff <angle_coeff>`
+:doc:`angle_coeff <angle_coeff>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/angle_zero.rst b/doc/src/angle_zero.rst
index e6b485bc95..e5dab4e3a0 100644
--- a/doc/src/angle_zero.rst
+++ b/doc/src/angle_zero.rst
@@ -1,13 +1,13 @@
-.. index:: angle\_style zero
+.. index:: angle_style zero
 
-angle\_style zero command
-=========================
+angle_style zero command
+========================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style zero *nocoeff*
 
@@ -15,12 +15,12 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    angle_style zero
    angle_style zero nocoeff
-   angle_coeff \*
-   angle_coeff \* 120.0
+   angle_coeff *
+   angle_coeff * 120.0
 
 Description
 """""""""""
@@ -32,14 +32,14 @@ other commands.
 As an example, the :doc:`compute angle/local <compute_angle_local>`
 command can be used to compute the theta values for the list of
 triplets of angle atoms listed in the data file read by the
-:doc:`read\_data <read_data>` command.  If no angle style is defined,
+:doc:`read_data <read_data>` command.  If no angle style is defined,
 this command cannot be used.
 
 The optional *nocoeff* flag allows to read data files with AngleCoeff
-section for any angle style. Similarly, any angle\_coeff commands
+section for any angle style. Similarly, any :doc:`angle_coeff <angle_coeff>` commands
 will only be checked for the angle type number and the rest ignored.
 
-Note that the :doc:`angle\_coeff <angle_coeff>` command must be used for
+Note that the :doc:`angle_coeff <angle_coeff>` command must be used for
 all angle types. If specified, there can be only one value, which is
 going to be used to assign an equilibrium angle, e.g. for use with
 :doc:`fix shake <fix_shake>`.
@@ -51,11 +51,6 @@ Restrictions
 Related commands
 """"""""""""""""
 
-:doc:`angle\_style none <angle_none>`
+:doc:`angle_style none <angle_none>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/atom_modify.rst b/doc/src/atom_modify.rst
index ad19f236c1..ac2720d4f2 100644
--- a/doc/src/atom_modify.rst
+++ b/doc/src/atom_modify.rst
@@ -1,13 +1,13 @@
-.. index:: atom\_modify
+.. index:: atom_modify
 
-atom\_modify command
-====================
+atom_modify command
+===================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    atom_modify keyword values ...
 
@@ -29,7 +29,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    atom_modify map yes
    atom_modify map hash sort 10000 2.0
@@ -188,8 +188,3 @@ defined, sorting will be turned off.
 
 
 **(Meloni)** Meloni, Rosati and Colombo, J Chem Phys, 126, 121102 (2007).
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/atom_style.rst b/doc/src/atom_style.rst
index fac90d428b..d2ebc220d6 100644
--- a/doc/src/atom_style.rst
+++ b/doc/src/atom_style.rst
@@ -1,13 +1,13 @@
-.. index:: atom\_style
+.. index:: atom_style
 
-atom\_style command
-===================
+atom_style command
+==================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    atom_style style args
 
@@ -33,7 +33,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    atom_style atomic
    atom_style bond
@@ -371,8 +371,3 @@ atom\_style atomic
 
 **(Grime)** Grime and Voth, to appear in J Chem Theory & Computation
 (2014).
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/bond_class2.rst b/doc/src/bond_class2.rst
index 9a7987fa39..e3098ef6dc 100644
--- a/doc/src/bond_class2.rst
+++ b/doc/src/bond_class2.rst
@@ -1,19 +1,19 @@
-.. index:: bond\_style class2
+.. index:: bond_style class2
 
-bond\_style class2 command
-==========================
+bond_style class2 command
+=========================
 
-bond\_style class2/omp command
-==============================
-
-bond\_style class2/kk command
+bond_style class2/omp command
 =============================
 
+bond_style class2/kk command
+============================
+
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style class2
 
@@ -21,7 +21,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style class2
    bond_coeff 1 1.0 100.0 80.0 80.0
@@ -31,10 +31,12 @@ Description
 
 The *class2* bond style uses the potential
 
-.. image:: Eqs/bond_class2.jpg
-   :align: center
+.. math::
 
-where r0 is the equilibrium bond distance.
+   E = K_2 (r - r_0)^2 + K_3 (r - r_0)^3 + K_4 (r - r_0)^4
+
+
+where :math:`r_0` is the equilibrium bond distance.
 
 See :ref:`(Sun) <bond-Sun>` for a description of the COMPASS class2 force field.
 
@@ -43,10 +45,10 @@ The following coefficients must be defined for each bond type via the
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* R0 (distance)
-* K2 (energy/distance\^2)
-* K3 (energy/distance\^3)
-* K4 (energy/distance\^4)
+* :math:`r_0` (distance)
+* :math:`K_2` (energy/distance\^2)
+* :math:`K_3` (energy/distance\^3)
+* :math:`K_4` (energy/distance\^4)
 
 
 ----------
@@ -98,8 +100,3 @@ Related commands
 
 
 **(Sun)** Sun, J Phys Chem B 102, 7338-7364 (1998).
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/bond_coeff.rst b/doc/src/bond_coeff.rst
index 45b72cce91..281dfc7095 100644
--- a/doc/src/bond_coeff.rst
+++ b/doc/src/bond_coeff.rst
@@ -1,13 +1,13 @@
-.. index:: bond\_coeff
+.. index:: bond_coeff
 
-bond\_coeff command
-===================
+bond_coeff command
+==================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_coeff N args
 
@@ -18,11 +18,11 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_coeff 5 80.0 1.2
-   bond_coeff \* 30.0 1.5 1.0 1.0
-   bond_coeff 1\*4 30.0 1.5 1.0 1.0
+   bond_coeff * 30.0 1.5 1.0 1.0
+   bond_coeff 1*4 30.0 1.5 1.0 1.0
    bond_coeff 1 harmonic 200.0 1.0
 
 Description
@@ -47,9 +47,9 @@ for the same bond type.  For example, these commands set the coeffs
 for all bond types, then overwrite the coeffs for just bond type 2:
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
-   bond_coeff \* 100.0 1.2
+   bond_coeff * 100.0 1.2
    bond_coeff 2 200.0 1.2
 
 A line in a data file that specifies bond coefficients uses the exact
@@ -97,8 +97,3 @@ Related commands
 :doc:`bond\_style <bond_style>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/bond_fene.rst b/doc/src/bond_fene.rst
index cd25419544..d952321c20 100644
--- a/doc/src/bond_fene.rst
+++ b/doc/src/bond_fene.rst
@@ -1,22 +1,22 @@
-.. index:: bond\_style fene
+.. index:: bond_style fene
 
-bond\_style fene command
-========================
+bond_style fene command
+=======================
 
-bond\_style fene/intel command
-==============================
+bond_style fene/intel command
+=============================
 
-bond\_style fene/kk command
+bond_style fene/kk command
+==========================
+
+bond_style fene/omp command
 ===========================
 
-bond\_style fene/omp command
-============================
-
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style fene
 
@@ -24,7 +24,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style fene
    bond_coeff 1 30.0 1.5 1.0 1.0
@@ -34,24 +34,26 @@ Description
 
 The *fene* bond style uses the potential
 
-.. image:: Eqs/bond_fene.jpg
-   :align: center
+.. math::
+
+   E = -0.5 K R_0^2  \ln \left[ 1 - \left(\frac{r}{R_0}\right)^2\right] + 4 \epsilon \left[ \left(\frac{\sigma}{r}\right)^{12} - \left(\frac{\sigma}{r}\right)^6 \right] + \epsilon
+
 
 to define a finite extensible nonlinear elastic (FENE) potential
 :ref:`(Kremer) <fene-Kremer>`, used for bead-spring polymer models.  The first
 term is attractive, the 2nd Lennard-Jones term is repulsive.  The
-first term extends to R0, the maximum extent of the bond.  The 2nd
-term is cutoff at 2\^(1/6) sigma, the minimum of the LJ potential.
+first term extends to :math:`R_0`, the maximum extent of the bond.  The 2nd
+term is cutoff at :math:`2^\frac{1}{6} \sigma`, the minimum of the LJ potential.
 
 The following coefficients must be defined for each bond type via the
 :doc:`bond\_coeff <bond_coeff>` command as in the example above, or in
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* K (energy/distance\^2)
-* R0 (distance)
-* epsilon (energy)
-* sigma (distance)
+* :math:`K` (energy/distance\^2)
+* :math:`R_0` (distance)
+* :math:`\epsilon` (energy)
+* :math:`\sigma` (distance)
 
 
 ----------
@@ -107,8 +109,3 @@ Related commands
 
 
 **(Kremer)** Kremer, Grest, J Chem Phys, 92, 5057 (1990).
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/bond_fene_expand.rst b/doc/src/bond_fene_expand.rst
index ed19f6fc76..5b5b858330 100644
--- a/doc/src/bond_fene_expand.rst
+++ b/doc/src/bond_fene_expand.rst
@@ -1,16 +1,16 @@
-.. index:: bond\_style fene/expand
+.. index:: bond_style fene/expand
 
-bond\_style fene/expand command
-===============================
+bond_style fene/expand command
+==============================
 
-bond\_style fene/expand/omp command
-===================================
+bond_style fene/expand/omp command
+==================================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style fene/expand
 
@@ -18,7 +18,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style fene/expand
    bond_coeff 1 30.0 1.5 1.0 1.0 0.5
@@ -28,29 +28,30 @@ Description
 
 The *fene/expand* bond style uses the potential
 
-.. image:: Eqs/bond_fene_expand.jpg
-   :align: center
+.. math::
+
+   E = -0.5 K R_0^2 \ln \left[1 -\left( \frac{\left(r - \Delta\right)}{R_0}\right)^2 \right] + 4 \epsilon \left[ \left(\frac{\sigma}{\left(r - \Delta\right)}\right)^{12} - \left(\frac{\sigma}{\left(r - \Delta\right)}\right)^6 \right] + \epsilon
+
 
 to define a finite extensible nonlinear elastic (FENE) potential
 :ref:`(Kremer) <feneexpand-Kremer>`, used for bead-spring polymer models.  The first
 term is attractive, the 2nd Lennard-Jones term is repulsive.
 
 The *fene/expand* bond style is similar to *fene* except that an extra
-shift factor of delta (positive or negative) is added to *r* to
+shift factor of :math:`\Delta` (positive or negative) is added to :math:`r` to
 effectively change the bead size of the bonded atoms.  The first term
-now extends to R0 + delta and the 2nd term is cutoff at 2\^(1/6) sigma
-+ delta.
+now extends to :math:`R_0 + \Delta` and the 2nd term is cutoff at :math:`2^\frac{1}{6} \sigma + \Delta`.
 
 The following coefficients must be defined for each bond type via the
 :doc:`bond\_coeff <bond_coeff>` command as in the example above, or in
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* K (energy/distance\^2)
-* R0 (distance)
-* epsilon (energy)
-* sigma (distance)
-* delta (distance)
+* :math:`K` (energy/distance\^2)
+* :math:`R_0` (distance)
+* :math:`\epsilon` (energy)
+* :math:`\sigma` (distance)
+* :math:`\Delta` (distance)
 
 
 ----------
@@ -106,8 +107,3 @@ Related commands
 
 
 **(Kremer)** Kremer, Grest, J Chem Phys, 92, 5057 (1990).
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/bond_gromos.rst b/doc/src/bond_gromos.rst
index 894fe7b87b..5d0a4ab1c6 100644
--- a/doc/src/bond_gromos.rst
+++ b/doc/src/bond_gromos.rst
@@ -1,16 +1,16 @@
-.. index:: bond\_style gromos
+.. index:: bond_style gromos
 
-bond\_style gromos command
-==========================
+bond_style gromos command
+=========================
 
-bond\_style gromos/omp command
-==============================
+bond_style gromos/omp command
+=============================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style gromos
 
@@ -18,7 +18,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style gromos
    bond_coeff 5 80.0 1.2
@@ -28,19 +28,21 @@ Description
 
 The *gromos* bond style uses the potential
 
-.. image:: Eqs/bond_gromos.jpg
-   :align: center
+.. math::
 
-where r0 is the equilibrium bond distance.  Note that the usual 1/4
-factor is included in K.
+   E = K (r^2 - r_0^2)^2
+
+
+where :math:`r_0` is the equilibrium bond distance.  Note that the usual 1/4
+factor is included in :math:`K`.
 
 The following coefficients must be defined for each bond type via the
 :doc:`bond\_coeff <bond_coeff>` command as in the example above, or in
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* K (energy/distance\^4)
-* r0 (distance)
+* :math:`K` (energy/distance\^4)
+* :math:`r_0` (distance)
 
 
 ----------
@@ -82,8 +84,3 @@ Related commands
 :doc:`bond\_coeff <bond_coeff>`, :doc:`delete\_bonds <delete_bonds>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/bond_harmonic.rst b/doc/src/bond_harmonic.rst
index 4718656b91..d65f0337f0 100644
--- a/doc/src/bond_harmonic.rst
+++ b/doc/src/bond_harmonic.rst
@@ -1,22 +1,22 @@
-.. index:: bond\_style harmonic
+.. index:: bond_style harmonic
 
-bond\_style harmonic command
-============================
+bond_style harmonic command
+===========================
 
-bond\_style harmonic/intel command
-==================================
+bond_style harmonic/intel command
+=================================
 
-bond\_style harmonic/kk command
+bond_style harmonic/kk command
+==============================
+
+bond_style harmonic/omp command
 ===============================
 
-bond\_style harmonic/omp command
-================================
-
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style harmonic
 
@@ -24,7 +24,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style harmonic
    bond_coeff 5 80.0 1.2
@@ -34,19 +34,21 @@ Description
 
 The *harmonic* bond style uses the potential
 
-.. image:: Eqs/bond_harmonic.jpg
-   :align: center
+.. math::
 
-where r0 is the equilibrium bond distance.  Note that the usual 1/2
-factor is included in K.
+   E = K (r - r_0)^2
+
+
+where :math:`r_0` is the equilibrium bond distance.  Note that the usual 1/2
+factor is included in :math:`K`.
 
 The following coefficients must be defined for each bond type via the
 :doc:`bond\_coeff <bond_coeff>` command as in the example above, or in
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* K (energy/distance\^2)
-* r0 (distance)
+* :math:`K` (energy/distance\^2)
+* :math:`r_0` (distance)
 
 
 ----------
@@ -88,8 +90,3 @@ Related commands
 :doc:`bond\_coeff <bond_coeff>`, :doc:`delete\_bonds <delete_bonds>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/bond_harmonic_shift.rst b/doc/src/bond_harmonic_shift.rst
index c3c3d7eac1..cc39bda7a7 100644
--- a/doc/src/bond_harmonic_shift.rst
+++ b/doc/src/bond_harmonic_shift.rst
@@ -1,16 +1,16 @@
-.. index:: bond\_style harmonic/shift
+.. index:: bond_style harmonic/shift
 
-bond\_style harmonic/shift command
-==================================
+bond_style harmonic/shift command
+=================================
 
-bond\_style harmonic/shift/omp command
-======================================
+bond_style harmonic/shift/omp command
+=====================================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style harmonic/shift
 
@@ -18,7 +18,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style harmonic/shift
    bond_coeff 5 10.0 0.5 1.0
@@ -29,23 +29,25 @@ Description
 The *harmonic/shift* bond style is a shifted harmonic bond that uses
 the potential
 
-.. image:: Eqs/bond_harmonic_shift.jpg
-   :align: center
+.. math::
 
-where r0 is the equilibrium bond distance, and rc the critical distance.
-The potential is -Umin at r0 and zero at rc. The spring constant is
-k = Umin / [ 2 (r0-rc)\^2].
+   E = \frac{U_{\text{min}}}{(r_0-r_c)^2} \left[ (r-r_0)^2-(r_c-r_0)^2 \right]
+
+
+where :math:`r_0` is the equilibrium bond distance, and :math:`r_c` the critical distance.
+The potential is :math:`-U_{\text{min}}` at :math:`r0` and zero at :math:`r_c`. The spring constant is
+:math:`k = U_{\text{min}} / [ 2 (r_0-r_c)^2]`.
 
 The following coefficients must be defined for each bond type via the
 :doc:`bond\_coeff <bond_coeff>` command as in the example above, or in
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* Umin (energy)
+* :math:`U_{\text{min}}` (energy)
 
-* r0 (distance)
+* :math:`r_0` (distance)
 
-* rc (distance)
+* :math:`r_c` (distance)
 
 
 ----------
@@ -88,8 +90,3 @@ Related commands
 :doc:`bond\_harmonic <bond_harmonic>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/bond_harmonic_shift_cut.rst b/doc/src/bond_harmonic_shift_cut.rst
index f51e061571..459acfdbfb 100644
--- a/doc/src/bond_harmonic_shift_cut.rst
+++ b/doc/src/bond_harmonic_shift_cut.rst
@@ -1,16 +1,16 @@
-.. index:: bond\_style harmonic/shift/cut
+.. index:: bond_style harmonic/shift/cut
 
-bond\_style harmonic/shift/cut command
-======================================
+bond_style harmonic/shift/cut command
+=====================================
 
-bond\_style harmonic/shift/cut/omp command
-==========================================
+bond_style harmonic/shift/cut/omp command
+=========================================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style harmonic/shift/cut
 
@@ -18,7 +18,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style harmonic/shift/cut
    bond_coeff 5 10.0 0.5 1.0
@@ -29,21 +29,23 @@ Description
 The *harmonic/shift/cut* bond style is a shifted harmonic bond that
 uses the potential
 
-.. image:: Eqs/bond_harmonic_shift_cut.jpg
-   :align: center
+.. math::
 
-where r0 is the equilibrium bond distance, and rc the critical distance.
-The bond potential is zero for distances r > rc. The potential is -Umin
-at r0 and zero at rc. The spring constant is k = Umin / [ 2 (r0-rc)\^2].
+   E = \frac{U_{\text{min}}}{(r_0-r_c)^2} \left[ (r-r_0)^2-(r_c-r_0)^2 \right]
+
+
+where :math:`r_0` is the equilibrium bond distance, and rc the critical distance.
+The bond potential is zero for distances :math:`r > r_c`. The potential is :math:`-U_{\text{min}}`
+at :math:`r_0` and zero at :math:`r_c`. The spring constant is :math:`k = U_{\text{min}} / [ 2 (r_0-r_c)^2]`.
 
 The following coefficients must be defined for each bond type via the
 :doc:`bond\_coeff <bond_coeff>` command as in the example above, or in
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* Umin (energy)
-* r0 (distance)
-* rc (distance)
+* :math:`U_{\text{min}}` (energy)
+* :math:`r_0` (distance)
+* :math:`r_c` (distance)
 
 
 ----------
@@ -87,8 +89,3 @@ Related commands
 :doc:`bond\_harmonic\_shift <bond_harmonic_shift>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/bond_hybrid.rst b/doc/src/bond_hybrid.rst
index 34297c2ff9..6b8175858f 100644
--- a/doc/src/bond_hybrid.rst
+++ b/doc/src/bond_hybrid.rst
@@ -1,13 +1,13 @@
-.. index:: bond\_style hybrid
+.. index:: bond_style hybrid
 
-bond\_style hybrid command
-==========================
+bond_style hybrid command
+=========================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style hybrid style1 style2 ...
 
@@ -17,11 +17,11 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block: LAMMPS
 
    bond_style hybrid harmonic fene
    bond_coeff 1 harmonic 80.0 1.2
-   bond_coeff 2\* fene 30.0 1.5 1.0 1.0
+   bond_coeff 2* fene 30.0 1.5 1.0 1.0
 
 Description
 """""""""""
@@ -31,19 +31,19 @@ simulation.  A bond style is assigned to each bond type.  For example,
 bonds in a polymer flow (of bond type 1) could be computed with a
 *fene* potential and bonds in the wall boundary (of bond type 2) could
 be computed with a *harmonic* potential.  The assignment of bond type
-to style is made via the :doc:`bond\_coeff <bond_coeff>` command or in
+to style is made via the :doc:`bond_coeff <bond_coeff>` command or in
 the data file.
 
 In the bond\_coeff commands, the name of a bond style must be added
 after the bond type, with the remaining coefficients being those
 appropriate to that style.  In the example above, the 2 bond\_coeff
 commands set bonds of bond type 1 to be computed with a *harmonic*
-potential with coefficients 80.0, 1.2 for K, r0.  All other bond types
+potential with coefficients 80.0, 1.2 for :math:`K`, :math:`r_0`.  All other bond types
 (2-N) are computed with a *fene* potential with coefficients 30.0,
-1.5, 1.0, 1.0 for K, R0, epsilon, sigma.
+1.5, 1.0, 1.0 for :math:`K`, :math:`R_0`, :math:`\epsilon`, :math:`\sigma`.
 
 If bond coefficients are specified in the data file read via the
-:doc:`read\_data <read_data>` command, then the same rule applies.
+:doc:`read_data <read_data>` command, then the same rule applies.
 E.g. "harmonic" or "fene" must be added after the bond type, for each
 line in the "Bond Coeffs" section, e.g.
 
@@ -80,11 +80,6 @@ file, you need to re-specify bond\_coeff commands.
 Related commands
 """"""""""""""""
 
-:doc:`bond\_coeff <bond_coeff>`, :doc:`delete\_bonds <delete_bonds>`
+:doc:`bond_coeff <bond_coeff>`, :doc:`delete_bonds <delete_bonds>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/bond_mm3.rst b/doc/src/bond_mm3.rst
index 4096a34d48..5794592ce4 100644
--- a/doc/src/bond_mm3.rst
+++ b/doc/src/bond_mm3.rst
@@ -1,13 +1,13 @@
-.. index:: bond\_style mm3
+.. index:: bond_style mm3
 
-bond\_style mm3 command
-=======================
+bond_style mm3 command
+======================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style mm3
 
@@ -15,7 +15,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style mm3
    bond_coeff 1 100.0 107.0
@@ -26,10 +26,12 @@ Description
 The *mm3* bond style uses the potential that is anharmonic in the bond
 as defined in :ref:`(Allinger) <mm3-allinger1989>`
 
-.. image:: Eqs/bond_mm3.jpg
-   :align: center
+.. math::
 
-where r0 is the equilibrium value of the bond, and K is a
+   E = K (r - r_0)^2 \left[ 1 - 2.55(r-r_0) + (7/12) 2.55^2(r-r_0)^2 \right]
+
+
+where :math:`r_0` is the equilibrium value of the bond, and :math:`K` is a
 prefactor. The anharmonic prefactors have units angstrom\^(-n):
 -2.55 angstrom\^(-1) and (7/12)2.55\^2 angstrom\^(-2). The code takes
 care of the necessary unit conversion for these factors internally.
@@ -41,8 +43,8 @@ The following coefficients must be defined for each bond type via the
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* K (energy/distance\^2)
-* r0 (distance)
+* :math:`K` (energy/distance\^2)
+* :math:`r_0` (distance)
 
 Restrictions
 """"""""""""
@@ -69,8 +71,3 @@ Related commands
 
 **(Allinger)** Allinger, Yuh, Lii, JACS, 111(23), 8551-8566
 (1989),
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/bond_morse.rst b/doc/src/bond_morse.rst
index 592bc527c3..26471424c5 100644
--- a/doc/src/bond_morse.rst
+++ b/doc/src/bond_morse.rst
@@ -1,16 +1,16 @@
-.. index:: bond\_style morse
+.. index:: bond_style morse
 
-bond\_style morse command
-=========================
+bond_style morse command
+========================
 
-bond\_style morse/omp command
-=============================
+bond_style morse/omp command
+============================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style morse
 
@@ -18,7 +18,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style morse
    bond_coeff 5 1.0 2.0 1.2
@@ -28,20 +28,22 @@ Description
 
 The *morse* bond style uses the potential
 
-.. image:: Eqs/bond_morse.jpg
-   :align: center
+.. math::
 
-where r0 is the equilibrium bond distance, alpha is a stiffness
-parameter, and D determines the depth of the potential well.
+   E = D \left[ 1 - e^{-\alpha (r - r_0)} \right]^2
+
+
+where :math:`r_0` is the equilibrium bond distance, :math:`\alpha` is a stiffness
+parameter, and :math:`D` determines the depth of the potential well.
 
 The following coefficients must be defined for each bond type via the
 :doc:`bond\_coeff <bond_coeff>` command as in the example above, or in
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* D (energy)
-* alpha (inverse distance)
-* r0 (distance)
+* :math:`D` (energy)
+* :math:`\alpha` (inverse distance)
+* :math:`r_0` (distance)
 
 
 ----------
@@ -83,8 +85,3 @@ Related commands
 :doc:`bond\_coeff <bond_coeff>`, :doc:`delete\_bonds <delete_bonds>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/bond_none.rst b/doc/src/bond_none.rst
index dde5b6d29a..ac838581be 100644
--- a/doc/src/bond_none.rst
+++ b/doc/src/bond_none.rst
@@ -1,13 +1,13 @@
-.. index:: bond\_style none
+.. index:: bond_style none
 
-bond\_style none command
-========================
+bond_style none command
+=======================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style none
 
@@ -15,7 +15,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-blocK:: LAMMPS
 
    bond_style none
 
@@ -24,9 +24,9 @@ Description
 
 Using a bond style of none means bond forces and energies are not
 computed, even if pairs of bonded atoms were listed in the data file
-read by the :doc:`read\_data <read_data>` command.
+read by the :doc:`read_data <read_data>` command.
 
-See the :doc:`bond\_style zero <bond_zero>` command for a way to
+See the :doc:`bond_style zero <bond_zero>` command for a way to
 calculate bond statistics, but compute no bond interactions.
 
 Restrictions
@@ -35,11 +35,6 @@ Restrictions
 
 **Related commands:** none
 
-:doc:`bond\_style zero <bond_zero>`
+:doc:`bond_style zero <bond_zero>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/bond_nonlinear.rst b/doc/src/bond_nonlinear.rst
index 4b07a9ba15..0003257e0b 100644
--- a/doc/src/bond_nonlinear.rst
+++ b/doc/src/bond_nonlinear.rst
@@ -1,16 +1,16 @@
-.. index:: bond\_style nonlinear
+.. index:: bond_style nonlinear
 
-bond\_style nonlinear command
-=============================
+bond_style nonlinear command
+============================
 
-bond\_style nonlinear/omp command
-=================================
+bond_style nonlinear/omp command
+================================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style nonlinear
 
@@ -18,7 +18,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style nonlinear
    bond_coeff 2 100.0 1.1 1.4
@@ -28,20 +28,22 @@ Description
 
 The *nonlinear* bond style uses the potential
 
-.. image:: Eqs/bond_nonlinear.jpg
-   :align: center
+.. math::
+
+   E = \frac{\epsilon (r - r_0)^2}{ [ \lambda^2 - (r - r_0)^2 ]}
+
 
 to define an anharmonic spring :ref:`(Rector) <Rector>` of equilibrium
-length r0 and maximum extension lamda.
+length :math:`r_0` and maximum extension lamda.
 
 The following coefficients must be defined for each bond type via the
 :doc:`bond\_coeff <bond_coeff>` command as in the example above, or in
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* epsilon (energy)
-* r0 (distance)
-* lamda (distance)
+* :math:`\epsilon` (energy)
+* :math:`r_0` (distance)
+* :math:`\lambda` (distance)
 
 
 ----------
@@ -93,8 +95,3 @@ Related commands
 
 
 **(Rector)** Rector, Van Swol, Henderson, Molecular Physics, 82, 1009 (1994).
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/bond_oxdna.rst b/doc/src/bond_oxdna.rst
index 51692f933b..217b3c85f4 100644
--- a/doc/src/bond_oxdna.rst
+++ b/doc/src/bond_oxdna.rst
@@ -1,16 +1,16 @@
-.. index:: bond\_style oxdna/fene
+.. index:: bond_style oxdna/fene
 
-bond\_style oxdna/fene command
+bond_style oxdna/fene command
+=============================
+
+bond_style oxdna2/fene command
 ==============================
 
-bond\_style oxdna2/fene command
-===============================
-
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style oxdna/fene
 
@@ -20,21 +20,23 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style oxdna/fene
-   bond_coeff \* 2.0 0.25 0.7525
+   bond_coeff * 2.0 0.25 0.7525
 
    bond_style oxdna2/fene
-   bond_coeff \* 2.0 0.25 0.7564
+   bond_coeff * 2.0 0.25 0.7564
 
 Description
 """""""""""
 
 The *oxdna/fene* and *oxdna2/fene* bond styles use the potential
 
-.. image:: Eqs/bond_oxdna_fene.jpg
-   :align: center
+.. math::
+
+   E = - \frac{\epsilon}{2} \ln \left[ 1 - \left(\frac{r-r_0}{\Delta}\right)^2\right]
+
 
 to define a modified finite extensible nonlinear elastic (FENE)
 potential :ref:`(Ouldridge) <oxdna_fene>` to model the connectivity of the
@@ -47,9 +49,9 @@ in the data file or restart files read by the
 :doc:`read\_data <read_data>` or :doc:`read\_restart <read_restart>`
 commands:
 
-* epsilon (energy)
-* Delta (distance)
-* r0 (distance)
+* :math:`\epsilon` (energy)
+* :math:`\Delta` (distance)
+* :math:`r_0` (distance)
 
 .. note::
 
@@ -121,8 +123,3 @@ J. Chem. Phys. 134, 085101 (2011).
 
 **(Snodin)** B.E. Snodin, F. Randisi, M. Mosayebi, et al.,
 J. Chem. Phys. 142, 234901 (2015).
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/bond_quartic.rst b/doc/src/bond_quartic.rst
index 7aff1308b2..898aa9315a 100644
--- a/doc/src/bond_quartic.rst
+++ b/doc/src/bond_quartic.rst
@@ -1,16 +1,16 @@
-.. index:: bond\_style quartic
+.. index:: bond_style quartic
 
-bond\_style quartic command
-===========================
+bond_style quartic command
+==========================
 
-bond\_style quartic/omp command
-===============================
+bond_style quartic/omp command
+==============================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style quartic
 
@@ -18,7 +18,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style quartic
    bond_coeff 2 1200 -0.55 0.25 1.3 34.6878
@@ -28,11 +28,12 @@ Description
 
 The *quartic* bond style uses the potential
 
-.. image:: Eqs/bond_quartic.jpg
-   :align: center
+.. math::
+
+   E = K (r - R_c)^ 2 (r - R_c - B_1) (r - R_c - B_2) + U_0 + 4 \epsilon \left[ \left(\frac{\sigma}{r}\right)^{12} - \left(\frac{\sigma}{r}\right)^6 \right] + \epsilon
 
 to define a bond that can be broken as the simulation proceeds (e.g.
-due to a polymer being stretched).  The sigma and epsilon used in the
+due to a polymer being stretched).  The :math:`\sigma` and :math:`\epsilon` used in the
 LJ portion of the formula are both set equal to 1.0 by LAMMPS.
 
 The following coefficients must be defined for each bond type via the
@@ -40,23 +41,31 @@ The following coefficients must be defined for each bond type via the
 the data file or restart files read by the :doc:`read\_data <read_data>`
 or :doc:`read\_restart <read_restart>` commands:
 
-* K (energy/distance\^4)
-* B1 (distance)
-* B2 (distance)
-* Rc (distance)
-* U0 (energy)
+* :math:`K` (energy/distance\^4)
+* :math:`B_1` (distance)
+* :math:`B_2` (distance)
+* :math:`R_c` (distance)
+* :math:`U_0` (energy)
 
 This potential was constructed to mimic the FENE bond potential for
-coarse-grained polymer chains.  When monomers with sigma = epsilon =
-1.0 are used, the following choice of parameters gives a quartic
-potential that looks nearly like the FENE potential: K = 1200, B1 =
--0.55, B2 = 0.25, Rc = 1.3, and U0 = 34.6878.  Different parameters
-can be specified using the :doc:`bond\_coeff <bond_coeff>` command, but
-you will need to choose them carefully so they form a suitable bond
-potential.
+coarse-grained polymer chains.  When monomers with :math:`\sigma = \epsilon = 1.0`
+are used, the following choice of parameters gives a quartic potential that
+looks nearly like the FENE potential: 
 
-Rc is the cutoff length at which the bond potential goes smoothly to a
-local maximum.  If a bond length ever becomes > Rc, LAMMPS "breaks"
+.. math::
+
+   K &= 1200 \\
+   B_1 &= -0.55 \\
+   B_2 &= 0.25 \\
+   R_c &= 1.3 \\
+   U_0 &= 34.6878
+   
+Different parameters can be specified using the :doc:`bond_coeff <bond_coeff>`
+command, but you will need to choose them carefully so they form a suitable
+bond potential.
+
+:math:`R_c` is the cutoff length at which the bond potential goes smoothly to a
+local maximum.  If a bond length ever becomes :math:`> R_c`, LAMMPS "breaks"
 the bond, which means two things.  First, the bond potential is turned
 off by setting its type to 0, and is no longer computed.  Second, a
 pairwise interaction between the two atoms is turned on, since they
@@ -75,7 +84,7 @@ Note that when bonds are dumped to a file via the :doc:`dump local <dump>` comma
 status of broken bonds or permanently delete them, e.g.:
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    delete_bonds all stats
    delete_bonds all bond 0 remove
@@ -124,8 +133,3 @@ Related commands
 :doc:`bond\_coeff <bond_coeff>`, :doc:`delete\_bonds <delete_bonds>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/bond_style.rst b/doc/src/bond_style.rst
index f912411972..3c5c97b96b 100644
--- a/doc/src/bond_style.rst
+++ b/doc/src/bond_style.rst
@@ -1,29 +1,27 @@
-.. index:: bond\_style
+.. index:: bond_style
 
-bond\_style command
-===================
+bond_style command
+==================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style style args
 
 * style = *none* or *hybrid* or *class2* or *fene* or *fene/expand* or         *harmonic* or *morse* or *nonlinear* or *quartic*
 
+* args = none for any style except *hybrid*
 
-.. parsed-literal::
-
-     args = none for any style except *hybrid*
-     *hybrid* args = list of one or more styles
+  * *hybrid* args = list of one or more styles
 
 Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style harmonic
    bond_style fene
@@ -74,11 +72,11 @@ between the 2 atoms in the bond.
 
 Here is an alphabetic list of bond styles defined in LAMMPS.  Click on
 the style to display the formula it computes and coefficients
-specified by the associated :doc:`bond\_coeff <bond_coeff>` command.
+specified by the associated :doc:`bond_coeff <bond_coeff>` command.
 
 Click on the style to display the formula it computes, any additional
 arguments specified in the bond\_style command, and coefficients
-specified by the associated :doc:`bond\_coeff <bond_coeff>` command.
+specified by the associated :doc:`bond_coeff <bond_coeff>` command.
 
 There are also additional accelerated pair styles included in the
 LAMMPS distribution for faster performance on CPUs, GPUs, and KNLs.
@@ -128,9 +126,6 @@ Related commands
 Default
 """""""
 
-bond\_style none
+.. code-block:: LAMMPS
 
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
+   bond_style none
diff --git a/doc/src/bond_table.rst b/doc/src/bond_table.rst
index f68288349d..5378df3cff 100644
--- a/doc/src/bond_table.rst
+++ b/doc/src/bond_table.rst
@@ -1,16 +1,16 @@
-.. index:: bond\_style table
+.. index:: bond_style table
 
-bond\_style table command
-=========================
+bond_style table command
+========================
 
-bond\_style table/omp command
-=============================
+bond_style table/omp command
+============================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style table style N
 
@@ -21,7 +21,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style table linear 1000
    bond_coeff 1 file.table ENTRY1
@@ -31,14 +31,14 @@ Description
 
 Style *table* creates interpolation tables of length *N* from bond
 potential and force values listed in a file(s) as a function of bond
-length.  The files are read by the :doc:`bond\_coeff <bond_coeff>`
+length.  The files are read by the :doc:`bond_coeff <bond_coeff>`
 command.
 
 The interpolation tables are created by fitting cubic splines to the
 file values and interpolating energy and force values at each of *N*
 distances.  During a simulation, these tables are used to interpolate
 energy and force values as needed.  The interpolation is done in one
-of 2 styles: *linear* or *spline*\ .
+of 2 styles: *linear* or *spline*.
 
 For the *linear* style, the bond length is used to find 2 surrounding
 table values from which an energy or force is computed by linear
@@ -50,7 +50,7 @@ used to find the appropriate set of coefficients which are used to
 evaluate a cubic polynomial which computes the energy or force.
 
 The following coefficients must be defined for each bond type via the
-:doc:`bond\_coeff <bond_coeff>` command as in the example above.
+:doc:`bond_coeff <bond_coeff>` command as in the example above.
 
 * filename
 * keyword
@@ -84,14 +84,14 @@ A section begins with a non-blank line whose 1st character is not a
 between sections.  The first line begins with a keyword which
 identifies the section.  The line can contain additional text, but the
 initial text must match the argument specified in the
-:doc:`bond\_coeff <bond_coeff>` command.  The next line lists (in any
+:doc:`bond_coeff <bond_coeff>` command.  The next line lists (in any
 order) one or more parameters for the table.  Each parameter is a
 keyword followed by one or more numeric values.
 
 The parameter "N" is required and its value is the number of table
 entries that follow.  Note that this may be different than the *N*
 specified in the :doc:`bond\_style table <bond_style>` command.  Let
-Ntable = *N* in the bond\_style command, and Nfile = "N" in the
+Ntable = *N* in the bond_style command, and Nfile = "N" in the
 tabulated file.  What LAMMPS does is a preliminary interpolation by
 creating splines using the Nfile tabulated values as nodal points.  It
 uses these to interpolate as needed to generate energy and force
@@ -119,8 +119,9 @@ the bond length r (in distance units), the 3rd value is the energy (in
 energy units), and the 4th is the force (in force units).  The bond
 lengths must range from a LO value to a HI value, and increase from
 one line to the next.  If the actual bond length is ever smaller than
-the LO value or larger than the HI value, then the bond energy and
-force is evaluated as if the bond were the LO or HI length.
+the LO value or larger than the HI value, then the calculation is
+aborted with an error, so it is advisable to cover the whole range
+of possible bond lengths.
 
 Note that one file can contain many sections, each with a tabulated
 potential.  LAMMPS reads the file section by section until it finds
@@ -173,11 +174,6 @@ info.
 Related commands
 """"""""""""""""
 
-:doc:`bond\_coeff <bond_coeff>`, :doc:`delete\_bonds <delete_bonds>`
+:doc:`bond_coeff <bond_coeff>`, :doc:`delete_bonds <delete_bonds>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/bond_write.rst b/doc/src/bond_write.rst
index 23a6a04815..f7055d42aa 100644
--- a/doc/src/bond_write.rst
+++ b/doc/src/bond_write.rst
@@ -1,13 +1,13 @@
-.. index:: bond\_write
+.. index:: bond_write
 
-bond\_write command
-===================
+bond_write command
+==================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_write btype N inner outer file keyword itype jtype
 
@@ -17,13 +17,12 @@ Syntax
 * file = name of file to write values to
 * keyword = section name in file for this set of tabulated values
 * itype,jtype = 2 atom types (optional)
-*
 
 Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_write 1 500 0.5 3.5 table.txt Harmonic_1
    bond_write 3 1000 0.1 6.0 table.txt Morse
@@ -40,14 +39,14 @@ file.
 
 The energy and force values are computed at distances from inner to
 outer for 2 interacting atoms forming a bond of type btype, using the
-appropriate :doc:`bond\_coeff <bond_coeff>` coefficients. N evenly spaced
+appropriate :doc:`bond_coeff <bond_coeff>` coefficients. N evenly spaced
 distances are used.
 
 For example, for N = 7, inner = 1.0, and outer = 4.0,
 values are computed at r = 1.0, 1.5, 2.0, 2.5, 3.0, 3.5, 4.0.
 
 The file is written in the format used as input for the
-:doc:`bond\_style <bond_style>` *table* option with *keyword* as the
+:doc:`bond_style <bond_style>` *table* option with *keyword* as the
 section name.  Each line written to the file lists an index number
 (1-N), a distance (in distance units), an energy (in energy units),
 and a force (in force units).
@@ -65,12 +64,7 @@ be specified even if the potential has a finite value at r = 0.0.
 Related commands
 """"""""""""""""
 
-:doc:`bond\_style table <bond_table>`,
-:doc:`bond\_style <bond_style>`, :doc:`bond\_coeff <bond_coeff>`
+:doc:`bond_style table <bond_table>`,
+:doc:`bond_style <bond_style>`, :doc:`bond_coeff <bond_coeff>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/bond_zero.rst b/doc/src/bond_zero.rst
index 38e7ecf505..43a0af33e2 100644
--- a/doc/src/bond_zero.rst
+++ b/doc/src/bond_zero.rst
@@ -1,26 +1,26 @@
-.. index:: bond\_style zero
+.. index:: bond_style zero
 
-bond\_style zero command
-========================
+bond_style zero command
+=======================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
-   bond_style zero *nocoeff*
+   bond_style zero [nocoeff]
 
 Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    bond_style zero
    bond_style zero nocoeff
-   bond_coeff \*
-   bond_coeff \* 2.14
+   bond_coeff *
+   bond_coeff * 2.14
 
 Description
 """""""""""
@@ -53,8 +53,3 @@ Related commands
 :doc:`bond\_style none <bond_none>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/compute.rst b/doc/src/compute.rst
index 419352a9ac..9c66c58bd9 100644
--- a/doc/src/compute.rst
+++ b/doc/src/compute.rst
@@ -191,6 +191,7 @@ The individual style names on the :doc:`Commands compute <Commands_compute>` doc
 * :doc:`bond <compute_bond>` - energy of each bond sub-style
 * :doc:`bond/local <compute_bond_local>` - distance and energy of each bond
 * :doc:`centro/atom <compute_centro_atom>` - centro-symmetry parameter for each atom
+* :doc:`centroid/stress/atom <compute_stress_atom>` - centroid based stress tensor for each atom
 * :doc:`chunk/atom <compute_chunk_atom>` - assign chunk IDs to each atom
 * :doc:`chunk/spread/atom <compute_chunk_spread_atom>` - spreads chunk values to each atom in chunk
 * :doc:`cluster/atom <compute_cluster_atom>` - cluster ID for each atom
@@ -286,9 +287,10 @@ The individual style names on the :doc:`Commands compute <Commands_compute>` doc
 * :doc:`smd/ulsph/strain/rate <compute_smd_ulsph_strain_rate>` -
 * :doc:`smd/ulsph/stress <compute_smd_ulsph_stress>` - per-particle Cauchy stress tensor and von Mises equivalent stress in Smooth Mach Dynamics
 * :doc:`smd/vol <compute_smd_vol>` - per-particle volumes and their sum in Smooth Mach Dynamics
-* :doc:`sna/atom <compute_sna_atom>` - calculate bispectrum coefficients for each atom
-* :doc:`snad/atom <compute_sna_atom>` - derivative of bispectrum coefficients for each atom
-* :doc:`snav/atom <compute_sna_atom>` - virial contribution from bispectrum coefficients for each atom
+* :doc:`snap <compute_sna_atom>` - bispectrum components and related quantities for a group of atoms
+* :doc:`sna/atom <compute_sna_atom>` - bispectrum components for each atom
+* :doc:`snad/atom <compute_sna_atom>` - derivative of bispectrum components for each atom
+* :doc:`snav/atom <compute_sna_atom>` - virial contribution from bispectrum components for each atom
 * :doc:`spin <compute_spin>` - magnetic quantities for a system of atoms having spins
 * :doc:`stress/atom <compute_stress_atom>` - stress tensor for each atom
 * :doc:`stress/mop <compute_stress_mop>` - normal components of the local stress tensor using the method of planes
diff --git a/doc/src/compute_heat_flux.rst b/doc/src/compute_heat_flux.rst
index 9642582c5e..3b7058d3d3 100644
--- a/doc/src/compute_heat_flux.rst
+++ b/doc/src/compute_heat_flux.rst
@@ -54,38 +54,57 @@ third calculates per-atom stress (\ *stress-ID*\ ).
    (or any group whose atoms are superset of the atoms in this compute's
    group).  LAMMPS does not check for this.
 
-The Green-Kubo formulas relate the ensemble average of the
-auto-correlation of the heat flux J to the thermal conductivity kappa:
+In case of two-body interactions, the heat flux is defined as:
 
-.. image:: Eqs/heat_flux_J.jpg
-   :align: center
+.. math::
+   \mathbf{J} &= \frac{1}{V} \left[ \sum_i e_i \mathbf{v}_i - \sum_{i} \mathbf{S}_{i} \mathbf{v}_i \right] \\
+   &= \frac{1}{V} \left[ \sum_i e_i \mathbf{v}_i + \sum_{i<j} \left( \mathbf{F}_{ij} \cdot \mathbf{v}_j \right) \mathbf{r}_{ij} \right] \\
+   &= \frac{1}{V} \left[ \sum_i e_i \mathbf{v}_i + \frac{1}{2} \sum_{i<j} \left( \mathbf{F}_{ij} \cdot \left(\mathbf{v}_i + \mathbf{v}_j \right)  \right) \mathbf{r}_{ij} \right]
 
-.. image:: Eqs/heat_flux_k.jpg
-   :align: center
-
-Ei in the first term of the equation for J is the per-atom energy
-(potential and kinetic).  This is calculated by the computes *ke-ID*
-and *pe-ID*\ .  Si in the second term of the equation for J is the
-per-atom stress tensor calculated by the compute *stress-ID*\ .  The
-tensor multiplies Vi as a 3x3 matrix-vector multiply to yield a
-vector.  Note that as discussed below, the 1/V scaling factor in the
-equation for J is NOT included in the calculation performed by this
-compute; you need to add it for a volume appropriate to the atoms
+:math:`e_i` in the first term of the equation
+is the per-atom energy (potential and kinetic).
+This is calculated by the computes *ke-ID*
+and *pe-ID*. :math:`\mathbf{S}_i` in the second term is the
+per-atom stress tensor calculated by the compute *stress-ID*.
+See :doc:`compute stress/atom <compute_stress_atom>`
+and :doc:`compute centroid/stress/atom <compute_stress_atom>`
+for possible definitions of atomic stress :math:`\mathbf{S}_i`
+in the case of bonded and many-body interactions.
+The tensor multiplies :math:`\mathbf{v}_i` as a 3x3 matrix-vector multiply
+to yield a vector.
+Note that as discussed below, the 1/:math:`{V}` scaling factor in the
+equation for :math:`\mathbf{J}` is NOT included in the calculation performed by
+these computes; you need to add it for a volume appropriate to the atoms
 included in the calculation.
 
 .. note::
 
-   The :doc:`compute pe/atom <compute_pe_atom>` and :doc:`compute stress/atom <compute_stress_atom>` commands have options for which
+   The :doc:`compute pe/atom <compute_pe_atom>` and
+   :doc:`compute stress/atom <compute_stress_atom>`
+   commands have options for which
    terms to include in their calculation (pair, bond, etc).  The heat
-   flux calculation will thus include exactly the same terms.  Normally
+   flux calculation will thus include exactly the same terms. Normally
    you should use :doc:`compute stress/atom virial <compute_stress_atom>`
+   or :doc:`compute centroid/stress/atom virial <compute_stress_atom>`
    so as not to include a kinetic energy term in the heat flux.
 
-This compute calculates 6 quantities and stores them in a 6-component
-vector.  The first 3 components are the x, y, z components of the full
-heat flux vector, i.e. (Jx, Jy, Jz).  The next 3 components are the x,
-y, z components of just the convective portion of the flux, i.e. the
-first term in the equation for J above.
+
+.. warning::
+
+   The compute *heat/flux* has been reported to produce unphysical
+   values for angle, dihedral and improper contributions
+   when used with :doc:`compute stress/atom <compute_stress_atom>`,
+   as discussed in :ref:`(Surblys) <Surblys2>` and :ref:`(Boone) <Boone>`.
+   You are strongly advised to
+   use :doc:`compute centroid/stress/atom <compute_stress_atom>`,
+   which has been implemented specifically for such cases.
+
+The Green-Kubo formulas relate the ensemble average of the
+auto-correlation of the heat flux :math:`\mathbf{J}`
+to the thermal conductivity :math:`\kappa`:
+
+.. math::
+   \kappa  = \frac{V}{k_B T^2} \int_0^\infty \langle J_x(0)  J_x(t) \rangle \, \mathrm{d} t = \frac{V}{3 k_B T^2} \int_0^\infty \langle \mathbf{J}(0) \cdot  \mathbf{J}(t)  \rangle \, \mathrm{d}t
 
 
 ----------
@@ -109,9 +128,15 @@ result should be: average conductivity ~0.29 in W/mK.
 
 **Output info:**
 
-This compute calculates a global vector of length 6 (total heat flux
-vector, followed by convective heat flux vector), which can be
-accessed by indices 1-6.  These values can be used by any command that
+This compute calculates a global vector of length 6.
+The first 3 components are the :math:`x`, :math:`y`, :math:`z`
+components of the full heat flux vector,
+i.e. (:math:`J_x`, :math:`J_y`, :math:`J_z`).
+The next 3 components are the :math:`x`, :math:`y`, :math:`z` components
+of just the convective portion of the flux, i.e. the
+first term in the equation for :math:`\mathbf{J}`.
+Each component can be
+accessed by indices 1-6. These values can be used by any command that
 uses global vector values from a compute as input.  See the :doc:`Howto output <Howto_output>` doc page for an overview of LAMMPS output
 options.
 
@@ -212,6 +237,22 @@ Related commands
    print        "average conductivity: $k[W/mK] @ $T K, ${ndens} /A\^3"
 
 
+----------
+
+
+.. _Surblys2:
+
+
+
+**(Surblys)** Surblys, Matsubara, Kikugawa, Ohara, Phys Rev E, 99, 051301(R) (2019).
+
+.. _Boone:
+
+
+
+**(Boone)** Boone, Babaei, Wilmer, J Chem Theory Comput, 15, 5579--5587 (2019).
+
+
 .. _lws: http://lammps.sandia.gov
 .. _ld: Manual.html
 .. _lc: Commands_all.html
diff --git a/doc/src/compute_sna_atom.rst b/doc/src/compute_sna_atom.rst
index 882fdbb0a0..8556b3971b 100644
--- a/doc/src/compute_sna_atom.rst
+++ b/doc/src/compute_sna_atom.rst
@@ -9,6 +9,9 @@ compute snad/atom command
 compute snav/atom command
 =========================
 
+compute snap command
+====================
+
 Syntax
 """"""
 
@@ -17,7 +20,8 @@ Syntax
 
    compute ID group-ID sna/atom rcutfac rfac0 twojmax R_1 R_2 ... w_1 w_2 ... keyword values ...
    compute ID group-ID snad/atom rcutfac rfac0 twojmax R_1 R_2 ... w_1 w_2 ... keyword values ...
-   compute ID group-ID snav/atom rcutfac rfac0 twojmax R_1 R_2 ... w_1 w_2 ... keyword values ...
+   compute ID group-ID snav/atom rcutfac rfac0 twojmax R_1 R_2 ... w_1 w_2 ... keyword values ... 
+   compute ID group-ID snap rcutfac rfac0 twojmax R_1 R_2 ... w_1 w_2 ... keyword values ...
 
 * ID, group-ID are documented in :doc:`compute <compute>` command
 * sna/atom = style name of this compute command
@@ -53,12 +57,17 @@ Examples
    compute b all sna/atom 1.4 0.99363 6 2.0 2.4 0.75 1.0 rmin0 0.0
    compute db all sna/atom 1.4 0.95 6 2.0 1.0
    compute vb all sna/atom 1.4 0.95 6 2.0 1.0
+   compute snap all snap 1.4 0.95 6 2.0 1.0
 
 Description
 """""""""""
 
-Define a computation that calculates a set of bispectrum components
-for each atom in a group.
+Define a computation that calculates a set of quantities related to the
+bispectrum components of the atoms in a group. These computes are
+used primarily for calculating the dependence of energy, force, and
+stress components on the linear coefficients in the 
+:doc:`snap pair\_style <pair_snap>`, which is useful when training a
+SNAP potential to match target data.
 
 Bispectrum components of an atom are order parameters characterizing
 the radial and angular distribution of neighbor atoms. The detailed
@@ -148,6 +157,30 @@ Again, the sum is over all atoms *i'* of atom type *I*\ .  For each atom
 virial components, each atom type, and each bispectrum component.  See
 section below on output for a detailed explanation.
 
+Compute *snap* calculates a global array contains information related
+to all three of the above per-atom computes *sna/atom*\ , *snad/atom*\ ,
+and *snav/atom*\ . The first row of the array contains the summation of 
+*sna/atom* over all atoms, but broken out by type. The last six rows
+of the array contain the summation of *snav/atom* over all atoms, broken
+out by type. In between these are 3\*\ *N* rows containing the same values
+computed by *snad/atom* (these are already summed over all atoms and
+broken out by type). The element in the last column of each row contains
+the potential energy, force, or stress, according to the row.
+These quantities correspond to the user-specified reference potential
+that must be subtracted from the target data when fitting SNAP.
+The potential energy calculation uses the built in compute *thermo\_pe*.
+The stress calculation uses a compute called *snap\_press* that is
+automatically created behind the scenes, according to the following
+command:
+
+
+.. parsed-literal::
+
+   compute snap_press all pressure NULL virial
+
+See section below on output for a detailed explanation of the data
+layout in the global array.
+
 The value of all bispectrum components will be zero for atoms not in
 the group. Neighbor atoms not in the group do not contribute to the
 bispectrum of atoms in the group.
@@ -239,10 +272,25 @@ block contains six sub-blocks corresponding to the *xx*\ , *yy*\ , *zz*\ ,
 notation.  Each of these sub-blocks contains one column for each
 bispectrum component, the same as for compute *sna/atom*
 
+Compute *snap* evaluates a global array. 
+The columns are arranged into
+*ntypes* blocks, listed in order of atom type *I*\ . Each block
+contains one column for each bispectrum component, the same as for compute
+*sna/atom*\ . A final column contains the corresponding energy, force component
+on an atom, or virial stress component. The rows of the array appear 
+in the following order:
+
+* 1 row: *sna/atom* quantities summed for all atoms of type *I*
+* 3\*\ *N* rows: *snad/atom* quantities, with derivatives w.r.t. x, y, and z coordinate of atom *i* appearing in consecutive rows. The atoms are sorted based on atom ID.
+* 6 rows: *snav/atom* quantities summed for all atoms of type *I*
+
 For example, if *K* =30 and ntypes=1, the number of columns in the per-atom
 arrays generated by *sna/atom*\ , *snad/atom*\ , and *snav/atom*
 are 30, 90, and 180, respectively. With *quadratic* value=1,
 the numbers of columns are 930, 2790, and 5580, respectively.
+The number of columns in the global array generated by *snap*
+are 31, and 931, respectively, while the number of rows is
+1+3\*\ *N*\ +6, where *N* is the total number of atoms.
 
 If the *quadratic* keyword value is set to 1, then additional
 columns are generated, corresponding to
diff --git a/doc/src/compute_spin.rst b/doc/src/compute_spin.rst
index 4dd3103d78..034d2ab685 100644
--- a/doc/src/compute_spin.rst
+++ b/doc/src/compute_spin.rst
@@ -7,7 +7,7 @@ Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    compute ID group-ID spin
 
@@ -18,7 +18,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    compute out_mag all spin
 
@@ -28,24 +28,22 @@ Description
 Define a computation that calculates magnetic quantities for a system
 of atoms having spins.
 
-This compute calculates 6 magnetic quantities.
+This compute calculates the following 6 magnetic quantities:
 
-The three first quantities are the x,y and z coordinates of the total
-magnetization.
+* the three first quantities are the x,y and z coordinates of the total
+  magnetization,
+* the fourth quantity is the norm of the total magnetization,
+* The fifth quantity is the magnetic energy (in eV),
+* The sixth one is referred to as the spin temperature, according
+  to the work of :ref:`(Nurdin) <Nurdin1>`.
 
-The fourth quantity is the norm of the total magnetization.
-
-The fifth quantity is the magnetic energy.
-
-The sixth one is referred to as the spin temperature, according
-to the work of :ref:`(Nurdin) <Nurdin1>`.
 
 The simplest way to output the results of the compute spin calculation
 is to define some of the quantities as variables, and to use the thermo and
 thermo\_style commands, for example:
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    compute out_mag         all spin
 
@@ -74,9 +72,13 @@ The *spin* compute is part of the SPIN package.  This compute is only
 enabled if LAMMPS was built with this package.  See the :doc:`Build package <Build_package>` doc page for more info.  The atom\_style
 has to be "spin" for this compute to be valid.
 
-**Related commands:** none
+**Related commands:**
 
-**Default:** none
+none
+
+**Default:**
+
+none
 
 
 ----------
@@ -87,8 +89,3 @@ has to be "spin" for this compute to be valid.
 
 
 **(Nurdin)** Nurdin and Schotte Phys Rev E, 61(4), 3579 (2000)
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/compute_stress_atom.rst b/doc/src/compute_stress_atom.rst
index 07d3526041..c37a8cc52d 100644
--- a/doc/src/compute_stress_atom.rst
+++ b/doc/src/compute_stress_atom.rst
@@ -2,6 +2,8 @@
 
 compute stress/atom command
 ===========================
+compute centroid/stress/atom command
+====================================
 
 Syntax
 """"""
@@ -9,10 +11,10 @@ Syntax
 
 .. parsed-literal::
 
-   compute ID group-ID stress/atom temp-ID keyword ...
+   compute ID group-ID style temp-ID keyword ...
 
 * ID, group-ID are documented in :doc:`compute <compute>` command
-* stress/atom = style name of this compute command
+* style = *stress/atom* or *centroid/stress/atom*
 * temp-ID = ID of compute that calculates temperature, can be NULL if not needed
 * zero or more keywords may be appended
 * keyword = *ke* or *pair* or *bond* or *angle* or *dihedral* or *improper* or *kspace* or *fix* or *virial*
@@ -26,38 +28,62 @@ Examples
    compute 1 mobile stress/atom NULL
    compute 1 mobile stress/atom myRamp
    compute 1 all stress/atom NULL pair bond
+   compute 1 all centroid/stress/atom NULL bond dihedral improper
 
 Description
 """""""""""
 
-Define a computation that computes the symmetric per-atom stress
-tensor for each atom in a group.  The tensor for each atom has 6
+Define a computation that computes per-atom stress
+tensor for each atom in a group.  In case of compute *stress/atom*,
+the tensor for each atom is symmetric with 6
 components and is stored as a 6-element vector in the following order:
-xx, yy, zz, xy, xz, yz.  See the :doc:`compute pressure <compute_pressure>` command if you want the stress tensor
+:math:`xx`, :math:`yy`, :math:`zz`, :math:`xy`, :math:`xz`, :math:`yz`.
+In case of compute *centroid/stress/atom*,
+the tensor for each atom is asymmetric with 9 components
+and is stored as a 9-element vector in the following order:
+:math:`xx`, :math:`yy`, :math:`zz`, :math:`xy`, :math:`xz`, :math:`yz`,
+:math:`yx`, :math:`zx`, :math:`zy`.
+See the :doc:`compute pressure <compute_pressure>` command if you want the stress tensor
 (pressure) of the entire system.
 
-The stress tensor for atom *I* is given by the following formula,
-where *a* and *b* take on values x,y,z to generate the 6 components of
-the symmetric tensor:
+The stress tensor for atom :math:`I` is given by the following formula,
+where :math:`a` and :math:`b` take on values :math:`x`, :math:`y`, :math:`z`
+to generate the components of the tensor:
 
-.. image:: Eqs/stress_tensor.jpg
-   :align: center
+.. math::
 
-The first term is a kinetic energy contribution for atom *I*\ .  See
+   S_{ab}  =  - m v_a v_b - W_{ab}
+
+The first term is a kinetic energy contribution for atom :math:`I`.  See
 details below on how the specified *temp-ID* can affect the velocities
-used in this calculation.  The second term is a pairwise energy
-contribution where *n* loops over the *Np* neighbors of atom *I*\ , *r1*
-and *r2* are the positions of the 2 atoms in the pairwise interaction,
-and *F1* and *F2* are the forces on the 2 atoms resulting from the
-pairwise interaction.  The third term is a bond contribution of
-similar form for the *Nb* bonds which atom *I* is part of.  There are
-similar terms for the *Na* angle, *Nd* dihedral, and *Ni* improper
-interactions atom *I* is part of.  There is also a term for the KSpace
-contribution from long-range Coulombic interactions, if defined.
-Finally, there is a term for the *Nf* :doc:`fixes <fix>` that apply
-internal constraint forces to atom *I*\ .  Currently, only the :doc:`fix shake <fix_shake>` and :doc:`fix rigid <fix_rigid>` commands
-contribute to this term.
+used in this calculation. The second term is the virial
+contribution due to intra and intermolecular interactions,
+where the exact computation details are determined by the compute style.
 
+In case of compute *stress/atom*, the virial contribution is:
+
+.. math::
+
+   W_{ab} & = \frac{1}{2} \sum_{n = 1}^{N_p} (r_{1_a} F_{1_b} + r_{2_a} F_{2_b}) + \frac{1}{2} \sum_{n = 1}^{N_b} (r_{1_a} F_{1_b} + r_{2_a} F_{2_b})  \\
+  & + \frac{1}{3} \sum_{n = 1}^{N_a} (r_{1_a} F_{1_b} + r_{2_a} F_{2_b} + r_{3_a} F_{3_b}) + \frac{1}{4} \sum_{n = 1}^{N_d} (r_{1_a} F_{1_b} + r_{2_a} F_{2_b} + r_{3_a} F_{3_b} + r_{4_a} F_{4_b}) \\
+  & + \frac{1}{4} \sum_{n = 1}^{N_i} (r_{1_a} F_{1_b} + r_{2_a} F_{2_b} + r_{3_a} F_{3_b} + r_{4_a} F_{4_b}) + {\rm Kspace}(r_{i_a},F_{i_b}) + \sum_{n = 1}^{N_f} r_{i_a} F_{i_b}
+
+The first term is a pairwise energy
+contribution where :math:`n` loops over the :math:`N_p`
+neighbors of atom :math:`I`, :math:`\mathbf{r}_1` and :math:`\mathbf{r}_2`
+are the positions of the 2 atoms in the pairwise interaction,
+and :math:`\mathbf{F}_1` and :math:`\mathbf{F}_2` are the forces
+on the 2 atoms resulting from the pairwise interaction.
+The second term is a bond contribution of
+similar form for the :math:`N_b` bonds which atom :math:`I` is part of.
+There are similar terms for the :math:`N_a` angle, :math:`N_d` dihedral,
+and :math:`N_i` improper interactions atom :math:`I` is part of.
+There is also a term for the KSpace
+contribution from long-range Coulombic interactions, if defined.
+Finally, there is a term for the :math:`N_f` :doc:`fixes <fix>` that apply
+internal constraint forces to atom :math:`I`. Currently, only the
+:doc:`fix shake <fix_shake>` and :doc:`fix rigid <fix_rigid>` commands
+contribute to this term.
 As the coefficients in the formula imply, a virial contribution
 produced by a small set of atoms (e.g. 4 atoms in a dihedral or 3
 atoms in a Tersoff 3-body interaction) is assigned in equal portions
@@ -66,7 +92,31 @@ the 4 atoms, or 1/3 of the fix virial due to SHAKE constraints applied
 to atoms in a water molecule via the :doc:`fix shake <fix_shake>`
 command.
 
-If no extra keywords are listed, all of the terms in this formula are
+In case of compute *centroid/stress/atom*, the virial contribution is:
+
+.. math::
+
+   W_{ab} & = \sum_{n = 1}^{N_p} r_{I0_a} F_{I_b} + \sum_{n = 1}^{N_b} r_{I0_a} F_{I_b} + \sum_{n = 1}^{N_a} r_{I0_a}  F_{I_b} + \sum_{n = 1}^{N_d} r_{I0_a} F_{I_b} + \sum_{n = 1}^{N_i} r_{I0_a} F_{I_b} \\
+  & + {\rm Kspace}(r_{i_a},F_{i_b}) + \sum_{n = 1}^{N_f} r_{i_a} F_{i_b}
+
+As with compute *stress/atom*, the first, second, third, fourth and fifth terms
+are pairwise, bond, angle, dihedral and improper contributions,
+but instead of assigning the virial contribution equally to each atom,
+only the force :math:`\mathbf{F}_I` acting on atom :math:`I`
+due to the interaction and the relative
+position :math:`\mathbf{r}_{I0}` of the atom :math:`I` to the geometric center
+of the interacting atoms, i.e. centroid, is used.
+As the geometric center is different
+for each interaction, the :math:`\mathbf{r}_{I0}` also differs.
+The sixth and seventh terms, Kspace and :doc:`fix <fix>` contribution
+respectively, are computed identical to compute *stress/atom*.
+Although the total system virial is the same as compute *stress/atom*,
+compute *centroid/stress/atom* is know to result in more consistent
+heat flux values for angle, dihedrals and improper contributions
+when computed via :doc:`compute heat/flux <compute_heat_flux>`.
+
+If no extra keywords are listed, the kinetic contribution
+all of the virial contribution terms are
 included in the per-atom stress tensor.  If any extra keywords are
 listed, only those terms are summed to compute the tensor.  The
 *virial* keyword means include all terms except the kinetic energy
@@ -75,17 +125,32 @@ listed, only those terms are summed to compute the tensor.  The
 Note that the stress for each atom is due to its interaction with all
 other atoms in the simulation, not just with other atoms in the group.
 
-Details of how LAMMPS computes the virial for individual atoms for
+Details of how compute *stress/atom* obtains the virial for individual atoms for
 either pairwise or many-body potentials, and including the effects of
 periodic boundary conditions is discussed in :ref:`(Thompson) <Thompson2>`.
 The basic idea for many-body potentials is to treat each component of
 the force computation between a small cluster of atoms in the same
 manner as in the formula above for bond, angle, dihedral, etc
-interactions.  Namely the quantity R dot F is summed over the atoms in
-the interaction, with the R vectors unwrapped by periodic boundaries
+interactions.  Namely the quantity :math:`\mathbf{r} \cdot \mathbf{F}`
+is summed over the atoms in
+the interaction, with the :math:`r` vectors unwrapped by periodic boundaries
 so that the cluster of atoms is close together.  The total
 contribution for the cluster interaction is divided evenly among those
-atoms.
+atoms. Details of how compute *centroid/stress/atom* obtains
+the virial for individual atoms
+is given in :ref:`(Surblys) <Surblys1>`,
+where the idea is that the virial of the atom :math:`I`
+is the result of only the force :math:`\mathbf{F}_I` on the atom due
+to the interaction
+and its positional vector :math:`\mathbf{r}_{I0}`,
+relative to the geometric center of the
+interacting atoms, regardless of the number of participating atoms.
+The periodic boundary treatment is identical to
+that of compute *stress/atom*, and both of them reduce to identical
+expressions for two-body interactions,
+i.e. computed values for contributions from bonds and two-body pair styles,
+such as :doc:`Lennard-Jones <pair_lj>`, will be the same,
+while contributions from angles, dihedrals and impropers will be different.
 
 The :doc:`dihedral\_style charmm <dihedral_charmm>` style calculates
 pairwise interactions between 1-4 atoms.  The virial contribution of
@@ -126,12 +191,13 @@ See the :doc:`compute voronoi/atom <compute_voronoi_atom>` command for
 one possible way to estimate a per-atom volume.
 
 Thus, if the diagonal components of the per-atom stress tensor are
-summed for all atoms in the system and the sum is divided by dV, where
-d = dimension and V is the volume of the system, the result should be
--P, where P is the total pressure of the system.
+summed for all atoms in the system and the sum is divided by :math:`dV`, where
+:math:`d` = dimension and :math:`V` is the volume of the system,
+the result should be :math:`-P`, where :math:`P`
+is the total pressure of the system.
 
 These lines in an input script for a 3d system should yield that
-result.  I.e. the last 2 columns of thermo output will be the same:
+result. I.e. the last 2 columns of thermo output will be the same:
 
 
 .. parsed-literal::
@@ -149,9 +215,12 @@ result.  I.e. the last 2 columns of thermo output will be the same:
 
 **Output info:**
 
-This compute calculates a per-atom array with 6 columns, which can be
+This compute *stress/atom* calculates a per-atom array with 6 columns, which can be
 accessed by indices 1-6 by any command that uses per-atom values from
-a compute as input.  See the :doc:`Howto output <Howto_output>` doc page
+a compute as input.
+The compute *centroid/stress/atom* produces a per-atom array with 9 columns,
+but otherwise can be used in an identical manner to compute *stress/atom*.
+See the :doc:`Howto output <Howto_output>` doc page
 for an overview of LAMMPS output options.
 
 The per-atom array values will be in pressure\*volume
@@ -159,7 +228,15 @@ The per-atom array values will be in pressure\*volume
 
 Restrictions
 """"""""""""
- none
+Currently, compute *centroid/stress/atom* does not support
+pair styles with many-body interactions,
+such as :doc:`Tersoff <pair_tersoff>`,
+and LAMMPS will generate an error in such cases.
+In principal, equivalent formulation
+to that of angle, dihedral and improper contributions
+in the virial :math:`W_{ab}` formula
+can also be applied to the many-body pair styles,
+and is planned in the future.
 
 Related commands
 """"""""""""""""
@@ -176,7 +253,7 @@ Related commands
 
 
 
-**(Heyes)** Heyes, Phys Rev B 49, 755 (1994),
+**(Heyes)** Heyes, Phys Rev B, 49, 755 (1994).
 
 .. _Sirk1:
 
@@ -190,6 +267,12 @@ Related commands
 
 **(Thompson)** Thompson, Plimpton, Mattson, J Chem Phys, 131, 154107 (2009).
 
+.. _Surblys1:
+
+
+
+**(Surblys)** Surblys, Matsubara, Kikugawa, Ohara, Phys Rev E, 99, 051301(R) (2019).
+
 
 .. _lws: http://lammps.sandia.gov
 .. _ld: Manual.html
diff --git a/doc/src/fix_precession_spin.rst b/doc/src/fix_precession_spin.rst
index f2b99fa4a2..2c84eaa304 100644
--- a/doc/src/fix_precession_spin.rst
+++ b/doc/src/fix_precession_spin.rst
@@ -7,7 +7,7 @@ Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    fix ID group precession/spin style args
 
@@ -37,7 +37,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    fix 1 all precession/spin zeeman 0.1 0.0 0.0 1.0
    fix 1 3 precession/spin anisotropy 0.001 0.0 0.0 1.0
@@ -53,42 +53,83 @@ Style *zeeman* is used for the simulation of the interaction
 between the magnetic spins in the defined group and an external
 magnetic field:
 
-.. image:: Eqs/force_spin_zeeman.jpg
+.. math::
+
+   H_{Zeeman} = -g \sum_{i=0}^{N}\mu_{i}\, \vec{s}_{i} \cdot\vec{B}_{ext}
+
+with:
+
+* :math:`\vec{B}_{ext}` the external magnetic field (in T)
+* :math:`g` the Lande factor (hard-coded as :math:`g=2.0`)
+* :math:`\vec{s}_i` the unitary vector describing the orientation of spin :math:`i`
+* :math:`\mu_i` the atomic moment of spin :math:`i` given as a multiple of the
+  Bohr magneton :math:`\mu_B` (for example, :math:`\mu_i \approx 2.2` in bulk iron).
+
+
+The field value in Tesla is multiplied by the gyromagnetic
+ratio, :math:`g \cdot \mu_B/\hbar`, converting it into a precession frequency in
+rad.THz (in metal units and with :math:`\mu_B = 5.788 eV/T`).
+
+As a comparison, the figure below displays the simulation of a
+single spin (of norm :math:`\mu_i = 1.0`) submitted to an external
+magnetic field of :math:`\vert B_{ext}\vert = 10.0\; \mathrm{Tesla}` (and oriented along the z
+axis). 
+The upper plot shows the average magnetization along the
+external magnetic field axis and the lower plot the Zeeman
+energy, both as a function of temperature.
+The reference result is provided by the plot of the Langevin 
+function for the same parameters.
+
+.. image:: JPG/zeeman_langevin.jpg
    :align: center
 
-with mu0 the vacuum permeability, muB the Bohr magneton (muB = 5.788 eV/T
-in metal units).
+The temperature effects are accounted for by connecting the spin
+:math:`i` to a thermal bath using a Langevin thermostat (see
+:doc:`fix\_langevin\_spin <fix_langevin_spin>` for the definition of 
+this thermostat).
 
 Style *anisotropy* is used to simulate an easy axis or an easy plane
 for the magnetic spins in the defined group:
 
-.. image:: Eqs/force_spin_aniso.jpg
-   :align: center
+.. math::
 
-with n defining the direction of the anisotropy, and K (in eV) its intensity.
-If K>0, an easy axis is defined, and if K<0, an easy plane is defined.
+   H_{aniso}  = -\sum_{{ i}=1}^{N} K_{an}(\mathbf{r}_{i})\, \left( \vec{s}_{i} \cdot \vec{n}_{i} \right)^2
+
+with :math:`n` defining the direction of the anisotropy, and :math:`K` (in eV) its intensity.
+If :math:`K > 0`, an easy axis is defined, and if :math:`K < 0`, an easy plane is defined.
 
 Style *cubic* is used to simulate a cubic anisotropy, with three
 possible easy axis for the magnetic spins in the defined group:
 
-.. image:: Eqs/fix_spin_cubic.jpg
-   :align: center
+.. math::
 
-with K1 and K2c (in eV) the intensity coefficients and
-n1, n2 and n3 defining the three anisotropic directions
-defined by the command (from n1x to n3z).
-For n1 = (100), n2 = (010), and n3 = (001), K1 < 0 defines an
-iron type anisotropy (easy axis along the (001)-type cube
-edges), and K1 > 0 defines a nickel type anisotropy (easy axis
-along the (111)-type cube diagonals).
-K2\^c > 0 also defines easy axis along the (111)-type cube
+   H_{cubic} = -\sum_{{ i}=1}^{N} K_{1}
+   \Big[
+   \left(\vec{s}_{i} \cdot \vec{n_1} \right)^2
+   \left(\vec{s}_{i} \cdot \vec{n_2} \right)^2 +
+   \left(\vec{s}_{i} \cdot \vec{n_2} \right)^2
+   \left(\vec{s}_{i} \cdot \vec{n_3} \right)^2 +
+   \left(\vec{s}_{i} \cdot \vec{n_1} \right)^2
+   \left(\vec{s}_{i} \cdot \vec{n_3} \right)^2 \Big]
+   +K_{2}^{(c)} \left(\vec{s}_{i} \cdot \vec{n_1} \right)^2
+   \left(\vec{s}_{i} \cdot \vec{n_2} \right)^2
+   \left(\vec{s}_{i} \cdot \vec{n_3} \right)^2
+
+with :math:`K_1` and :math:`K_{2c}` (in eV) the intensity coefficients and
+:math:`\vec{n}_1`, :math:`\vec{n}_2` and :math:`\vec{n}_3` defining the three anisotropic directions
+defined by the command (from *n1x* to *n3z*).
+For :math:`\vec{n}_1 = (1 0 0)`, :math:`\vec{n}_2 = (0 1 0)`, and :math:`\vec{n}_3 = (0 0 1)`, :math:`K_1 < 0` defines an
+iron type anisotropy (easy axis along the :math:`(0 0 1)`-type cube
+edges), and :math:`K_1 > 0` defines a nickel type anisotropy (easy axis
+along the :math:`(1 1 1)`-type cube diagonals).
+:math:`K_2^c > 0` also defines easy axis along the :math:`(1 1 1)`-type cube
 diagonals.
 See chapter 2 of :ref:`(Skomski) <Skomski1>` for more details on cubic
 anisotropies.
 
-In all cases, the choice of (x y z) only imposes the vector
+In all cases, the choice of :math:`(x y z)` only imposes the vector
 directions for the forces. Only the direction of the vector is
-important; it's length is ignored (the entered vectors are
+important; its length is ignored (the entered vectors are
 normalized).
 
 Those styles can be combined within one single command line.
@@ -105,7 +146,7 @@ The :doc:`fix\_modify <fix_modify>` *energy* option is supported by this fix
 to add this magnetic potential energy to the potential energy of the system,
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    fix             1 all precession/spin zeeman 1.0 0.0 0.0 1.0
    fix_modify      1 energy yes
@@ -128,7 +169,9 @@ Related commands
 
 :doc:`atom\_style spin <atom_style>`
 
-**Default:** none
+**Default:**
+
+none
 
 
 ----------
@@ -140,8 +183,3 @@ Related commands
 
 **(Skomski)** Skomski, R. (2008). Simple models of magnetism.
 Oxford University Press.
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/fix_restrain.rst b/doc/src/fix_restrain.rst
index 0276194bd2..0fc0ccee77 100644
--- a/doc/src/fix_restrain.rst
+++ b/doc/src/fix_restrain.rst
@@ -7,7 +7,7 @@ Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    fix ID group-ID restrain keyword args ...
 
@@ -39,7 +39,7 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    fix holdem all restrain bond 45 48 2000.0 2000.0 2.75
    fix holdem all restrain dihedral 1 2 3 4 2000.0 2000.0 120.0
@@ -98,7 +98,7 @@ conventional force field terms.  If the restraint is applied during a
 dynamics run (as opposed to during an energy minimization), a large
 restraint coefficient can significantly reduce the stable timestep
 size, especially if the atoms are initially far from the preferred
-conformation.  You may need to experiment to determine what value of K
+conformation.  You may need to experiment to determine what value of :math:`K`
 works best for a given application.
 
 For the case of finding a minimum energy structure for a single
@@ -107,7 +107,7 @@ parameters or constructing a potential energy surface), commands such
 as the following may be useful:
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    # minimize molecule energy with restraints
    velocity all create 600.0 8675309 mom yes rot yes dist gaussian
@@ -134,16 +134,18 @@ The *bond* keyword applies a bond restraint to the specified atoms
 using the same functional form used by the :doc:`bond\_style harmonic <bond_harmonic>` command.  The potential associated with
 the restraint is
 
-.. image:: Eqs/bond_harmonic.jpg
-   :align: center
+.. math::
+
+   E = K (r - r_0)^2
+
 
 with the following coefficients:
 
-* K (energy/distance\^2)
-* r0 (distance)
+* :math:`K` (energy/distance\^2)
+* :math:`r_0` (distance)
 
-K and r0 are specified with the fix.  Note that the usual 1/2 factor
-is included in K.
+:math:`K` and :math:`r_0` are specified with the fix.  Note that the usual 1/2 factor
+is included in :math:`K`.
 
 
 ----------
@@ -153,16 +155,17 @@ The *angle* keyword applies an angle restraint to the specified atoms
 using the same functional form used by the :doc:`angle\_style harmonic <angle_harmonic>` command.  The potential associated with
 the restraint is
 
-.. image:: Eqs/angle_harmonic.jpg
-   :align: center
+.. math::
+
+   E = K (\theta - \theta_0)^2
 
 with the following coefficients:
 
-* K (energy/radian\^2)
-* theta0 (degrees)
+* :math:`K` (energy/radian\^2)
+* :math:`\theta_0` (degrees)
 
-K and theta0 are specified with the fix.  Note that the usual 1/2
-factor is included in K.
+:math:`K` and :math:`\theta_0` are specified with the fix.  Note that the usual 1/2
+factor is included in :math:`K`.
 
 
 ----------
@@ -173,20 +176,22 @@ atoms using a simplified form of the function used by the
 :doc:`dihedral\_style charmm <dihedral_charmm>` command.  The potential
 associated with the restraint is
 
-.. image:: Eqs/dihedral_charmm.jpg
-   :align: center
+.. math::
+
+   E = K [ 1 + \cos (n \phi - d) ]
+
 
 with the following coefficients:
 
-* K (energy)
-* n (multiplicity, >= 0)
-* d (degrees) = phi0 + 180
+* :math:`K` (energy)
+* :math:`n` (multiplicity, >= 0)
+* :math:`d` (degrees) = :math:`\phi_0 + 180`
 
-K and phi0 are specified with the fix.  Note that the value of the
-dihedral multiplicity *n* is set by default to 1. You can use the
+:math:`K` and :math:`\phi_0` are specified with the fix.  Note that the value of the
+dihedral multiplicity :math:`n` is set by default to 1. You can use the
 optional *mult* keyword to set it to a different positive integer.
 Also note that the energy will be a minimum when the
-current dihedral angle phi is equal to phi0.
+current dihedral angle :math:`\phi` is equal to :math:`\phi_0`.
 
 
 ----------
@@ -233,8 +238,3 @@ Restrictions
 **Related commands:** none
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/pair_agni.rst b/doc/src/pair_agni.rst
index 5194d670b4..96bcf5eccd 100644
--- a/doc/src/pair_agni.rst
+++ b/doc/src/pair_agni.rst
@@ -105,8 +105,11 @@ Restrictions
 
 
 Currently, only elemental systems are implemented. Also, the method
-only provides access to the forces and not energies or
-stresses. However, one can access the energy via thermodynamic
+only provides access to the forces and not energies or stresses.
+The lack of potential energy data makes this pair style incompatible with
+several of the :doc:`minimizer algorthms <min_style>` like *cg* or *sd*\ .
+It should work with damped dynamics based minimizers like *fire* or
+*quickmin*\ .  However, one can access the energy via thermodynamic
 integration of the forces as discussed in
 :ref:`(Botu3) <Botu2016construct>`.  This pair style is part of the
 USER-MISC package. It is only enabled if LAMMPS was built with that
diff --git a/doc/src/pair_list.rst b/doc/src/pair_list.rst
index 3a161fb408..b74070c4d3 100644
--- a/doc/src/pair_list.rst
+++ b/doc/src/pair_list.rst
@@ -1,13 +1,13 @@
-.. index:: pair\_style list
+.. index:: pair_style list
 
-pair\_style list command
-========================
+pair_style list command
+=======================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    pair_style list listfile cutoff keyword
 
@@ -19,14 +19,14 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    pair_style list restraints.txt 200.0
-   pair_coeff \* \*
+   pair_coeff * *
 
    pair_style hybrid/overlay lj/cut 1.1225 list pair_list.txt 300.0
-   pair_coeff \* \* lj/cut 1.0 1.0
-   pair_coeff 3\* 3\* list
+   pair_coeff * * lj/cut 1.0 1.0
+   pair_coeff 3* 3* list
 
 Description
 """""""""""
@@ -77,36 +77,41 @@ Here is an example file:
 
 The style *lj126* computes pairwise interactions with the formula
 
-.. image:: Eqs/pair_lj.jpg
-   :align: center
+.. math::
+
+   E = 4 \epsilon \left[ \left(\frac{\sigma}{r}\right)^{12} - \left(\frac{\sigma}{r}\right)^6 \right] \qquad r < r_c
+
 
 and the coefficients:
 
-* epsilon (energy units)
-* sigma (distance units)
+* :math:`\epsilon` (energy units)
+* :math:`\sigma` (distance units)
 
 The style *morse* computes pairwise interactions with the formula
 
-.. image:: Eqs/pair_morse.jpg
-   :align: center
+.. math::
+
+   E = D_0 \left[ e^{- 2 \alpha (r - r_0)} - 2 e^{- \alpha (r - r_0)} \right] \qquad r < r_c
+
 
 and the coefficients:
 
-* D0 (energy units)
-* alpha (1/distance units)
-* r0 (distance units)
+* :math:`D_0` (energy units)
+* :math:`\alpha` (1/distance units)
+* :math:`r_0` (distance units)
 
 The style *harmonic* computes pairwise interactions with the formula
 
-.. image:: Eqs/bond_harmonic.jpg
-   :align: center
+.. math::
+
+   E = K (r - r_0)^2
 
 and the coefficients:
 
-* K (energy units)
-* r0 (distance units)
+* :math:`K` (energy units)
+* :math:`r_0` (distance units)
 
-Note that the usual 1/2 factor is included in K.
+Note that the usual 1/2 factor is included in :math:`K`.
 
 
 ----------
@@ -161,8 +166,3 @@ Related commands
 :doc:`bond\_style harmonic <bond_harmonic>`
 
 **Default:** none
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/pair_spin_exchange.rst b/doc/src/pair_spin_exchange.rst
index 44533b69a0..3bbbed421b 100644
--- a/doc/src/pair_spin_exchange.rst
+++ b/doc/src/pair_spin_exchange.rst
@@ -7,7 +7,7 @@ Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    pair_style spin/exchange cutoff
 
@@ -18,10 +18,10 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    pair_style spin/exchange 4.0
-   pair_coeff \* \* exchange 4.0 0.0446928 0.003496 1.4885
+   pair_coeff * * exchange 4.0 0.0446928 0.003496 1.4885
    pair_coeff 1 2 exchange 6.0 -0.01575 0.0 1.965
 
 Description
@@ -30,35 +30,43 @@ Description
 Style *spin/exchange* computes the exchange interaction between
 pairs of magnetic spins:
 
-.. image:: Eqs/pair_spin_exchange_interaction.jpg
-   :align: center
+.. math::
 
-where si and sj are two neighboring magnetic spins of two particles,
-rij = ri - rj is the inter-atomic distance between the two particles,
-and J(rij) is a function defining the intensity and the sign of the exchange
+   H_{ex} = -\sum_{i,j}^N J_{ij} (r_{ij}) \,\vec{s}_i \cdot \vec{s}_j 
+
+where :math:`\vec{s}_i` and :math:`\vec{s}_j` are two neighboring magnetic spins of two particles,
+:math:`r_{ij} = \vert \vec{r}_i - \vec{r}_j \vert` is the inter-atomic distance between the two
+particles. The summation is over pairs of nearest neighbors. 
+:math:`J(r_{ij})` is a function defining the intensity and the sign of the exchange
 interaction for different neighboring shells. This function is defined as:
 
-.. image:: Eqs/pair_spin_exchange_function.jpg
-   :align: center
+.. math::
 
-where a, b and d are the three constant coefficients defined in the associated
-"pair\_coeff" command (see below for more explanations).
+    {J}\left( r_{ij} \right) = 4 a \left( \frac{r_{ij}}{d}  \right)^2 \left( 1 - b \left( \frac{r_{ij}}{d}  \right)^2 \right) e^{-\left( \frac{r_{ij}}{d} \right)^2 }\Theta (R_c - r_{ij})
 
-The coefficients a, b, and d need to be fitted so that the function above matches with
-the value of the exchange interaction for the N neighbor shells taken into account.
+where :math:`a`, :math:`b` and :math:`d` are the three constant coefficients defined in the associated
+"pair\_coeff" command, and :math:`R_c` is the radius cutoff associated to
+the pair interaction (see below for more explanations).
+
+The coefficients :math:`a`, :math:`b`, and :math:`d` need to be fitted so that the function above matches with
+the value of the exchange interaction for the :math:`N` neighbor shells taken into account.
 Examples and more explanations about this function and its parameterization are reported
 in :ref:`(Tranchida) <Tranchida3>`.
 
-From this exchange interaction, each spin i will be submitted
-to a magnetic torque omega, and its associated atom can be submitted to a
-force F for spin-lattice calculations (see :doc:`fix\_nve\_spin <fix_nve_spin>`),
+From this exchange interaction, each spin :math:`i` will be submitted
+to a magnetic torque :math:`\vec{\omega}`, and its associated atom can be submitted to a
+force :math:`\vec{F}` for spin-lattice calculations (see :doc:`fix\_nve\_spin <fix_nve_spin>`),
 such as:
 
-.. image:: Eqs/pair_spin_exchange_forces.jpg
-   :align: center
+.. math::
 
-with h the Planck constant (in metal units), and eij = (ri - rj)/\|ri-rj\| the unit
-vector between sites i and j.
+   \vec{\omega}_{i} = \frac{1}{\hbar} \sum_{j}^{Neighb} {J} 
+   \left(r_{ij} \right)\,\vec{s}_{j} 
+   ~~{\rm and}~~ 
+   \vec{F}_{i} = \sum_{j}^{Neighb} \frac{\partial {J} \left(r_{ij} \right)}{ \partial r_{ij}} \left( \vec{s}_{i}\cdot \vec{s}_{j} \right) \vec{e}_{ij}  
+
+with :math:`\hbar` the Planck constant (in metal units), and :math:`\vec{e}_{ij} = \frac{\vec{r}_i - \vec{r}_j}{\vert \vec{r}_i-\vec{r}_j \vert}` the unit
+vector between sites :math:`i` and :math:`j`.
 
 More details about the derivation of these torques/forces are reported in
 :ref:`(Tranchida) <Tranchida3>`.
@@ -69,14 +77,14 @@ the examples above, or in the data file or restart files read by the
 :doc:`read\_data <read_data>` or :doc:`read\_restart <read_restart>` commands, and
 set in the following order:
 
-* rc (distance units)
-* a  (energy units)
-* b  (adim parameter)
-* d  (distance units)
+* :math:`R_c` (distance units)
+* :math:`a`  (energy units)
+* :math:`b`  (adim parameter)
+* :math:`d`  (distance units)
 
-Note that rc is the radius cutoff of the considered exchange interaction,
-and a, b and d are the three coefficients performing the parameterization
-of the function J(rij) defined above.
+Note that :math:`R_c` is the radius cutoff of the considered exchange interaction,
+and :math:`a`, :math:`b` and :math:`d` are the three coefficients performing the parameterization
+of the function :math:`J(r_{ij})` defined above.
 
 None of those coefficients is optional. If not specified, the
 *spin/exchange* pair style cannot be used.
@@ -99,7 +107,9 @@ Related commands
 :doc:`atom\_style spin <atom_style>`, :doc:`pair\_coeff <pair_coeff>`,
 :doc:`pair\_eam <pair_eam>`,
 
-**Default:** none
+**Default:**
+
+none
 
 
 ----------
@@ -111,8 +121,3 @@ Related commands
 
 **(Tranchida)** Tranchida, Plimpton, Thibaudeau and Thompson,
 Journal of Computational Physics, 372, 406-425, (2018).
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/src/pair_spin_neel.rst b/doc/src/pair_spin_neel.rst
index caaf4f2326..ecdb8f30f6 100644
--- a/doc/src/pair_spin_neel.rst
+++ b/doc/src/pair_spin_neel.rst
@@ -1,13 +1,13 @@
-.. index:: pair\_style spin/neel
+.. index:: pair_style spin/neel
 
-pair\_style spin/neel command
-=============================
+pair_style spin/neel command
+============================
 
 Syntax
 """"""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    pair_style spin/neel cutoff
 
@@ -18,10 +18,10 @@ Examples
 """"""""
 
 
-.. parsed-literal::
+.. code-block:: LAMMPS
 
    pair_style spin/neel 4.0
-   pair_coeff \* \* neel 4.0 0.0048 0.234 1.168 2.6905 0.705 0.652
+   pair_coeff * * neel 4.0 0.0048 0.234 1.168 2.6905 0.705 0.652
    pair_coeff 1 2 neel 4.0 0.0048 0.234 1.168 0.0 0.0 1.0
 
 Description
@@ -30,28 +30,38 @@ Description
 Style *spin/neel* computes the Neel pair anisotropy model
 between pairs of magnetic spins:
 
-.. image:: Eqs/pair_spin_neel_interaction.jpg
-   :align: center
+.. math::
 
-where si and sj are two neighboring magnetic spins of two particles,
-rij = ri - rj is the inter-atomic distance between the two particles,
-eij = (ri - rj)/\|ri-rj\| is their normalized separation vector and g1,
-q1 and q2 are three functions defining the intensity of the dipolar
+   \mathcal{H}_{N\acute{e}el}=-\sum_{{ i,j=1,i\neq j}}^N g_1(r_{ij})\left(({\mathbf{e}}_{ij}\cdot {\mathbf{s}}_{i})({\mathbf{e}}_{ij}
+   \cdot {\mathbf{s}}_{j})-\frac{{\mathbf{s}}_{i}\cdot{\mathbf{s}}_{j}}{3} \right)
+   +q_1(r_{ij})\left( ({\mathbf{e}}_{ij}\cdot {\mathbf{s}}_{i})^2 -\frac{{\mathbf{s}}_{i}\cdot{\mathbf{s}}_{j}}{3}\right)
+   \left( ({\mathbf{e}}_{ij}\cdot {\mathbf{s}}_{i})^2 -\frac{{\mathbf{s}}_{i}\cdot{\mathbf{s}}_{j}}{3} \right)
+   + q_2(r_{ij}) \Big( ({\mathbf{e}}_{ij}\cdot {\mathbf{s}}_{i}) ({\mathbf{e}}_{ij}\cdot {\mathbf{s}}_{j})^3 + ({\mathbf{e}}_{ij}\cdot
+   {\mathbf{s}}_{j}) ({\mathbf{e}}_{ij}\cdot {\mathbf{s}}_{i})^3\Big)
+
+where :math:`\mathbf{s}_i` and :math:`\mathbf{s}_j` are two neighboring magnetic spins of two particles,
+:math:`r_{ij} = \vert \mathbf{r}_i - \mathbf{r}_j \vert` is the inter-atomic distance between the two particles,
+:math:`\mathbf{e}_{ij} = \frac{\mathbf{r}_i - \mathbf{r}_j}{\vert \mathbf{r}_i - \mathbf{r}_j\vert}` is their normalized separation vector and :math:`g_1`,
+:math:`q_1` and :math:`q_2` are three functions defining the intensity of the dipolar
 and quadrupolar contributions, with:
 
-.. image:: Eqs/pair_spin_neel_functions.jpg
-   :align: center
+.. math::
 
-With the functions g(rij) and q(rij) defined and fitted according to
+   g_1(r_{ij}) &= g(r_{ij}) + \frac{12}{35} q(r_{ij}) \\
+   q_1(r_{ij}) &= \frac{9}{5} q(r_{ij}) \\
+   q_2(r_{ij}) &= - \frac{2}{5} q(r_{ij})
+
+With the functions :math:`g(r_{ij})` and :math:`q(r_{ij})` defined and fitted according to
 the same Bethe-Slater function used to fit the exchange interaction:
 
-.. image:: Eqs/pair_spin_exchange_function.jpg
-   :align: center
+.. math::
 
-where a, b and d are the three constant coefficients defined in the
+   {J}\left( r_{ij} \right) = 4 a \left( \frac{r_{ij}}{d}  \right)^2 \left( 1 - b \left( \frac{r_{ij}}{d}  \right)^2 \right) e^{-\left( \frac{r_{ij}}{d} \right)^2 }\Theta (R_c - r_{ij})
+
+where :math:`a`, :math:`b` and :math:`d` are the three constant coefficients defined in the
 associated "pair\_coeff" command.
 
-The coefficients a, b, and d need to be fitted so that the function
+The coefficients :math:`a`, :math:`b`, and :math:`d` need to be fitted so that the function
 above matches with the values of the magneto-elastic constant of the
 materials at stake.
 
@@ -59,8 +69,8 @@ Examples and more explanations about this function and its
 parameterization are reported in :ref:`(Tranchida) <Tranchida6>`. More
 examples of parameterization will be provided in future work.
 
-From this DM interaction, each spin i will be submitted to a magnetic
-torque omega and its associated atom to a force F (for spin-lattice
+From this DM interaction, each spin :math:`i` will be submitted to a magnetic
+torque :math:`\mathbf{\omega}` and its associated atom to a force :math:`\mathbf{F}` (for spin-lattice
 calculations only).
 
 More details about the derivation of these torques/forces are reported
@@ -84,7 +94,9 @@ Related commands
 :doc:`atom\_style spin <atom_style>`, :doc:`pair\_coeff <pair_coeff>`,
 :doc:`pair\_eam <pair_eam>`,
 
-**Default:** none
+**Default:**
+
+none
 
 
 ----------
@@ -96,8 +108,3 @@ Related commands
 
 **(Tranchida)** Tranchida, Plimpton, Thibaudeau and Thompson,
 Journal of Computational Physics, 372, 406-425, (2018).
-
-
-.. _lws: http://lammps.sandia.gov
-.. _ld: Manual.html
-.. _lc: Commands_all.html
diff --git a/doc/txt/Commands.txt b/doc/txt/Commands.txt
deleted file mode 100644
index bcbbe524a8..0000000000
--- a/doc/txt/Commands.txt
+++ /dev/null
@@ -1,60 +0,0 @@
-"Previous Section"_Run_head.html - "LAMMPS WWW Site"_lws -
-"LAMMPS Documentation"_ld - "LAMMPS Commands"_lc - "Next
-Section"_Packages.html :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html#comm)
-
-:line
-
-Commands :h2
-
-These pages describe how a LAMMPS input script is formatted and the
-commands in it are used to define a LAMMPS simulation.
-
-<!-- RST
-
-.. toctree::
-   :maxdepth: 1
-
-   Commands_input
-   Commands_parse
-   Commands_structure
-   Commands_category
-
-.. toctree::
-   :maxdepth: 1
-
-   Commands_all
-   Commands_fix
-   Commands_compute
-   Commands_pair
-   Commands_bond
-   Commands_kspace
-
-.. toctree::
-   :maxdepth: 1
-
-   Commands_removed
-
-END_RST -->
-
-<!-- HTML_ONLY -->
-
-"LAMMPS input scripts"_Commands_input.html
-"Parsing rules for input scripts"_Commands_parse.html
-"Input script structure"_Commands_structure.html
-"Commands by category"_Commands_category.html :all(b)
-
-"General commands"_Commands_all.html
-"Fix commands"_Commands_fix.html
-"Compute commands"_Commands_compute.html
-"Pair commands"_Commands_pair.html
-"Bond, angle, dihedral, improper commands"_Commands_bond.html
-"KSpace solvers"_Commands_kspace.html  :all(b)
-
-"Removed commands and packages"_Commands_removed.html  :all(b)
-
-<!-- END_HTML_ONLY -->
-
diff --git a/doc/txt/Commands_all.txt b/doc/txt/Commands_all.txt
deleted file mode 100644
index ecd21e42e7..0000000000
--- a/doc/txt/Commands_all.txt
+++ /dev/null
@@ -1,139 +0,0 @@
-"Higher level section"_Commands.html - "LAMMPS WWW Site"_lws - "LAMMPS
-Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-"General commands"_Commands_all.html,
-"Fix styles"_Commands_fix.html,
-"Compute styles"_Commands_compute.html,
-"Pair styles"_Commands_pair.html,
-"Bond styles"_Commands_bond.html,
-"Angle styles"_Commands_bond.html#angle,
-"Dihedral styles"_Commands_bond.html#dihedral,
-"Improper styles"_Commands_bond.html#improper,
-"KSpace styles"_Commands_kspace.html :tb(c=3,ea=c)
-
-General commands :h3
-
-An alphabetic list of all general LAMMPS commands.
-
-"angle_coeff"_angle_coeff.html,
-"angle_style"_angle_style.html,
-"atom_modify"_atom_modify.html,
-"atom_style"_atom_style.html,
-"balance"_balance.html,
-"bond_coeff"_bond_coeff.html,
-"bond_style"_bond_style.html,
-"bond_write"_bond_write.html,
-"boundary"_boundary.html,
-"box"_box.html,
-"change_box"_change_box.html,
-"clear"_clear.html,
-"comm_modify"_comm_modify.html,
-"comm_style"_comm_style.html,
-"compute"_compute.html,
-"compute_modify"_compute_modify.html,
-"create_atoms"_create_atoms.html,
-"create_bonds"_create_bonds.html,
-"create_box"_create_box.html,
-"delete_atoms"_delete_atoms.html,
-"delete_bonds"_delete_bonds.html,
-"dielectric"_dielectric.html,
-"dihedral_coeff"_dihedral_coeff.html,
-"dihedral_style"_dihedral_style.html,
-"dimension"_dimension.html,
-"displace_atoms"_displace_atoms.html,
-"dump"_dump.html,
-"dump adios"_dump_adios.html,
-"dump image"_dump_image.html,
-"dump movie"_dump_image.html,
-"dump netcdf"_dump_netcdf.html,
-"dump netcdf/mpiio"_dump_netcdf.html,
-"dump vtk"_dump_vtk.html,
-"dump_modify"_dump_modify.html,
-"dynamical_matrix"_dynamical_matrix.html,
-"echo"_echo.html,
-"fix"_fix.html,
-"fix_modify"_fix_modify.html,
-"group"_group.html,
-"group2ndx"_group2ndx.html,
-"hyper"_hyper.html,
-"if"_if.html,
-"info"_info.html,
-"improper_coeff"_improper_coeff.html,
-"improper_style"_improper_style.html,
-"include"_include.html,
-"jump"_jump.html,
-"kim_init"_kim_commands.html,
-"kim_interactions"_kim_commands.html,
-"kim_query"_kim_commands.html,
-"kspace_modify"_kspace_modify.html,
-"kspace_style"_kspace_style.html,
-"label"_label.html,
-"lattice"_lattice.html,
-"log"_log.html,
-"mass"_mass.html,
-"message"_message.html,
-"minimize"_minimize.html,
-"min_modify"_min_modify.html,
-"min_style"_min_style.html,
-"min_style spin"_min_spin.html,
-"molecule"_molecule.html,
-"ndx2group"_group2ndx.html,
-"neb"_neb.html,
-"neb/spin"_neb_spin.html,
-"neigh_modify"_neigh_modify.html,
-"neighbor"_neighbor.html,
-"newton"_newton.html,
-"next"_next.html,
-"package"_package.html,
-"pair_coeff"_pair_coeff.html,
-"pair_modify"_pair_modify.html,
-"pair_style"_pair_style.html,
-"pair_write"_pair_write.html,
-"partition"_partition.html,
-"prd"_prd.html,
-"print"_print.html,
-"processors"_processors.html,
-"python"_python.html,
-"quit"_quit.html,
-"read_data"_read_data.html,
-"read_dump"_read_dump.html,
-"read_restart"_read_restart.html,
-"region"_region.html,
-"replicate"_replicate.html,
-"rerun"_rerun.html,
-"reset_ids"_reset_ids.html,
-"reset_timestep"_reset_timestep.html,
-"restart"_restart.html,
-"run"_run.html,
-"run_style"_run_style.html,
-"server"_server.html,
-"set"_set.html,
-"shell"_shell.html,
-"special_bonds"_special_bonds.html,
-"suffix"_suffix.html,
-"tad"_tad.html,
-"temper"_temper.html,
-"temper/grem"_temper_grem.html,
-"temper/npt"_temper_npt.html,
-"thermo"_thermo.html,
-"thermo_modify"_thermo_modify.html,
-"thermo_style"_thermo_style.html,
-"third_order"_third_order.html,
-"timer"_timer.html,
-"timestep"_timestep.html,
-"uncompute"_uncompute.html,
-"undump"_undump.html,
-"unfix"_unfix.html,
-"units"_units.html,
-"variable"_variable.html,
-"velocity"_velocity.html,
-"write_coeff"_write_coeff.html,
-"write_data"_write_data.html,
-"write_dump"_write_dump.html,
-"write_restart"_write_restart.html :tb(c=6,ea=c)
diff --git a/doc/txt/Commands_bond.txt b/doc/txt/Commands_bond.txt
deleted file mode 100644
index aecbf4cca0..0000000000
--- a/doc/txt/Commands_bond.txt
+++ /dev/null
@@ -1,148 +0,0 @@
-"Higher level section"_Commands.html - "LAMMPS WWW Site"_lws - "LAMMPS
-Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-"General commands"_Commands_all.html,
-"Fix styles"_Commands_fix.html,
-"Compute styles"_Commands_compute.html,
-"Pair styles"_Commands_pair.html,
-"Bond styles"_Commands_bond.html#bond,
-"Angle styles"_Commands_bond.html#angle,
-"Dihedral styles"_Commands_bond.html#dihedral,
-"Improper styles"_Commands_bond.html#improper,
-"KSpace styles"_Commands_kspace.html :tb(c=3,ea=c)
-
-Bond, angle, dihedral, and improper commands :h3
-
-:line
-
-Bond_style potentials :h3,link(bond)
-
-All LAMMPS "bond_style"_bond_style.html commands.  Some styles have
-accelerated versions.  This is indicated by additional letters in
-parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t =
-OPT.
-
-"none"_bond_none.html,
-"zero"_bond_zero.html,
-"hybrid"_bond_hybrid.html,
-,
-,
-,
-,
-,
-"class2 (ko)"_bond_class2.html,
-"fene (iko)"_bond_fene.html,
-"fene/expand (o)"_bond_fene_expand.html,
-"gromos (o)"_bond_gromos.html,
-"harmonic (iko)"_bond_harmonic.html,
-"harmonic/shift (o)"_bond_harmonic_shift.html,
-"harmonic/shift/cut (o)"_bond_harmonic_shift_cut.html,
-"mm3"_bond_mm3.html,
-"morse (o)"_bond_morse.html,
-"nonlinear (o)"_bond_nonlinear.html,
-"oxdna/fene"_bond_oxdna.html,
-"oxdna2/fene"_bond_oxdna.html,
-"quartic (o)"_bond_quartic.html,
-"table (o)"_bond_table.html :tb(c=4,ea=c)
-
-:line
-
-Angle_style potentials :h3,link(angle)
-
-All LAMMPS "angle_style"_angle_style.html commands.  Some styles have
-accelerated versions.  This is indicated by additional letters in
-parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t =
-OPT.
-
-"none"_angle_none.html,
-"zero"_angle_zero.html,
-"hybrid"_angle_hybrid.html,
-,
-,
-,
-,
-,
-"charmm (iko)"_angle_charmm.html,
-"class2 (ko)"_angle_class2.html,
-"class2/p6"_angle_class2.html,
-"cosine (ko)"_angle_cosine.html,
-"cosine/buck6d"_angle_cosine_buck6d.html,
-"cosine/delta (o)"_angle_cosine_delta.html,
-"cosine/periodic (o)"_angle_cosine_periodic.html,
-"cosine/shift (o)"_angle_cosine_shift.html,
-"cosine/shift/exp (o)"_angle_cosine_shift_exp.html,
-"cosine/squared (o)"_angle_cosine_squared.html,
-"cross"_angle_cross.html,
-"dipole (o)"_angle_dipole.html,
-"fourier (o)"_angle_fourier.html,
-"fourier/simple (o)"_angle_fourier_simple.html,
-"harmonic (iko)"_angle_harmonic.html,
-"mm3"_angle_mm3.html,
-"quartic (o)"_angle_quartic.html,
-"sdk (o)"_angle_sdk.html,
-"table (o)"_angle_table.html :tb(c=4,ea=c)
-
-:line
-
-Dihedral_style potentials :h3,link(dihedral)
-
-All LAMMPS "dihedral_style"_dihedral_style.html commands.  Some styles
-have accelerated versions.  This is indicated by additional letters in
-parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t =
-OPT.
-
-"none"_dihedral_none.html,
-"zero"_dihedral_zero.html,
-"hybrid"_dihedral_hybrid.html,
-,
-,
-,
-,
-,
-"charmm (iko)"_dihedral_charmm.html,
-"charmmfsw"_dihedral_charmm.html,
-"class2 (ko)"_dihedral_class2.html,
-"cosine/shift/exp (o)"_dihedral_cosine_shift_exp.html,
-"fourier (io)"_dihedral_fourier.html,
-"harmonic (iko)"_dihedral_harmonic.html,
-"helix (o)"_dihedral_helix.html,
-"multi/harmonic (o)"_dihedral_multi_harmonic.html,
-"nharmonic (o)"_dihedral_nharmonic.html,
-"opls (iko)"_dihedral_opls.html,
-"quadratic (o)"_dihedral_quadratic.html,
-"spherical"_dihedral_spherical.html,
-"table (o)"_dihedral_table.html,
-"table/cut"_dihedral_table_cut.html :tb(c=4,ea=c)
-
-:line
-
-Improper_style potentials :h3,link(improper)
-
-All LAMMPS "improper_style"_improper_style.html commands.  Some styles
-have accelerated versions.  This is indicated by additional letters in
-parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t =
-OPT.
-
-"none"_improper_none.html,
-"zero"_improper_zero.html,
-"hybrid"_improper_hybrid.html,
-,
-,
-,
-,
-,
-"class2 (ko)"_improper_class2.html,
-"cossq (o)"_improper_cossq.html,
-"cvff (io)"_improper_cvff.html,
-"distance"_improper_distance.html,
-"distharm"_improper_distharm.html,
-"fourier (o)"_improper_fourier.html,
-"harmonic (iko)"_improper_harmonic.html,
-"inversion/harmonic"_improper_inversion_harmonic.html,
-"ring (o)"_improper_ring.html,
-"sqdistharm"_improper_sqdistharm.html,
-"umbrella (o)"_improper_umbrella.html :tb(c=4,ea=c)
diff --git a/doc/txt/Commands_category.txt b/doc/txt/Commands_category.txt
deleted file mode 100644
index 14a328b227..0000000000
--- a/doc/txt/Commands_category.txt
+++ /dev/null
@@ -1,141 +0,0 @@
-"Higher level section"_Commands.html - "LAMMPS WWW Site"_lws - "LAMMPS
-Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-Commands by category :h3
-
-This page lists most of the LAMMPS commands, grouped by category.  The
-"General commands"_Commands_all.html doc page lists all general commands
-alphabetically.  Style options for entries like fix, compute, pair etc.
-have their own pages where they are listed alphabetically.
-
-Initialization:
-
-"newton"_newton.html,
-"package"_package.html,
-"processors"_processors.html,
-"suffix"_suffix.html,
-"units"_units.html :ul
-
-Setup simulation box:
-
-"boundary"_boundary.html,
-"box"_box.html,
-"change_box"_change_box.html,
-"create_box"_create_box.html,
-"dimension"_dimension.html,
-"lattice"_lattice.html,
-"region"_region.html :ul
-
-Setup atoms:
-
-"atom_modify"_atom_modify.html,
-"atom_style"_atom_style.html,
-"balance"_balance.html,
-"create_atoms"_create_atoms.html,
-"create_bonds"_create_bonds.html,
-"delete_atoms"_delete_atoms.html,
-"delete_bonds"_delete_bonds.html,
-"displace_atoms"_displace_atoms.html,
-"group"_group.html,
-"mass"_mass.html,
-"molecule"_molecule.html,
-"read_data"_read_data.html,
-"read_dump"_read_dump.html,
-"read_restart"_read_restart.html,
-"replicate"_replicate.html,
-"set"_set.html,
-"velocity"_velocity.html :ul
-
-Force fields:
-
-"angle_coeff"_angle_coeff.html,
-"angle_style"_angle_style.html,
-"bond_coeff"_bond_coeff.html,
-"bond_style"_bond_style.html,
-"bond_write"_bond_write.html,
-"dielectric"_dielectric.html,
-"dihedral_coeff"_dihedral_coeff.html,
-"dihedral_style"_dihedral_style.html,
-"improper_coeff"_improper_coeff.html,
-"improper_style"_improper_style.html,
-"kspace_modify"_kspace_modify.html,
-"kspace_style"_kspace_style.html,
-"pair_coeff"_pair_coeff.html,
-"pair_modify"_pair_modify.html,
-"pair_style"_pair_style.html,
-"pair_write"_pair_write.html,
-"special_bonds"_special_bonds.html :ul
-
-Settings:
-
-"comm_modify"_comm_modify.html,
-"comm_style"_comm_style.html,
-"info"_info.html,
-"min_modify"_min_modify.html,
-"min_style"_min_style.html,
-"neigh_modify"_neigh_modify.html,
-"neighbor"_neighbor.html,
-"partition"_partition.html,
-"reset_timestep"_reset_timestep.html,
-"run_style"_run_style.html,
-"timer"_timer.html,
-"timestep"_timestep.html :ul
-
-Operations within timestepping (fixes) and diagnostics (computes):
-
-"compute"_compute.html,
-"compute_modify"_compute_modify.html,
-"fix"_fix.html,
-"fix_modify"_fix_modify.html,
-"uncompute"_uncompute.html,
-"unfix"_unfix.html :ul
-
-Output:
-
-"dump image"_dump_image.html,
-"dump movie"_dump_image.html,
-"dump"_dump.html,
-"dump_modify"_dump_modify.html,
-"restart"_restart.html,
-"thermo"_thermo.html,
-"thermo_modify"_thermo_modify.html,
-"thermo_style"_thermo_style.html,
-"undump"_undump.html,
-"write_coeff"_write_coeff.html,
-"write_data"_write_data.html,
-"write_dump"_write_dump.html,
-"write_restart"_write_restart.html :ul
-
-Actions:
-
-"minimize"_minimize.html,
-"neb"_neb.html,
-"neb_spin"_neb_spin.html,
-"prd"_prd.html,
-"rerun"_rerun.html,
-"run"_run.html,
-"tad"_tad.html,
-"temper"_temper.html :ul
-
-Input script control:
-
-"clear"_clear.html,
-"echo"_echo.html,
-"if"_if.html,
-"include"_include.html,
-"jump"_jump.html,
-"label"_label.html,
-"log"_log.html,
-"next"_next.html,
-"print"_print.html,
-"python"_python.html,
-"quit"_quit.html,
-"shell"_shell.html,
-"variable"_variable.html :ul
-
diff --git a/doc/txt/Commands_compute.txt b/doc/txt/Commands_compute.txt
deleted file mode 100644
index 1bff982586..0000000000
--- a/doc/txt/Commands_compute.txt
+++ /dev/null
@@ -1,165 +0,0 @@
-"Higher level section"_Commands.html - "LAMMPS WWW Site"_lws - "LAMMPS
-Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-"General commands"_Commands_all.html,
-"Fix styles"_Commands_fix.html,
-"Compute styles"_Commands_compute.html,
-"Pair styles"_Commands_pair.html,
-"Bond styles"_Commands_bond.html,
-"Angle styles"_Commands_bond.html#angle,
-"Dihedral styles"_Commands_bond.html#dihedral,
-"Improper styles"_Commands_bond.html#improper,
-"KSpace styles"_Commands_kspace.html :tb(c=3,ea=c)
-
-Compute commands :h3
-
-An alphabetic list of all LAMMPS "compute"_compute.html commands.
-Some styles have accelerated versions.  This is indicated by
-additional letters in parenthesis: g = GPU, i = USER-INTEL, k =
-KOKKOS, o = USER-OMP, t = OPT.
-
-"ackland/atom"_compute_ackland_atom.html,
-"adf"_compute_adf.html,
-"aggregate/atom"_compute_cluster_atom.html,
-"angle"_compute_angle.html,
-"angle/local"_compute_angle_local.html,
-"angmom/chunk"_compute_angmom_chunk.html,
-"basal/atom"_compute_basal_atom.html,
-"body/local"_compute_body_local.html,
-"bond"_compute_bond.html,
-"bond/local"_compute_bond_local.html,
-"centro/atom"_compute_centro_atom.html,
-"chunk/atom"_compute_chunk_atom.html,
-"chunk/spread/atom"_compute_chunk_spread_atom.html,
-"cluster/atom"_compute_cluster_atom.html,
-"cna/atom"_compute_cna_atom.html,
-"cnp/atom"_compute_cnp_atom.html,
-"com"_compute_com.html,
-"com/chunk"_compute_com_chunk.html,
-"contact/atom"_compute_contact_atom.html,
-"coord/atom"_compute_coord_atom.html,
-"damage/atom"_compute_damage_atom.html,
-"dihedral"_compute_dihedral.html,
-"dihedral/local"_compute_dihedral_local.html,
-"dilatation/atom"_compute_dilatation_atom.html,
-"dipole/chunk"_compute_dipole_chunk.html,
-"displace/atom"_compute_displace_atom.html,
-"dpd"_compute_dpd.html,
-"dpd/atom"_compute_dpd_atom.html,
-"edpd/temp/atom"_compute_edpd_temp_atom.html,
-"entropy/atom"_compute_entropy_atom.html,
-"erotate/asphere"_compute_erotate_asphere.html,
-"erotate/rigid"_compute_erotate_rigid.html,
-"erotate/sphere"_compute_erotate_sphere.html,
-"erotate/sphere/atom"_compute_erotate_sphere_atom.html,
-"event/displace"_compute_event_displace.html,
-"fep"_compute_fep.html,
-"force/tally"_compute_tally.html,
-"fragment/atom"_compute_cluster_atom.html,
-"global/atom"_compute_global_atom.html,
-"group/group"_compute_group_group.html,
-"gyration"_compute_gyration.html,
-"gyration/chunk"_compute_gyration_chunk.html,
-"gyration/shape"_compute_gyration_shape.html,
-"gyration/shape/chunk"_compute_gyration_shape_chunk.html,
-"heat/flux"_compute_heat_flux.html,
-"heat/flux/tally"_compute_tally.html,
-"hexorder/atom"_compute_hexorder_atom.html,
-"hma"_compute_hma.html,
-"improper"_compute_improper.html,
-"improper/local"_compute_improper_local.html,
-"inertia/chunk"_compute_inertia_chunk.html,
-"ke"_compute_ke.html,
-"ke/atom"_compute_ke_atom.html,
-"ke/atom/eff"_compute_ke_atom_eff.html,
-"ke/eff"_compute_ke_eff.html,
-"ke/rigid"_compute_ke_rigid.html,
-"meso/e/atom"_compute_meso_e_atom.html,
-"meso/rho/atom"_compute_meso_rho_atom.html,
-"meso/t/atom"_compute_meso_t_atom.html,
-"momentum"_compute_momentum.html,
-"msd"_compute_msd.html,
-"msd/chunk"_compute_msd_chunk.html,
-"msd/nongauss"_compute_msd_nongauss.html,
-"omega/chunk"_compute_omega_chunk.html,
-"orientorder/atom"_compute_orientorder_atom.html,
-"pair"_compute_pair.html,
-"pair/local"_compute_pair_local.html,
-"pe"_compute_pe.html,
-"pe/atom"_compute_pe_atom.html,
-"pe/mol/tally"_compute_tally.html,
-"pe/tally"_compute_tally.html,
-"plasticity/atom"_compute_plasticity_atom.html,
-"pressure"_compute_pressure.html,
-"pressure/cylinder"_compute_pressure_cylinder.html,
-"pressure/uef"_compute_pressure_uef.html,
-"property/atom"_compute_property_atom.html,
-"property/chunk"_compute_property_chunk.html,
-"property/local"_compute_property_local.html,
-"ptm/atom"_compute_ptm_atom.html,
-"rdf"_compute_rdf.html,
-"reduce"_compute_reduce.html,
-"reduce/chunk"_compute_reduce_chunk.html,
-"reduce/region"_compute_reduce.html,
-"rigid/local"_compute_rigid_local.html,
-"saed"_compute_saed.html,
-"slice"_compute_slice.html,
-"smd/contact/radius"_compute_smd_contact_radius.html,
-"smd/damage"_compute_smd_damage.html,
-"smd/hourglass/error"_compute_smd_hourglass_error.html,
-"smd/internal/energy"_compute_smd_internal_energy.html,
-"smd/plastic/strain"_compute_smd_plastic_strain.html,
-"smd/plastic/strain/rate"_compute_smd_plastic_strain_rate.html,
-"smd/rho"_compute_smd_rho.html,
-"smd/tlsph/defgrad"_compute_smd_tlsph_defgrad.html,
-"smd/tlsph/dt"_compute_smd_tlsph_dt.html,
-"smd/tlsph/num/neighs"_compute_smd_tlsph_num_neighs.html,
-"smd/tlsph/shape"_compute_smd_tlsph_shape.html,
-"smd/tlsph/strain"_compute_smd_tlsph_strain.html,
-"smd/tlsph/strain/rate"_compute_smd_tlsph_strain_rate.html,
-"smd/tlsph/stress"_compute_smd_tlsph_stress.html,
-"smd/triangle/vertices"_compute_smd_triangle_vertices.html,
-"smd/ulsph/num/neighs"_compute_smd_ulsph_num_neighs.html,
-"smd/ulsph/strain"_compute_smd_ulsph_strain.html,
-"smd/ulsph/strain/rate"_compute_smd_ulsph_strain_rate.html,
-"smd/ulsph/stress"_compute_smd_ulsph_stress.html,
-"smd/vol"_compute_smd_vol.html,
-"sna/atom"_compute_sna_atom.html,
-"snad/atom"_compute_sna_atom.html,
-"snav/atom"_compute_sna_atom.html,
-"spin"_compute_spin.html,
-"stress/atom"_compute_stress_atom.html,
-"stress/mop"_compute_stress_mop.html,
-"stress/mop/profile"_compute_stress_mop.html,
-"stress/tally"_compute_tally.html,
-"tdpd/cc/atom"_compute_tdpd_cc_atom.html,
-"temp (k)"_compute_temp.html,
-"temp/asphere"_compute_temp_asphere.html,
-"temp/body"_compute_temp_body.html,
-"temp/chunk"_compute_temp_chunk.html,
-"temp/com"_compute_temp_com.html,
-"temp/cs"_compute_temp_cs.html,
-"temp/deform"_compute_temp_deform.html,
-"temp/deform/eff"_compute_temp_deform_eff.html,
-"temp/drude"_compute_temp_drude.html,
-"temp/eff"_compute_temp_eff.html,
-"temp/partial"_compute_temp_partial.html,
-"temp/profile"_compute_temp_profile.html,
-"temp/ramp"_compute_temp_ramp.html,
-"temp/region"_compute_temp_region.html,
-"temp/region/eff"_compute_temp_region_eff.html,
-"temp/rotate"_compute_temp_rotate.html,
-"temp/sphere"_compute_temp_sphere.html,
-"temp/uef"_compute_temp_uef.html,
-"ti"_compute_ti.html,
-"torque/chunk"_compute_torque_chunk.html,
-"vacf"_compute_vacf.html,
-"vcm/chunk"_compute_vcm_chunk.html,
-"voronoi/atom"_compute_voronoi_atom.html,
-"xrd"_compute_xrd.html :tb(c=6,ea=c)
diff --git a/doc/txt/Commands_fix.txt b/doc/txt/Commands_fix.txt
deleted file mode 100644
index cfd2bcf2ef..0000000000
--- a/doc/txt/Commands_fix.txt
+++ /dev/null
@@ -1,240 +0,0 @@
-"Higher level section"_Commands.html - "LAMMPS WWW Site"_lws - "LAMMPS
-Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-"General commands"_Commands_all.html,
-"Fix styles"_Commands_fix.html,
-"Compute styles"_Commands_compute.html,
-"Pair styles"_Commands_pair.html,
-"Bond styles"_Commands_bond.html,
-"Angle styles"_Commands_bond.html#angle,
-"Dihedral styles"_Commands_bond.html#dihedral,
-"Improper styles"_Commands_bond.html#improper,
-"KSpace styles"_Commands_kspace.html :tb(c=3,ea=c)
-
-Fix commands :h3
-
-An alphabetic list of all LAMMPS "fix"_fix.html commands.  Some styles
-have accelerated versions.  This is indicated by additional letters in
-parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t =
-OPT.
-
-"adapt"_fix_adapt.html,
-"adapt/fep"_fix_adapt_fep.html,
-"addforce"_fix_addforce.html,
-"addtorque"_fix_addtorque.html,
-"append/atoms"_fix_append_atoms.html,
-"atc"_fix_atc.html,
-"atom/swap"_fix_atom_swap.html,
-"ave/atom"_fix_ave_atom.html,
-"ave/chunk"_fix_ave_chunk.html,
-"ave/correlate"_fix_ave_correlate.html,
-"ave/correlate/long"_fix_ave_correlate_long.html,
-"ave/histo"_fix_ave_histo.html,
-"ave/histo/weight"_fix_ave_histo.html,
-"ave/time"_fix_ave_time.html,
-"aveforce"_fix_aveforce.html,
-"balance"_fix_balance.html,
-"bocs"_fix_bocs.html,
-"bond/break"_fix_bond_break.html,
-"bond/create"_fix_bond_create.html,
-"bond/react"_fix_bond_react.html,
-"bond/swap"_fix_bond_swap.html,
-"box/relax"_fix_box_relax.html,
-"client/md"_fix_client_md.html,
-"cmap"_fix_cmap.html,
-"colvars"_fix_colvars.html,
-"controller"_fix_controller.html,
-"deform (k)"_fix_deform.html,
-"deposit"_fix_deposit.html,
-"dpd/energy (k)"_fix_dpd_energy.html,
-"drag"_fix_drag.html,
-"drude"_fix_drude.html,
-"drude/transform/direct"_fix_drude_transform.html,
-"drude/transform/inverse"_fix_drude_transform.html,
-"dt/reset"_fix_dt_reset.html,
-"edpd/source"_fix_dpd_source.html,
-"efield"_fix_efield.html,
-"ehex"_fix_ehex.html,
-"electron/stopping"_fix_electron_stopping.html,
-"enforce2d (k)"_fix_enforce2d.html,
-"eos/cv"_fix_eos_cv.html,
-"eos/table"_fix_eos_table.html,
-"eos/table/rx (k)"_fix_eos_table_rx.html,
-"evaporate"_fix_evaporate.html,
-"external"_fix_external.html,
-"ffl"_fix_ffl.html,
-"filter/corotate"_fix_filter_corotate.html,
-"flow/gauss"_fix_flow_gauss.html,
-"freeze (k)"_fix_freeze.html,
-"gcmc"_fix_gcmc.html,
-"gld"_fix_gld.html,
-"gle"_fix_gle.html,
-"gravity (ko)"_fix_gravity.html,
-"grem"_fix_grem.html,
-"halt"_fix_halt.html,
-"heat"_fix_heat.html,
-"hyper/global"_fix_hyper_global.html,
-"hyper/local"_fix_hyper_local.html,
-"imd"_fix_imd.html,
-"indent"_fix_indent.html,
-"ipi"_fix_ipi.html,
-"langevin (k)"_fix_langevin.html,
-"langevin/drude"_fix_langevin_drude.html,
-"langevin/eff"_fix_langevin_eff.html,
-"langevin/spin"_fix_langevin_spin.html,
-"latte"_fix_latte.html,
-"lb/fluid"_fix_lb_fluid.html,
-"lb/momentum"_fix_lb_momentum.html,
-"lb/pc"_fix_lb_pc.html,
-"lb/rigid/pc/sphere"_fix_lb_rigid_pc_sphere.html,
-"lb/viscous"_fix_lb_viscous.html,
-"lineforce"_fix_lineforce.html,
-"manifoldforce"_fix_manifoldforce.html,
-"meso"_fix_meso.html,
-"meso/move"_fix_meso_move.html,
-"meso/stationary"_fix_meso_stationary.html,
-"momentum (k)"_fix_momentum.html,
-"move"_fix_move.html,
-"mscg"_fix_mscg.html,
-"msst"_fix_msst.html,
-"mvv/dpd"_fix_mvv_dpd.html,
-"mvv/edpd"_fix_mvv_dpd.html,
-"mvv/tdpd"_fix_mvv_dpd.html,
-"neb"_fix_neb.html,
-"neb_spin"_fix_neb_spin.html,
-"nph (ko)"_fix_nh.html,
-"nph/asphere (o)"_fix_nph_asphere.html,
-"nph/body"_fix_nph_body.html,
-"nph/eff"_fix_nh_eff.html,
-"nph/sphere (o)"_fix_nph_sphere.html,
-"nphug (o)"_fix_nphug.html,
-"npt (iko)"_fix_nh.html,
-"npt/asphere (o)"_fix_npt_asphere.html,
-"npt/body"_fix_npt_body.html,
-"npt/eff"_fix_nh_eff.html,
-"npt/sphere (o)"_fix_npt_sphere.html,
-"npt/uef"_fix_nh_uef.html,
-"nve (iko)"_fix_nve.html,
-"nve/asphere (i)"_fix_nve_asphere.html,
-"nve/asphere/noforce"_fix_nve_asphere_noforce.html,
-"nve/awpmd"_fix_nve_awpmd.html,
-"nve/body"_fix_nve_body.html,
-"nve/dot"_fix_nve_dot.html,
-"nve/dotc/langevin"_fix_nve_dotc_langevin.html,
-"nve/eff"_fix_nve_eff.html,
-"nve/limit"_fix_nve_limit.html,
-"nve/line"_fix_nve_line.html,
-"nve/manifold/rattle"_fix_nve_manifold_rattle.html,
-"nve/noforce"_fix_nve_noforce.html,
-"nve/sphere (ko)"_fix_nve_sphere.html,
-"nve/spin"_fix_nve_spin.html,
-"nve/tri"_fix_nve_tri.html,
-"nvk"_fix_nvk.html,
-"nvt (iko)"_fix_nh.html,
-"nvt/asphere (o)"_fix_nvt_asphere.html,
-"nvt/body"_fix_nvt_body.html,
-"nvt/eff"_fix_nh_eff.html,
-"nvt/manifold/rattle"_fix_nvt_manifold_rattle.html,
-"nvt/sllod (io)"_fix_nvt_sllod.html,
-"nvt/sllod/eff"_fix_nvt_sllod_eff.html,
-"nvt/sphere (o)"_fix_nvt_sphere.html,
-"nvt/uef"_fix_nh_uef.html,
-"oneway"_fix_oneway.html,
-"orient/bcc"_fix_orient.html,
-"orient/fcc"_fix_orient.html,
-"phonon"_fix_phonon.html,
-"pimd"_fix_pimd.html,
-"planeforce"_fix_planeforce.html,
-"plumed"_fix_plumed.html,
-"poems"_fix_poems.html,
-"pour"_fix_pour.html,
-"precession/spin"_fix_precession_spin.html,
-"press/berendsen"_fix_press_berendsen.html,
-"print"_fix_print.html,
-"property/atom (k)"_fix_property_atom.html,
-"python/invoke"_fix_python_invoke.html,
-"python/move"_fix_python_move.html,
-"qbmsst"_fix_qbmsst.html,
-"qeq/comb (o)"_fix_qeq_comb.html,
-"qeq/dynamic"_fix_qeq.html,
-"qeq/fire"_fix_qeq.html,
-"qeq/point"_fix_qeq.html,
-"qeq/reax (ko)"_fix_qeq_reax.html,
-"qeq/shielded"_fix_qeq.html,
-"qeq/slater"_fix_qeq.html,
-"qmmm"_fix_qmmm.html,
-"qtb"_fix_qtb.html,
-"rattle"_fix_shake.html,
-"reax/c/bonds (k)"_fix_reaxc_bonds.html,
-"reax/c/species (k)"_fix_reaxc_species.html,
-"recenter"_fix_recenter.html,
-"restrain"_fix_restrain.html,
-"rhok"_fix_rhok.html,
-"rigid (o)"_fix_rigid.html,
-"rigid/meso"_fix_rigid_meso.html,
-"rigid/nph (o)"_fix_rigid.html,
-"rigid/nph/small"_fix_rigid.html,
-"rigid/npt (o)"_fix_rigid.html,
-"rigid/npt/small"_fix_rigid.html,
-"rigid/nve (o)"_fix_rigid.html,
-"rigid/nve/small"_fix_rigid.html,
-"rigid/nvt (o)"_fix_rigid.html,
-"rigid/nvt/small"_fix_rigid.html,
-"rigid/small (o)"_fix_rigid.html,
-"rx (k)"_fix_rx.html,
-"saed/vtk"_fix_saed_vtk.html,
-"setforce (k)"_fix_setforce.html,
-"shake"_fix_shake.html,
-"shardlow (k)"_fix_shardlow.html,
-"smd"_fix_smd.html,
-"smd/adjust_dt"_fix_smd_adjust_dt.html,
-"smd/integrate_tlsph"_fix_smd_integrate_tlsph.html,
-"smd/integrate_ulsph"_fix_smd_integrate_ulsph.html,
-"smd/move_tri_surf"_fix_smd_move_triangulated_surface.html,
-"smd/setvel"_fix_smd_setvel.html,
-"smd/wall_surface"_fix_smd_wall_surface.html,
-"spring"_fix_spring.html,
-"spring/chunk"_fix_spring_chunk.html,
-"spring/rg"_fix_spring_rg.html,
-"spring/self"_fix_spring_self.html,
-"srd"_fix_srd.html,
-"store/force"_fix_store_force.html,
-"store/state"_fix_store_state.html,
-"tdpd/source"_fix_dpd_source.html,
-"temp/berendsen"_fix_temp_berendsen.html,
-"temp/csld"_fix_temp_csvr.html,
-"temp/csvr"_fix_temp_csvr.html,
-"temp/rescale"_fix_temp_rescale.html,
-"temp/rescale/eff"_fix_temp_rescale_eff.html,
-"tfmc"_fix_tfmc.html,
-"thermal/conductivity"_fix_thermal_conductivity.html,
-"ti/spring"_fix_ti_spring.html,
-"tmd"_fix_tmd.html,
-"ttm"_fix_ttm.html,
-"ttm/mod"_fix_ttm.html,
-"tune/kspace"_fix_tune_kspace.html,
-"vector"_fix_vector.html,
-"viscosity"_fix_viscosity.html,
-"viscous"_fix_viscous.html,
-"wall/body/polygon"_fix_wall_body_polygon.html,
-"wall/body/polyhedron"_fix_wall_body_polyhedron.html,
-"wall/colloid"_fix_wall.html,
-"wall/ees"_fix_wall_ees.html,
-"wall/gran"_fix_wall_gran.html,
-"wall/gran/region"_fix_wall_gran_region.html,
-"wall/harmonic"_fix_wall.html,
-"wall/lj1043"_fix_wall.html,
-"wall/lj126"_fix_wall.html,
-"wall/lj93 (k)"_fix_wall.html,
-"wall/morse"_fix_wall.html,
-"wall/piston"_fix_wall_piston.html,
-"wall/reflect (k)"_fix_wall_reflect.html,
-"wall/region"_fix_wall_region.html,
-"wall/region/ees"_fix_wall_ees.html,
-"wall/srd"_fix_wall_srd.html :tb(c=6,ea=c)
diff --git a/doc/txt/Commands_kspace.txt b/doc/txt/Commands_kspace.txt
deleted file mode 100644
index 02b41b9d67..0000000000
--- a/doc/txt/Commands_kspace.txt
+++ /dev/null
@@ -1,37 +0,0 @@
-"Higher level section"_Commands.html - "LAMMPS WWW Site"_lws - "LAMMPS
-Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands.html)
-
-:line
-
-"General commands"_Commands_all.html,
-"Fix styles"_Commands_fix.html,
-"Compute styles"_Commands_compute.html,
-"Pair styles"_Commands_pair.html,
-"Bond styles"_Commands_bond.html,
-"Angle styles"_Commands_bond.html#angle,
-"Dihedral styles"_Commands_bond.html#dihedral,
-"Improper styles"_Commands_bond.html#improper,
-"KSpace styles"_Commands_kspace.html :tb(c=3,ea=c)
-
-KSpace solvers :h3
-
-All LAMMPS "kspace_style"_kspace_style.html solvers.  Some styles have
-accelerated versions.  This is indicated by additional letters in
-parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t =
-OPT.
-
-"ewald (o)"_kspace_style.html,
-"ewald/disp"_kspace_style.html,
-"msm (o)"_kspace_style.html,
-"msm/cg (o)"_kspace_style.html,
-"pppm (gok)"_kspace_style.html,
-"pppm/cg (o)"_kspace_style.html,
-"pppm/disp (i)"_kspace_style.html,
-"pppm/disp/tip4p"_kspace_style.html,
-"pppm/stagger"_kspace_style.html,
-"pppm/tip4p (o)"_kspace_style.html,
-"scafacos"_kspace_style.html :tb(c=4,ea=c)
diff --git a/doc/txt/Commands_pair.txt b/doc/txt/Commands_pair.txt
deleted file mode 100644
index e6ebd21987..0000000000
--- a/doc/txt/Commands_pair.txt
+++ /dev/null
@@ -1,253 +0,0 @@
-"Higher level section"_Commands.html - "LAMMPS WWW Site"_lws - "LAMMPS
-Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-"General commands"_Commands_all.html,
-"Fix styles"_Commands_fix.html,
-"Compute styles"_Commands_compute.html,
-"Pair styles"_Commands_pair.html,
-"Bond styles"_Commands_bond.html,
-"Angle styles"_Commands_bond.html#angle,
-"Dihedral styles"_Commands_bond.html#dihedral,
-"Improper styles"_Commands_bond.html#improper,
-"KSpace styles"_Commands_kspace.html :tb(c=3,ea=c)
-
-Pair_style potentials :h3
-
-All LAMMPS "pair_style"_pair_style.html commands.  Some styles have
-accelerated versions.  This is indicated by additional letters in
-parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t =
-OPT.
-
-"none"_pair_none.html,
-"zero"_pair_zero.html,
-"hybrid (k)"_pair_hybrid.html,
-"hybrid/overlay (k)"_pair_hybrid.html,
-,
-,
-,
-,
-"adp (o)"_pair_adp.html,
-"agni (o)"_pair_agni.html,
-"airebo (io)"_pair_airebo.html,
-"airebo/morse (io)"_pair_airebo.html,
-"atm"_pair_atm.html,
-"awpmd/cut"_pair_awpmd.html,
-"beck (go)"_pair_beck.html,
-"body/nparticle"_pair_body_nparticle.html,
-"body/rounded/polygon"_pair_body_rounded_polygon.html,
-"body/rounded/polyhedron"_pair_body_rounded_polyhedron.html,
-"bop"_pair_bop.html,
-"born (go)"_pair_born.html,
-"born/coul/dsf"_pair_born.html,
-"born/coul/dsf/cs"_pair_cs.html,
-"born/coul/long (go)"_pair_born.html,
-"born/coul/long/cs (g)"_pair_cs.html,
-"born/coul/msm (o)"_pair_born.html,
-"born/coul/wolf (go)"_pair_born.html,
-"born/coul/wolf/cs (g)"_pair_cs.html,
-"brownian (o)"_pair_brownian.html,
-"brownian/poly (o)"_pair_brownian.html,
-"buck (giko)"_pair_buck.html,
-"buck/coul/cut (giko)"_pair_buck.html,
-"buck/coul/long (giko)"_pair_buck.html,
-"buck/coul/long/cs"_pair_cs.html,
-"buck/coul/msm (o)"_pair_buck.html,
-"buck/long/coul/long (o)"_pair_buck_long.html,
-"buck/mdf"_pair_mdf.html,
-"buck6d/coul/gauss/dsf"_pair_buck6d_coul_gauss.html,
-"buck6d/coul/gauss/long"_pair_buck6d_coul_gauss.html,
-"colloid (go)"_pair_colloid.html,
-"comb (o)"_pair_comb.html,
-"comb3"_pair_comb.html,
-"cosine/squared"_pair_cosine_squared.html,
-"coul/cut (gko)"_pair_coul.html,
-"coul/cut/soft (o)"_pair_fep_soft.html,
-"coul/debye (gko)"_pair_coul.html,
-"coul/diel (o)"_pair_coul_diel.html,
-"coul/dsf (gko)"_pair_coul.html,
-"coul/long (gko)"_pair_coul.html,
-"coul/long/cs (g)"_pair_cs.html,
-"coul/long/soft (o)"_pair_fep_soft.html,
-"coul/msm (o)"_pair_coul.html,
-"coul/shield"_pair_coul_shield.html,
-"coul/streitz"_pair_coul.html,
-"coul/wolf (ko)"_pair_coul.html,
-"coul/wolf/cs"_pair_cs.html,
-"dpd (gio)"_pair_dpd.html,
-"dpd/fdt"_pair_dpd_fdt.html,
-"dpd/fdt/energy (k)"_pair_dpd_fdt.html,
-"dpd/tstat (go)"_pair_dpd.html,
-"dsmc"_pair_dsmc.html,
-"e3b"_pair_e3b.html,
-"drip"_pair_drip.html,
-"eam (gikot)"_pair_eam.html,
-"eam/alloy (gikot)"_pair_eam.html,
-"eam/cd (o)"_pair_eam.html,
-"eam/cd/old (o)"_pair_eam.html,
-"eam/fs (gikot)"_pair_eam.html,
-"edip (o)"_pair_edip.html,
-"edip/multi"_pair_edip.html,
-"edpd"_pair_meso.html,
-"eff/cut"_pair_eff.html,
-"eim (o)"_pair_eim.html,
-"exp6/rx (k)"_pair_exp6_rx.html,
-"extep"_pair_extep.html,
-"gauss (go)"_pair_gauss.html,
-"gauss/cut (o)"_pair_gauss.html,
-"gayberne (gio)"_pair_gayberne.html,
-"gran/hertz/history (o)"_pair_gran.html,
-"gran/hooke (o)"_pair_gran.html,
-"gran/hooke/history (ko)"_pair_gran.html,
-"granular"_pair_granular.html,
-"gw"_pair_gw.html,
-"gw/zbl"_pair_gw.html,
-"hbond/dreiding/lj (o)"_pair_hbond_dreiding.html,
-"hbond/dreiding/morse (o)"_pair_hbond_dreiding.html,
-"ilp/graphene/hbn"_pair_ilp_graphene_hbn.html,
-"kim"_pair_kim.html,
-"kolmogorov/crespi/full"_pair_kolmogorov_crespi_full.html,
-"kolmogorov/crespi/z"_pair_kolmogorov_crespi_z.html,
-"lcbop"_pair_lcbop.html,
-"lebedeva/z"_pair_lebedeva_z.html,
-"lennard/mdf"_pair_mdf.html,
-"line/lj"_pair_line_lj.html,
-"list"_pair_list.html,
-"lj/charmm/coul/charmm (iko)"_pair_charmm.html,
-"lj/charmm/coul/charmm/implicit (ko)"_pair_charmm.html,
-"lj/charmm/coul/long (gikot)"_pair_charmm.html,
-"lj/charmm/coul/long/soft (o)"_pair_fep_soft.html,
-"lj/charmm/coul/msm (o)"_pair_charmm.html,
-"lj/charmmfsw/coul/charmmfsh"_pair_charmm.html,
-"lj/charmmfsw/coul/long"_pair_charmm.html,
-"lj/class2 (gko)"_pair_class2.html,
-"lj/class2/coul/cut (ko)"_pair_class2.html,
-"lj/class2/coul/cut/soft"_pair_fep_soft.html,
-"lj/class2/coul/long (gko)"_pair_class2.html,
-"lj/class2/coul/long/soft"_pair_fep_soft.html,
-"lj/class2/soft"_pair_fep_soft.html,
-"lj/cubic (go)"_pair_lj_cubic.html,
-"lj/cut (gikot)"_pair_lj.html,
-"lj/cut/coul/cut (gko)"_pair_lj.html,
-"lj/cut/coul/cut/soft (o)"_pair_fep_soft.html,
-"lj/cut/coul/debye (gko)"_pair_lj.html,
-"lj/cut/coul/dsf (gko)"_pair_lj.html,
-"lj/cut/coul/long (gikot)"_pair_lj.html,
-"lj/cut/coul/long/cs"_pair_cs.html,
-"lj/cut/coul/long/soft (o)"_pair_fep_soft.html,
-"lj/cut/coul/msm (go)"_pair_lj.html,
-"lj/cut/coul/wolf (o)"_pair_lj.html,
-"lj/cut/dipole/cut (go)"_pair_dipole.html,
-"lj/cut/dipole/long (g)"_pair_dipole.html,
-"lj/cut/dipole/sf (go)"_pair_dipole.html,
-"lj/cut/soft (o)"_pair_fep_soft.html,
-"lj/cut/thole/long (o)"_pair_thole.html,
-"lj/cut/tip4p/cut (o)"_pair_lj.html,
-"lj/cut/tip4p/long (ot)"_pair_lj.html,
-"lj/cut/tip4p/long/soft (o)"_pair_fep_soft.html,
-"lj/expand (gko)"_pair_lj_expand.html,
-"lj/expand/coul/long (g)"_pair_lj_expand.html,
-"lj/gromacs (gko)"_pair_gromacs.html,
-"lj/gromacs/coul/gromacs (ko)"_pair_gromacs.html,
-"lj/long/coul/long (iot)"_pair_lj_long.html,
-"lj/long/dipole/long"_pair_dipole.html,
-"lj/long/tip4p/long (o)"_pair_lj_long.html,
-"lj/mdf"_pair_mdf.html,
-"lj/sdk (gko)"_pair_sdk.html,
-"lj/sdk/coul/long (go)"_pair_sdk.html,
-"lj/sdk/coul/msm (o)"_pair_sdk.html,
-"lj/sf/dipole/sf (go)"_pair_dipole.html,
-"lj/smooth (o)"_pair_lj_smooth.html,
-"lj/smooth/linear (o)"_pair_lj_smooth_linear.html,
-"lj/switch3/coulgauss/long"_pair_lj_switch3_coulgauss.html,
-"lj96/cut (go)"_pair_lj96.html,
-"local/density"_pair_local_density.html,
-"lubricate (o)"_pair_lubricate.html,
-"lubricate/poly (o)"_pair_lubricate.html,
-"lubricateU"_pair_lubricateU.html,
-"lubricateU/poly"_pair_lubricateU.html,
-"mdpd"_pair_meso.html,
-"mdpd/rhosum"_pair_meso.html,
-"meam/c"_pair_meamc.html,
-"meam/spline (o)"_pair_meam_spline.html,
-"meam/sw/spline"_pair_meam_sw_spline.html,
-"mgpt"_pair_mgpt.html,
-"mie/cut (g)"_pair_mie.html,
-"momb"_pair_momb.html,
-"morse (gkot)"_pair_morse.html,
-"morse/smooth/linear (o)"_pair_morse.html,
-"morse/soft"_pair_fep_soft.html,
-"multi/lucy"_pair_multi_lucy.html,
-"multi/lucy/rx (k)"_pair_multi_lucy_rx.html,
-"nb3b/harmonic"_pair_nb3b_harmonic.html,
-"nm/cut (o)"_pair_nm.html,
-"nm/cut/coul/cut (o)"_pair_nm.html,
-"nm/cut/coul/long (o)"_pair_nm.html,
-"oxdna/coaxstk"_pair_oxdna.html,
-"oxdna/excv"_pair_oxdna.html,
-"oxdna/hbond"_pair_oxdna.html,
-"oxdna/stk"_pair_oxdna.html,
-"oxdna/xstk"_pair_oxdna.html,
-"oxdna2/coaxstk"_pair_oxdna2.html,
-"oxdna2/dh"_pair_oxdna2.html,
-"oxdna2/excv"_pair_oxdna2.html,
-"oxdna2/hbond"_pair_oxdna2.html,
-"oxdna2/stk"_pair_oxdna2.html,
-"oxdna2/xstk"_pair_oxdna2.html,
-"peri/eps"_pair_peri.html,
-"peri/lps (o)"_pair_peri.html,
-"peri/pmb (o)"_pair_peri.html,
-"peri/ves"_pair_peri.html,
-"polymorphic"_pair_polymorphic.html,
-"python"_pair_python.html,
-"quip"_pair_quip.html,
-"reax/c (ko)"_pair_reaxc.html,
-"rebo (io)"_pair_airebo.html,
-"resquared (go)"_pair_resquared.html,
-"sdpd/taitwater/isothermal"_pair_sdpd_taitwater_isothermal.html,
-"smd/hertz"_pair_smd_hertz.html,
-"smd/tlsph"_pair_smd_tlsph.html,
-"smd/tri_surface"_pair_smd_triangulated_surface.html,
-"smd/ulsph"_pair_smd_ulsph.html,
-"smtbq"_pair_smtbq.html,
-"snap (k)"_pair_snap.html,
-"snap (k)"_pair_snap.html,
-"soft (go)"_pair_soft.html,
-"sph/heatconduction"_pair_sph_heatconduction.html,
-"sph/idealgas"_pair_sph_idealgas.html,
-"sph/lj"_pair_sph_lj.html,
-"sph/rhosum"_pair_sph_rhosum.html,
-"sph/taitwater"_pair_sph_taitwater.html,
-"sph/taitwater/morris"_pair_sph_taitwater_morris.html,
-"spin/dipole/cut"_pair_spin_dipole.html,
-"spin/dipole/long"_pair_spin_dipole.html,
-"spin/dmi"_pair_spin_dmi.html,
-"spin/exchange"_pair_spin_exchange.html,
-"spin/magelec"_pair_spin_magelec.html,
-"spin/neel"_pair_spin_neel.html,
-"srp"_pair_srp.html,
-"sw (giko)"_pair_sw.html,
-"table (gko)"_pair_table.html,
-"table/rx (k)"_pair_table_rx.html,
-"tdpd"_pair_meso.html,
-"tersoff (giko)"_pair_tersoff.html,
-"tersoff/mod (gko)"_pair_tersoff_mod.html,
-"tersoff/mod/c (o)"_pair_tersoff_mod.html,
-"tersoff/table (o)"_pair_tersoff.html,
-"tersoff/zbl (gko)"_pair_tersoff_zbl.html,
-"thole"_pair_thole.html,
-"tip4p/cut (o)"_pair_coul.html,
-"tip4p/long (o)"_pair_coul.html,
-"tip4p/long/soft (o)"_pair_fep_soft.html,
-"tri/lj"_pair_tri_lj.html,
-"ufm (got)"_pair_ufm.html,
-"vashishta (gko)"_pair_vashishta.html,
-"vashishta/table (o)"_pair_vashishta.html,
-"yukawa (gko)"_pair_yukawa.html,
-"yukawa/colloid (go)"_pair_yukawa_colloid.html,
-"zbl (gko)"_pair_zbl.html :tb(c=4,ea=c)
diff --git a/doc/txt/Commands_removed.txt b/doc/txt/Commands_removed.txt
deleted file mode 100644
index 1eee6e45e0..0000000000
--- a/doc/txt/Commands_removed.txt
+++ /dev/null
@@ -1,66 +0,0 @@
-"Higher level section"_Commands.html - "LAMMPS WWW Site"_lws - "LAMMPS
-Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands.html)
-
-:line
-
-Removed commands and packages :h3
-
-This page lists LAMMPS commands and packages that have been removed from
-the distribution and provides suggestions for alternatives or replacements.
-LAMMPS has special dummy styles implemented, that will stop LAMMPS and
-print a suitable error message in most cases, when a style/command is used
-that has been removed.
-
-Fix ave/spatial and fix ave/spatial/sphere :h4
-
-The fixes ave/spatial and ave/spatial/sphere have been removed from LAMMPS
-since they were superseded by the more general and extensible "chunk
-infrastructure".  Here the system is partitioned in one of many possible
-ways through the "compute chunk/atom"_compute_chunk_atom.html command
-and then averaging is done using "fix ave/chunk"_fix_ave_chunk.html.
-Please refer to the "chunk HOWTO"_Howto_chunk.html section for an overview.
-
-MEAM package :h4
-
-The MEAM package has been removed since it was superseded by the
-"USER-MEAMC package"_Package_details.html#PKG-USER-MEAMC. The code in
-the USER-MEAMC package is a translation of the Fortran code of MEAM into C++,
-which removes several restrictions (e.g. there can be multiple instances
-in hybrid pair styles) and allows for some optimizations leading
-to better performance.  The new pair style "meam/c"_pair_meamc.html has
-the exact same syntax as the old "meam" pair style and thus pair style
-"meam"_pair_meamc.html is an alias to the new style and backward
-compatibility of old inputs is preserved.
-
-REAX package :h4
-
-The REAX package has been removed since it was superseded by the
-"USER-REAXC package"_Package_details.html#PKG-USER-REAXC.  The USER-REAXC
-package has been tested to yield equivalent results to the REAX package,
-offers better performance, supports OpenMP multi-threading via USER-OMP,
-and GPU and threading parallelization through KOKKOS.  The new pair styles
-are not syntax compatible with the removed reax pair style, so input
-files will have to be adapted.
-
-USER-CUDA package :h4
-
-The USER-CUDA package had been removed, since it had been unmaintained
-for a long time and had known bugs and problems.  Significant parts of
-the design were transferred to the
-"KOKKOS package"_Package_details.html#PKG-KOKKOS, which has similar
-performance characteristics on Nvidia GPUs. Both, the KOKKOS
-and the "GPU package"_Package_details.html#PKG-GPU are maintained
-and allow running LAMMPS with GPU acceleration.
-
-restart2data tool :h4
-
-The functionality of the restart2data tool has been folded into the
-LAMMPS executable directly instead of having a separate tool.  A
-combination of the commands "read_restart"_read_restart.html and
-"write_data"_write_data.html can be used to the same effect.  For added
-convenience this conversion can also be triggered by "command line
-flags"_Run_options.html
diff --git a/doc/txt/Commands_structure.txt b/doc/txt/Commands_structure.txt
deleted file mode 100644
index b5d2c7b07b..0000000000
--- a/doc/txt/Commands_structure.txt
+++ /dev/null
@@ -1,95 +0,0 @@
-"Higher level section"_Commands.html - "LAMMPS WWW Site"_lws - "LAMMPS
-Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-Input script structure :h3
-
-This page describes the structure of a typical LAMMPS input script.
-The examples directory in the LAMMPS distribution contains many sample
-input scripts; it is discussed on the "Examples"_Examples.html doc
-page.
-
-A LAMMPS input script typically has 4 parts:
-
-Initialization
-Atom definition
-Settings
-Run a simulation :ol
-
-The last 2 parts can be repeated as many times as desired.  I.e. run a
-simulation, change some settings, run some more, etc.  Each of the 4
-parts is now described in more detail.  Remember that almost all
-commands need only be used if a non-default value is desired.
-
-(1) Initialization
-
-Set parameters that need to be defined before atoms are created or
-read-in from a file.
-
-The relevant commands are "units"_units.html,
-"dimension"_dimension.html, "newton"_newton.html,
-"processors"_processors.html, "boundary"_boundary.html,
-"atom_style"_atom_style.html, "atom_modify"_atom_modify.html.
-
-If force-field parameters appear in the files that will be read, these
-commands tell LAMMPS what kinds of force fields are being used:
-"pair_style"_pair_style.html, "bond_style"_bond_style.html,
-"angle_style"_angle_style.html, "dihedral_style"_dihedral_style.html,
-"improper_style"_improper_style.html.
-
-(2) Atom definition
-
-There are 3 ways to define atoms in LAMMPS.  Read them in from a data
-or restart file via the "read_data"_read_data.html or
-"read_restart"_read_restart.html commands.  These files can contain
-molecular topology information.  Or create atoms on a lattice (with no
-molecular topology), using these commands: "lattice"_lattice.html,
-"region"_region.html, "create_box"_create_box.html,
-"create_atoms"_create_atoms.html.  The entire set of atoms can be
-duplicated to make a larger simulation using the
-"replicate"_replicate.html command.
-
-(3) Settings
-
-Once atoms and molecular topology are defined, a variety of settings
-can be specified: force field coefficients, simulation parameters,
-output options, etc.
-
-Force field coefficients are set by these commands (they can also be
-set in the read-in files): "pair_coeff"_pair_coeff.html,
-"bond_coeff"_bond_coeff.html, "angle_coeff"_angle_coeff.html,
-"dihedral_coeff"_dihedral_coeff.html,
-"improper_coeff"_improper_coeff.html,
-"kspace_style"_kspace_style.html, "dielectric"_dielectric.html,
-"special_bonds"_special_bonds.html.
-
-Various simulation parameters are set by these commands:
-"neighbor"_neighbor.html, "neigh_modify"_neigh_modify.html,
-"group"_group.html, "timestep"_timestep.html,
-"reset_timestep"_reset_timestep.html, "run_style"_run_style.html,
-"min_style"_min_style.html, "min_modify"_min_modify.html.
-
-Fixes impose a variety of boundary conditions, time integration, and
-diagnostic options.  The "fix"_fix.html command comes in many flavors.
-
-Various computations can be specified for execution during a
-simulation using the "compute"_compute.html,
-"compute_modify"_compute_modify.html, and "variable"_variable.html
-commands.
-
-Output options are set by the "thermo"_thermo.html, "dump"_dump.html,
-and "restart"_restart.html commands.
-
-(4) Run a simulation
-
-A molecular dynamics simulation is run using the "run"_run.html
-command.  Energy minimization (molecular statics) is performed using
-the "minimize"_minimize.html command.  A parallel tempering
-(replica-exchange) simulation can be run using the
-"temper"_temper.html command.
-
diff --git a/doc/txt/angle_charmm.txt b/doc/txt/angle_charmm.txt
deleted file mode 100644
index 8b0e298a43..0000000000
--- a/doc/txt/angle_charmm.txt
+++ /dev/null
@@ -1,89 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-angle_style charmm command :h3
-angle_style charmm/intel command :h3
-angle_style charmm/kk command :h3
-angle_style charmm/omp command :h3
-
-[Syntax:]
-
-angle_style charmm :pre
-
-[Examples:]
-
-angle_style charmm
-angle_coeff 1 300.0 107.0 50.0 3.0 :pre
-
-[Description:]
-
-The {charmm} angle style uses the potential
-
-:c,image(Eqs/angle_charmm.jpg)
-
-with an additional Urey_Bradley term based on the distance {r} between
-the 1st and 3rd atoms in the angle.  K, theta0, Kub, and Rub are
-coefficients defined for each angle type.
-
-See "(MacKerell)"_#angle-MacKerell for a description of the CHARMM force
-field.
-
-The following coefficients must be defined for each angle type via the
-"angle_coeff"_angle_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-K (energy/radian^2)
-theta0 (degrees)
-K_ub (energy/distance^2)
-r_ub (distance) :ul
-
-Theta0 is specified in degrees, but LAMMPS converts it to radians
-internally; hence the units of K are in energy/radian^2.
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restrictions:]
-
-This angle style can only be used if LAMMPS was built with the
-MOLECULE package.  See the "Build package"_Build_package.html doc page
-for more info.
-
-[Related commands:]
-
-"angle_coeff"_angle_coeff.html
-
-[Default:] none
-
-:line
-
-:link(angle-MacKerell)
-[(MacKerell)] MacKerell, Bashford, Bellott, Dunbrack, Evanseck, Field,
-Fischer, Gao, Guo, Ha, et al, J Phys Chem, 102, 3586 (1998).
diff --git a/doc/txt/angle_class2.txt b/doc/txt/angle_class2.txt
deleted file mode 100644
index 5a772f8fa9..0000000000
--- a/doc/txt/angle_class2.txt
+++ /dev/null
@@ -1,138 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-angle_style class2 command :h3
-angle_style class2/kk command :h3
-angle_style class2/omp command :h3
-angle_style class2/p6 command :h3
-
-[Syntax:]
-
-angle_style class2 :pre
-
-[Examples:]
-
-angle_style class2
-angle_coeff * 75.0
-angle_coeff 1 bb 10.5872 1.0119 1.5228
-angle_coeff * ba 3.6551 24.895 1.0119 1.5228 :pre
-
-[Description:]
-
-The {class2} angle style uses the potential
-
-:c,image(Eqs/angle_class2.jpg)
-
-where Ea is the angle term, Ebb is a bond-bond term, and Eba is a
-bond-angle term.  Theta0 is the equilibrium angle and r1 and r2 are
-the equilibrium bond lengths.
-
-See "(Sun)"_#angle-Sun for a description of the COMPASS class2 force field.
-
-Coefficients for the Ea, Ebb, and Eba formulas must be defined for
-each angle type via the "angle_coeff"_angle_coeff.html command as in
-the example above, or in the data file or restart files read by the
-"read_data"_read_data.html or "read_restart"_read_restart.html
-commands.
-
-These are the 4 coefficients for the Ea formula:
-
-theta0 (degrees)
-K2 (energy/radian^2)
-K3 (energy/radian^3)
-K4 (energy/radian^4) :ul
-
-Theta0 is specified in degrees, but LAMMPS converts it to radians
-internally; hence the units of the various K are in per-radian.
-
-For the Ebb formula, each line in a "angle_coeff"_angle_coeff.html
-command in the input script lists 4 coefficients, the first of which
-is "bb" to indicate they are BondBond coefficients.  In a data file,
-these coefficients should be listed under a "BondBond Coeffs" heading
-and you must leave out the "bb", i.e. only list 3 coefficients after
-the angle type.
-
-bb
-M (energy/distance^2)
-r1 (distance)
-r2 (distance) :ul
-
-For the Eba formula, each line in a "angle_coeff"_angle_coeff.html
-command in the input script lists 5 coefficients, the first of which
-is "ba" to indicate they are BondAngle coefficients.  In a data file,
-these coefficients should be listed under a "BondAngle Coeffs" heading
-and you must leave out the "ba", i.e. only list 4 coefficients after
-the angle type.
-
-ba
-N1 (energy/distance^2)
-N2 (energy/distance^2)
-r1 (distance)
-r2 (distance) :ul
-
-The theta0 value in the Eba formula is not specified, since it is the
-same value from the Ea formula.
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-The {class2/p6} angle style uses the {class2} potential expanded to sixth order:
-
-:c,image(Eqs/angle_class2_p6.jpg)
-
-In this expanded term 6 coefficients for the Ea formula need to be set:
-
-theta0 (degrees)
-K2 (energy/radian^2)
-K3 (energy/radian^3)
-K4 (energy/radian^4)
-K5 (energy/radian^5)
-K6 (energy/radian^6) :ul
-
-The bond-bond and bond-angle terms remain unchanged.
-
-:line
-
-[Restrictions:]
-
-This angle style can only be used if LAMMPS was built with the CLASS2
-package.  For the {class2/p6} style LAMMPS needs to be built with the
-USER-MOFFF package.  See the "Build package"_Build_package.html doc
-page for more info.
-
-[Related commands:]
-
-"angle_coeff"_angle_coeff.html
-
-[Default:] none
-
-:line
-
-:link(angle-Sun)
-[(Sun)] Sun, J Phys Chem B 102, 7338-7364 (1998).
diff --git a/doc/txt/angle_coeff.txt b/doc/txt/angle_coeff.txt
deleted file mode 100644
index 5dc9c13381..0000000000
--- a/doc/txt/angle_coeff.txt
+++ /dev/null
@@ -1,87 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-angle_coeff command :h3
-
-[Syntax:]
-
-angle_coeff N args :pre
-
-N = angle type (see asterisk form below)
-args = coefficients for one or more angle types :ul
-
-[Examples:]
-
-angle_coeff 1 300.0 107.0
-angle_coeff * 5.0
-angle_coeff 2*10 5.0 :pre
-
-[Description:]
-
-Specify the angle force field coefficients for one or more angle types.
-The number and meaning of the coefficients depends on the angle style.
-Angle coefficients can also be set in the data file read by the
-"read_data"_read_data.html command or in a restart file.
-
-N can be specified in one of two ways.  An explicit numeric value can
-be used, as in the 1st example above.  Or a wild-card asterisk can be
-used to set the coefficients for multiple angle types.  This takes the
-form "*" or "*n" or "n*" or "m*n".  If N = the number of angle types,
-then an asterisk with no numeric values means all types from 1 to N.  A
-leading asterisk means all types from 1 to n (inclusive).  A trailing
-asterisk means all types from n to N (inclusive).  A middle asterisk
-means all types from m to n (inclusive).
-
-Note that using an angle_coeff command can override a previous setting
-for the same angle type.  For example, these commands set the coeffs
-for all angle types, then overwrite the coeffs for just angle type 2:
-
-angle_coeff * 200.0 107.0 1.2
-angle_coeff 2 50.0 107.0 :pre
-
-A line in a data file that specifies angle coefficients uses the exact
-same format as the arguments of the angle_coeff command in an input
-script, except that wild-card asterisks should not be used since
-coefficients for all N types must be listed in the file.  For example,
-under the "Angle Coeffs" section of a data file, the line that
-corresponds to the 1st example above would be listed as
-
-1 300.0 107.0 :pre
-
-The "angle_style class2"_angle_class2.html is an exception to this
-rule, in that an additional argument is used in the input script to
-allow specification of the cross-term coefficients.   See its
-doc page for details.
-
-:line
-
-The list of all angle styles defined in LAMMPS is given on the
-"angle_style"_angle_style.html doc page.  They are also listed in more
-compact form on the "Commands angle"_Commands_bond.html#angle doc
-page.
-
-On either of those pages, click on the style to display the formula it
-computes and its coefficients as specified by the associated
-angle_coeff command.
-
-:line
-
-[Restrictions:]
-
-This command must come after the simulation box is defined by a
-"read_data"_read_data.html, "read_restart"_read_restart.html, or
-"create_box"_create_box.html command.
-
-An angle style must be defined before any angle coefficients are
-set, either in the input script or in a data file.
-
-[Related commands:]
-
-"angle_style"_angle_style.html
-
-[Default:] none
diff --git a/doc/txt/angle_cosine.txt b/doc/txt/angle_cosine.txt
deleted file mode 100644
index 93fed32c38..0000000000
--- a/doc/txt/angle_cosine.txt
+++ /dev/null
@@ -1,71 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-angle_style cosine command :h3
-angle_style cosine/omp command :h3
-angle_style cosine/kk command :h3
-
-[Syntax:]
-
-angle_style cosine :pre
-
-[Examples:]
-
-angle_style cosine
-angle_coeff * 75.0 :pre
-
-[Description:]
-
-The {cosine} angle style uses the potential
-
-:c,image(Eqs/angle_cosine.jpg)
-
-where K is defined for each angle type.
-
-The following coefficients must be defined for each angle type via the
-"angle_coeff"_angle_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-K (energy) :ul
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restrictions:]
-
-This angle style can only be used if LAMMPS was built with the
-MOLECULE package.  See the "Build package"_Build_package.html doc page
-for more info.
-
-[Related commands:]
-
-"angle_coeff"_angle_coeff.html
-
-[Default:] none
diff --git a/doc/txt/angle_cosine_buck6d.txt b/doc/txt/angle_cosine_buck6d.txt
deleted file mode 100644
index 1ce3556ea6..0000000000
--- a/doc/txt/angle_cosine_buck6d.txt
+++ /dev/null
@@ -1,65 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-angle_style cosine/buck6d command :h3
-
-[Syntax:]
-
-angle_style cosine/buck6d :pre
-
-[Examples:]
-
-angle_style cosine/buck6d
-angle_coeff 1  cosine/buck6d  1.978350  4  180.000000 :pre
-
-[Description:]
-
-The {cosine/buck6d} angle style uses the potential
-
-:c,image(Eqs/angle_cosine_buck6d.jpg)
-
-where K is the energy constant, n is the periodic multiplicity and
-Theta0 is the equilibrium angle.
-
-The coefficients must be defined for each angle type via the
-"angle_coeff"_angle_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands in the following order:
-
-K (energy)
-n
-Theta0 (degrees) :ul
-
-Theta0 is specified in degrees, but LAMMPS converts it to radians
-internally.
-
-Additional to the cosine term the {cosine/buck6d} angle style computes
-the short range (vdW) interaction belonging to the
-"pair_buck6d"_pair_buck6d_coul_gauss.html between the end atoms of the
-angle.  For this reason this angle style only works in combination
-with the "pair_buck6d"_pair_buck6d_coul_gauss.html styles and needs
-the "special_bonds"_special_bonds.html 1-3 interactions to be weighted
-0.0 to prevent double counting.
-
-:line
-
-[Restrictions:]
-
-{cosine/buck6d} can only be used in combination with the
-"pair_buck6d"_pair_buck6d_coul_gauss.html style and with a
-"special_bonds"_special_bonds.html 0.0 weighting of 1-3 interactions.
-
-This angle style can only be used if LAMMPS was built with the
-USER-MOFFF package.  See the "Build package"_Build_package.html doc
-page for more info.
-
-[Related commands:]
-
-"angle_coeff"_angle_coeff.html
-
-[Default:] none
diff --git a/doc/txt/angle_cosine_delta.txt b/doc/txt/angle_cosine_delta.txt
deleted file mode 100644
index 1532e39b31..0000000000
--- a/doc/txt/angle_cosine_delta.txt
+++ /dev/null
@@ -1,76 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-angle_style cosine/delta command :h3
-angle_style cosine/delta/omp command :h3
-
-[Syntax:]
-
-angle_style cosine/delta :pre
-
-[Examples:]
-
-angle_style cosine/delta
-angle_coeff 2*4 75.0 100.0 :pre
-
-[Description:]
-
-The {cosine/delta} angle style uses the potential
-
-:c,image(Eqs/angle_cosine_delta.jpg)
-
-where theta0 is the equilibrium value of the angle, and K is a
-prefactor.  Note that the usual 1/2 factor is included in K.
-
-The following coefficients must be defined for each angle type via the
-"angle_coeff"_angle_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-K (energy)
-theta0 (degrees) :ul
-
-Theta0 is specified in degrees, but LAMMPS converts it to radians
-internally.
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restrictions:]
-
-This angle style can only be used if LAMMPS was built with the
-MOLECULE package.  See the "Build package"_Build_package.html doc page
-for more info.
-
-[Related commands:]
-
-"angle_coeff"_angle_coeff.html, "angle_style
-cosine/squared"_angle_cosine_squared.html
-
-[Default:] none
diff --git a/doc/txt/angle_cosine_periodic.txt b/doc/txt/angle_cosine_periodic.txt
deleted file mode 100644
index 039144797f..0000000000
--- a/doc/txt/angle_cosine_periodic.txt
+++ /dev/null
@@ -1,89 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-angle_style cosine/periodic command :h3
-angle_style cosine/periodic/omp command :h3
-
-[Syntax:]
-
-angle_style cosine/periodic :pre
-
-[Examples:]
-
-angle_style cosine/periodic
-angle_coeff * 75.0 1 6 :pre
-
-[Description:]
-
-The {cosine/periodic} angle style uses the following potential, which
-is commonly used in the "DREIDING"_Howto_bioFF.html force field,
-particularly for organometallic systems where {n} = 4 might be used
-for an octahedral complex and {n} = 3 might be used for a trigonal
-center:
-
-:c,image(Eqs/angle_cosine_periodic.jpg)
-
-where C, B and n are coefficients defined for each angle type.
-
-See "(Mayo)"_#cosine-Mayo for a description of the DREIDING force field
-
-The following coefficients must be defined for each angle type via the
-"angle_coeff"_angle_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-C (energy)
-B = 1 or -1
-n = 1, 2, 3, 4, 5 or 6 for periodicity :ul
-
-Note that the prefactor C is specified and not the overall force
-constant K = C / n^2.  When B = 1, it leads to a minimum for the
-linear geometry.  When B = -1, it leads to a maximum for the linear
-geometry.
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restrictions:]
-
-This angle style can only be used if LAMMPS was built with the
-MOLECULE package.  See the "Build package"_Build_package.html doc page
-for more info.
-
-[Related commands:]
-
-"angle_coeff"_angle_coeff.html
-
-[Default:] none
-
-:line
-
-:link(cosine-Mayo)
-[(Mayo)] Mayo, Olfason, Goddard III, J Phys Chem, 94, 8897-8909
-(1990).
diff --git a/doc/txt/angle_cosine_shift.txt b/doc/txt/angle_cosine_shift.txt
deleted file mode 100644
index 65dc0924e5..0000000000
--- a/doc/txt/angle_cosine_shift.txt
+++ /dev/null
@@ -1,73 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-angle_style cosine/shift command :h3
-angle_style cosine/shift/omp command :h3
-
-[Syntax:]
-
-angle_style cosine/shift :pre
-
-[Examples:]
-
-angle_style cosine/shift
-angle_coeff * 10.0 45.0 :pre
-
-[Description:]
-
-The {cosine/shift} angle style uses the potential
-
-:c,image(Eqs/angle_cosine_shift.jpg)
-
-where theta0 is the equilibrium angle. The potential is bounded
-between -Umin and zero. In the neighborhood of the minimum E=- Umin +
-Umin/4(theta-theta0)^2 hence the spring constant is umin/2.
-
-The following coefficients must be defined for each angle type via the
-"angle_coeff"_angle_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-umin (energy)
-theta (angle) :ul
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restrictions:]
-
-This angle style can only be used if LAMMPS was built with the
-USER-MISC package.
-
-[Related commands:]
-
-"angle_coeff"_angle_coeff.html,
-"angle_cosine_shift_exp"_angle_cosine_shift_exp.html
-
-[Default:] none
diff --git a/doc/txt/angle_cosine_shift_exp.txt b/doc/txt/angle_cosine_shift_exp.txt
deleted file mode 100644
index 3091e83885..0000000000
--- a/doc/txt/angle_cosine_shift_exp.txt
+++ /dev/null
@@ -1,87 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-angle_style cosine/shift/exp command :h3
-angle_style cosine/shift/exp/omp command :h3
-
-[Syntax:]
-
-angle_style cosine/shift/exp :pre
-
-[Examples:]
-
-angle_style cosine/shift/exp
-angle_coeff * 10.0 45.0 2.0 :pre
-
-[Description:]
-
-The {cosine/shift/exp} angle style uses the potential
-
-:c,image(Eqs/angle_cosine_shift_exp.jpg)
-
-where Umin, theta, and a are defined for each angle type.
-
-The potential is bounded between \[-Umin:0\] and the minimum is
-located at the angle theta0. The a parameter can be both positive or
-negative and is used to control the spring constant at the
-equilibrium.
-
-The spring constant is given by k = A exp(A) Umin / \[2 (Exp(a)-1)\].
-For a > 3, k/Umin = a/2 to better than 5% relative error. For negative
-values of the a parameter, the spring constant is essentially zero,
-and anharmonic terms takes over. The potential is furthermore well
-behaved in the limit a -> 0, where it has been implemented to linear
-order in a for a < 0.001. In this limit the potential reduces to the
-cosineshifted potential.
-
-The following coefficients must be defined for each angle type via the
-"angle_coeff"_angle_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-umin (energy)
-theta (angle)
-A (real number) :ul
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restrictions:]
-
-This angle style can only be used if LAMMPS was built with the
-USER-MISC package.  See the "Build package"_Build_package.html doc
-page for more info.
-
-[Related commands:]
-
-"angle_coeff"_angle_coeff.html,
-"angle_cosine_shift"_angle_cosine_shift.html,
-"dihedral_cosine_shift_exp"_dihedral_cosine_shift_exp.html
-
-[Default:] none
diff --git a/doc/txt/angle_cosine_squared.txt b/doc/txt/angle_cosine_squared.txt
deleted file mode 100644
index 07fcb1ceb4..0000000000
--- a/doc/txt/angle_cosine_squared.txt
+++ /dev/null
@@ -1,75 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-angle_style cosine/squared command :h3
-angle_style cosine/squared/omp command :h3
-
-[Syntax:]
-
-angle_style cosine/squared :pre
-
-[Examples:]
-
-angle_style cosine/squared
-angle_coeff 2*4 75.0 100.0 :pre
-
-[Description:]
-
-The {cosine/squared} angle style uses the potential
-
-:c,image(Eqs/angle_cosine_squared.jpg)
-
-where theta0 is the equilibrium value of the angle, and K is a
-prefactor.  Note that the usual 1/2 factor is included in K.
-
-The following coefficients must be defined for each angle type via the
-"angle_coeff"_angle_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-K (energy)
-theta0 (degrees) :ul
-
-Theta0 is specified in degrees, but LAMMPS converts it to radians
-internally.
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restrictions:]
-
-This angle style can only be used if LAMMPS was built with the
-MOLECULE package.  See the "Build package"_Build_package.html doc page
-for more info.
-
-[Related commands:]
-
-"angle_coeff"_angle_coeff.html
-
-[Default:] none
diff --git a/doc/txt/angle_cross.txt b/doc/txt/angle_cross.txt
deleted file mode 100644
index d9d83ed4b6..0000000000
--- a/doc/txt/angle_cross.txt
+++ /dev/null
@@ -1,62 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-angle_style cross command :h3
-
-[Syntax:]
-
-angle_style cross :pre
-
-[Examples:]
-
-angle_style cross
-angle_coeff 1 200.0 100.0 100.0 1.25 1.25 107.0 :pre
-
-[Description:]
-
-The {cross} angle style uses a potential that couples the bond stretches of
-a bend with the angle stretch of that bend:
-
-:c,image(Eqs/angle_cross.jpg)
-
-where r12,0 is the rest value of the bond length between atom 1 and 2,
-r32,0 is the rest value of the bond length between atom 2 and 2,
-and theta0 is the rest value of the angle. KSS is the force constant of
-the bond stretch-bond stretch term and KBS0 and KBS1 are the force constants
-of the bond stretch-angle stretch terms.
-
-The following coefficients must be defined for each angle type via the
-"angle_coeff"_angle_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-KSS (energy/distance^2)
-KBS0 (energy/distance/rad)
-KBS1 (energy/distance/rad)
-r12,0 (distance)
-r32,0 (distance)
-theta0 (degrees) :ul
-
-Theta0 is specified in degrees, but LAMMPS converts it to radians
-internally; hence the units of KBS0 and KBS1 are in energy/distance/radian.
-
-[Restrictions:]
-
-This angle style can only be used if LAMMPS was built with the
-USER_YAFF package.  See the "Build package"_Build_package.html doc
-page for more info.
-
-[Related commands:]
-
-"angle_coeff"_angle_coeff.html
-
-[Default:] none
-
-:line
-
-
diff --git a/doc/txt/angle_dipole.txt b/doc/txt/angle_dipole.txt
deleted file mode 100644
index cdb11972ec..0000000000
--- a/doc/txt/angle_dipole.txt
+++ /dev/null
@@ -1,126 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-angle_style dipole command :h3
-angle_style dipole/omp command :h3
-
-[Syntax:]
-
-angle_style dipole :pre
-
-[Examples:]
-
-angle_style dipole
-angle_coeff 6 2.1 180.0 :pre
-
-[Description:]
-
-The {dipole} angle style is used to control the orientation of a dipolar
-atom within a molecule "(Orsi)"_#Orsi. Specifically, the {dipole} angle
-style restrains the orientation of a point dipole mu_j (embedded in atom
-'j') with respect to a reference (bond) vector r_ij = r_i - r_j, where 'i'
-is another atom of the same molecule (typically, 'i' and 'j' are also
-covalently bonded).
-
-It is convenient to define an angle gamma between the 'free' vector mu_j
-and the reference (bond) vector r_ij:
-
-:c,image(Eqs/angle_dipole_gamma.jpg)
-
-The {dipole} angle style uses the potential:
-
-:c,image(Eqs/angle_dipole_potential.jpg)
-
-where K is a rigidity constant and gamma0 is an equilibrium (reference)
-angle.
-
-The torque on the dipole can be obtained by differentiating the
-potential using the 'chain rule' as in appendix C.3 of
-"(Allen)"_#Allen1:
-
-:c,image(Eqs/angle_dipole_torque.jpg)
-
-Example: if gamma0 is set to 0 degrees, the torque generated by
-the potential will tend to align the dipole along the reference
-direction defined by the (bond) vector r_ij (in other words, mu_j is
-restrained to point towards atom 'i').
-
-The dipolar torque T_j must be counterbalanced in order to conserve
-the local angular momentum. This is achieved via an additional force
-couple generating a torque equivalent to the opposite of T_j:
-
-:c,image(Eqs/angle_dipole_couple.jpg)
-
-where F_i and F_j are applied on atoms i and j, respectively.
-
-The following coefficients must be defined for each angle type via the
-"angle_coeff"_angle_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-K (energy)
-gamma0 (degrees) :ul
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-[Restrictions:]
-
-This angle style can only be used if LAMMPS was built with the
-USER-MISC package.  See the "Build package"_Build_package.html doc
-page for more info.
-
-NOTE: In the "Angles" section of the data file, the atom ID 'j'
-defining the direction of the dipole vector to restrain must come
-before the atom ID of the reference atom 'i'. A third atom ID 'k' must
-also be provided to comply with the requirement of a valid angle
-definition. This atom ID k should be chosen to be that of an atom
-bonded to atom 'i' to avoid errors with "lost angle atoms" when running
-in parallel. Since the LAMMPS code checks for valid angle definitions,
-cannot use the same atom ID of either 'i' or 'j' (this was allowed
-and recommended with older LAMMPS versions).
-
-The "newton" command for intramolecular interactions must be "on"
-(which is the default except when using some accelerator packages).
-
-This angle style should not be used with SHAKE.
-
-[Related commands:]
-
-"angle_coeff"_angle_coeff.html, "angle_hybrid"_angle_hybrid.html
-
-[Default:] none
-
-:line
-
-:link(Orsi)
-[(Orsi)] Orsi & Essex, The ELBA force field for coarse-grain modeling of
-lipid membranes, PloS ONE 6(12): e28637, 2011.
-
-:link(Allen1)
-[(Allen)] Allen & Tildesley, Computer Simulation of Liquids,
-Clarendon Press, Oxford, 1987.
diff --git a/doc/txt/angle_fourier.txt b/doc/txt/angle_fourier.txt
deleted file mode 100644
index 7dc9975793..0000000000
--- a/doc/txt/angle_fourier.txt
+++ /dev/null
@@ -1,71 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-angle_style fourier command :h3
-angle_style fourier/omp command :h3
-
-[Syntax:]
-
-angle_style fourier :pre
-
-[Examples:]
-
-angle_style fourier
-angle_coeff 75.0 1.0 1.0 1.0
-
-[Description:]
-
-The {fourier} angle style uses the potential
-
-:c,image(Eqs/angle_fourier.jpg)
-
-The following coefficients must be defined for each angle type via the
-"angle_coeff"_angle_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-K (energy)
-C0 (real)
-C1 (real)
-C2 (real) :ul
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restrictions:]
-
-This angle style can only be used if LAMMPS was built with the
-USER_MISC package.  See the "Build package"_Build_package.html doc
-page for more info.
-
-[Related commands:]
-
-"angle_coeff"_angle_coeff.html
-
-[Default:] none
diff --git a/doc/txt/angle_fourier_simple.txt b/doc/txt/angle_fourier_simple.txt
deleted file mode 100644
index ae5d308353..0000000000
--- a/doc/txt/angle_fourier_simple.txt
+++ /dev/null
@@ -1,70 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-angle_style fourier/simple command :h3
-angle_style fourier/simple/omp command :h3
-
-[Syntax:]
-
-angle_style fourier/simple :pre
-
-[Examples:]
-
-angle_style fourier/simple
-angle_coeff 100.0 -1.0 1.0
-
-[Description:]
-
-The {fourier/simple} angle style uses the potential
-
-:c,image(Eqs/angle_fourier_simple.jpg)
-
-The following coefficients must be defined for each angle type via the
-"angle_coeff"_angle_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-K (energy)
-c (real)
-n (real) :ul
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restrictions:]
-
-This angle style can only be used if LAMMPS was built with the
-USER_MISC package.  See the "Build package"_Build_package.html doc
-page for more info.
-
-[Related commands:]
-
-"angle_coeff"_angle_coeff.html
-
-[Default:] none
diff --git a/doc/txt/angle_harmonic.txt b/doc/txt/angle_harmonic.txt
deleted file mode 100644
index b632f68478..0000000000
--- a/doc/txt/angle_harmonic.txt
+++ /dev/null
@@ -1,77 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-angle_style harmonic command :h3
-angle_style harmonic/intel command :h3
-angle_style harmonic/kk command :h3
-angle_style harmonic/omp command :h3
-
-[Syntax:]
-
-angle_style harmonic :pre
-
-[Examples:]
-
-angle_style harmonic
-angle_coeff 1 300.0 107.0 :pre
-
-[Description:]
-
-The {harmonic} angle style uses the potential
-
-:c,image(Eqs/angle_harmonic.jpg)
-
-where theta0 is the equilibrium value of the angle, and K is a
-prefactor.  Note that the usual 1/2 factor is included in K.
-
-The following coefficients must be defined for each angle type via the
-"angle_coeff"_angle_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-K (energy/radian^2)
-theta0 (degrees) :ul
-
-Theta0 is specified in degrees, but LAMMPS converts it to radians
-internally; hence the units of K are in energy/radian^2.
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restrictions:]
-
-This angle style can only be used if LAMMPS was built with the
-MOLECULE package.  See the "Build package"_Build_package.html doc
-page for more info.
-
-[Related commands:]
-
-"angle_coeff"_angle_coeff.html
-
-[Default:] none
diff --git a/doc/txt/angle_hybrid.txt b/doc/txt/angle_hybrid.txt
deleted file mode 100644
index 0046c161be..0000000000
--- a/doc/txt/angle_hybrid.txt
+++ /dev/null
@@ -1,91 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-angle_style hybrid command :h3
-
-[Syntax:]
-
-angle_style hybrid style1 style2 ... :pre
-
-style1,style2 = list of one or more angle styles :ul
-
-[Examples:]
-
-angle_style hybrid harmonic cosine
-angle_coeff 1 harmonic 80.0 30.0
-angle_coeff 2* cosine 50.0  :pre
-
-[Description:]
-
-The {hybrid} style enables the use of multiple angle styles in one
-simulation.  An angle style is assigned to each angle type.  For
-example, angles in a polymer flow (of angle type 1) could be computed
-with a {harmonic} potential and angles in the wall boundary (of angle
-type 2) could be computed with a {cosine} potential.  The assignment
-of angle type to style is made via the "angle_coeff"_angle_coeff.html
-command or in the data file.
-
-In the angle_coeff commands, the name of an angle style must be added
-after the angle type, with the remaining coefficients being those
-appropriate to that style.  In the example above, the 2 angle_coeff
-commands set angles of angle type 1 to be computed with a {harmonic}
-potential with coefficients 80.0, 30.0 for K, theta0.  All other angle
-types (2-N) are computed with a {cosine} potential with coefficient
-50.0 for K.
-
-If angle coefficients are specified in the data file read via the
-"read_data"_read_data.html command, then the same rule applies.
-E.g. "harmonic" or "cosine", must be added after the angle type, for each
-line in the "Angle Coeffs" section, e.g.
-
-Angle Coeffs :pre
-
-1 harmonic 80.0 30.0
-2 cosine 50.0
-... :pre
-
-If {class2} is one of the angle hybrid styles, the same rule holds for
-specifying additional BondBond (and BondAngle) coefficients either via
-the input script or in the data file.  I.e. {class2} must be added to
-each line after the angle type.  For lines in the BondBond (or
-BondAngle) section of the data file for angle types that are not
-{class2}, you must use an angle style of {skip} as a placeholder, e.g.
-
-BondBond Coeffs :pre
-
-1 skip
-2 class2 3.6512 1.0119 1.0119
-... :pre
-
-Note that it is not necessary to use the angle style {skip} in the
-input script, since BondBond (or BondAngle) coefficients need not be
-specified at all for angle types that are not {class2}.
-
-An angle style of {none} with no additional coefficients can be used
-in place of an angle style, either in a input script angle_coeff
-command or in the data file, if you desire to turn off interactions
-for specific angle types.
-
-:line
-
-[Restrictions:]
-
-This angle style can only be used if LAMMPS was built with the
-MOLECULE package.  See the "Build package"_Build_package.html doc page
-for more info.
-
-Unlike other angle styles, the hybrid angle style does not store angle
-coefficient info for individual sub-styles in a "binary restart
-files"_restart.html.  Thus when restarting a simulation from a restart
-file, you need to re-specify angle_coeff commands.
-
-[Related commands:]
-
-"angle_coeff"_angle_coeff.html
-
-[Default:] none
diff --git a/doc/txt/angle_mm3.txt b/doc/txt/angle_mm3.txt
deleted file mode 100644
index 9ae032c4ff..0000000000
--- a/doc/txt/angle_mm3.txt
+++ /dev/null
@@ -1,55 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-angle_style mm3 command :h3
-
-[Syntax:]
-
-angle_style mm3 :pre
-
-[Examples:]
-
-angle_style mm3
-angle_coeff 1 100.0 107.0 :pre
-
-[Description:]
-
-The {mm3} angle style uses the potential that is anharmonic in the angle
-as defined in "(Allinger)"_#mm3-allinger1989
-
-:c,image(Eqs/angle_mm3.jpg)
-
-where theta0 is the equilibrium value of the angle, and K is a
-prefactor. The anharmonic prefactors have units deg^(-n), for example
--0.014 deg^(-1), 5.6(10)^(-5) deg^(-2), ...
-
-The following coefficients must be defined for each angle type via the
-"angle_coeff"_angle_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-K (energy/radian^2)
-theta0 (degrees) :ul
-
-Theta0 is specified in degrees, but LAMMPS converts it to radians
-internally; hence the units of K are in energy/radian^2.
-
-[Restrictions:]
-
-This angle style can only be used if LAMMPS was built with the
-USER_YAFF package.  See the "Build package"_Build_package.html doc
-page for more info.
-
-[Related commands:]
-
-"angle_coeff"_angle_coeff.html
-
-[Default:] none
-
-:line
-
diff --git a/doc/txt/angle_none.txt b/doc/txt/angle_none.txt
deleted file mode 100644
index 1eca5cbbec..0000000000
--- a/doc/txt/angle_none.txt
+++ /dev/null
@@ -1,34 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-angle_style none command :h3
-
-[Syntax:]
-
-angle_style none :pre
-
-[Examples:]
-
-angle_style none :pre
-
-[Description:]
-
-Using an angle style of none means angle forces and energies are not
-computed, even if triplets of angle atoms were listed in the data file
-read by the "read_data"_read_data.html command.
-
-See the "angle_style zero"_angle_zero.html command for a way to
-calculate angle statistics, but compute no angle interactions.
-
-[Restrictions:] none
-
-[Related commands:]
-
-"angle_style zero"_angle_zero.html
-
-[Default:] none
diff --git a/doc/txt/angle_quartic.txt b/doc/txt/angle_quartic.txt
deleted file mode 100644
index b20a06eb8d..0000000000
--- a/doc/txt/angle_quartic.txt
+++ /dev/null
@@ -1,77 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-angle_style quartic command :h3
-angle_style quartic/omp command :h3
-
-[Syntax:]
-
-angle_style quartic :pre
-
-[Examples:]
-
-angle_style quartic
-angle_coeff 1 129.1948 56.8726 -25.9442 -14.2221 :pre
-
-[Description:]
-
-The {quartic} angle style uses the potential
-
-:c,image(Eqs/angle_quartic.jpg)
-
-where theta0 is the equilibrium value of the angle, and K is a
-prefactor.  Note that the usual 1/2 factor is included in K.
-
-The following coefficients must be defined for each angle type via the
-"angle_coeff"_angle_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-theta0 (degrees)
-K2 (energy/radian^2)
-K3 (energy/radian^3)
-K4 (energy/radian^4) :ul
-
-Theta0 is specified in degrees, but LAMMPS converts it to radians
-internally; hence the units of K are in energy/radian^2.
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restrictions:]
-
-This angle style can only be used if LAMMPS was built with the
-USER_MISC package.  See the "Build package"_Build_package.html doc
-page for more info.
-
-[Related commands:]
-
-"angle_coeff"_angle_coeff.html
-
-[Default:] none
diff --git a/doc/txt/angle_sdk.txt b/doc/txt/angle_sdk.txt
deleted file mode 100644
index 9382d560d3..0000000000
--- a/doc/txt/angle_sdk.txt
+++ /dev/null
@@ -1,83 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-angle_style sdk command :h3
-angle_style sdk/omp command :h3
-
-[Syntax:]
-
-angle_style sdk :pre
-angle_style sdk/omp :pre
-
-[Examples:]
-
-angle_style sdk
-angle_coeff 1 300.0 107.0 :pre
-
-[Description:]
-
-The {sdk} angle style is a combination of the harmonic angle potential,
-
-:c,image(Eqs/angle_harmonic.jpg)
-
-where theta0 is the equilibrium value of the angle and K a prefactor,
-with the {repulsive} part of the non-bonded {lj/sdk} pair style
-between the atoms 1 and 3.  This angle potential is intended for
-coarse grained MD simulations with the CMM parameterization using the
-"pair_style lj/sdk"_pair_sdk.html.  Relative to the pair_style
-{lj/sdk}, however, the energy is shifted by {epsilon}, to avoid sudden
-jumps.  Note that the usual 1/2 factor is included in K.
-
-The following coefficients must be defined for each angle type via the
-"angle_coeff"_angle_coeff.html command as in the example above:
-
-K (energy/radian^2)
-theta0 (degrees) :ul
-
-Theta0 is specified in degrees, but LAMMPS converts it to radians
-internally; hence the units of K are in energy/radian^2.
-The also required {lj/sdk} parameters will be extracted automatically
-from the pair_style.
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restrictions:]
-
-This angle style can only be used if LAMMPS was built with the
-USER-CGSDK package.  See the "Build package"_Build_package.html doc
-page for more info.
-
-[Related commands:]
-
-"angle_coeff"_angle_coeff.html, "angle_style
-harmonic"_angle_harmonic.html, "pair_style lj/sdk"_pair_sdk.html,
-"pair_style lj/sdk/coul/long"_pair_sdk.html
-
-[Default:] none
diff --git a/doc/txt/angle_style.txt b/doc/txt/angle_style.txt
deleted file mode 100644
index 2f2da678d8..0000000000
--- a/doc/txt/angle_style.txt
+++ /dev/null
@@ -1,112 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-angle_style command :h3
-
-[Syntax:]
-
-angle_style style :pre
-
-style = {none} or {hybrid} or {charmm} or {class2} or {cosine} or \
-        {cosine/squared} or {harmonic} :ul
-
-[Examples:]
-
-angle_style harmonic
-angle_style charmm
-angle_style hybrid harmonic cosine :pre
-
-[Description:]
-
-Set the formula(s) LAMMPS uses to compute angle interactions between
-triplets of atoms, which remain in force for the duration of the
-simulation.  The list of angle triplets is read in by a
-"read_data"_read_data.html or "read_restart"_read_restart.html command
-from a data or restart file.
-
-Hybrid models where angles are computed using different angle
-potentials can be setup using the {hybrid} angle style.
-
-The coefficients associated with a angle style can be specified in a
-data or restart file or via the "angle_coeff"_angle_coeff.html command.
-
-All angle potentials store their coefficient data in binary restart
-files which means angle_style and "angle_coeff"_angle_coeff.html
-commands do not need to be re-specified in an input script that
-restarts a simulation.  See the "read_restart"_read_restart.html
-command for details on how to do this.  The one exception is that
-angle_style {hybrid} only stores the list of sub-styles in the restart
-file; angle coefficients need to be re-specified.
-
-NOTE: When both an angle and pair style is defined, the
-"special_bonds"_special_bonds.html command often needs to be used to
-turn off (or weight) the pairwise interaction that would otherwise
-exist between 3 bonded atoms.
-
-In the formulas listed for each angle style, {theta} is the angle
-between the 3 atoms in the angle.
-
-:line
-
-Here is an alphabetic list of angle styles defined in LAMMPS.  Click on
-the style to display the formula it computes and coefficients
-specified by the associated "angle_coeff"_angle_coeff.html command.
-
-Click on the style to display the formula it computes, any additional
-arguments specified in the angle_style command, and coefficients
-specified by the associated "angle_coeff"_angle_coeff.html command.
-
-There are also additional accelerated pair styles included in the
-LAMMPS distribution for faster performance on CPUs, GPUs, and KNLs.
-The individual style names on the "Commands
-angle"_Commands_bond.html#angle doc page are followed by one or more
-of (g,i,k,o,t) to indicate which accelerated styles exist.
-
-"none"_angle_none.html - turn off angle interactions
-"zero"_angle_zero.html - topology but no interactions
-"hybrid"_angle_hybrid.html - define multiple styles of angle interactions :ul
-
-"charmm"_angle_charmm.html - CHARMM angle
-"class2"_angle_class2.html - COMPASS (class 2) angle
-"class2/p6"_angle_class2.html - COMPASS (class 2) angle expanded to 6th order
-"cosine"_angle_cosine.html - angle with cosine term
-"cosine/buck6d"_angle_cosine_buck6d.html - same as cosine with Buckingham term between 1-3 atoms
-"cosine/delta"_angle_cosine_delta.html - angle with difference of cosines
-"cosine/periodic"_angle_cosine_periodic.html - DREIDING angle
-"cosine/shift"_angle_cosine_shift.html - angle cosine with a shift
-"cosine/shift/exp"_angle_cosine_shift_exp.html - cosine with shift and exponential term in spring constant
-"cosine/squared"_angle_cosine_squared.html - angle with cosine squared term
-"cross"_angle_cross.html - cross term coupling angle and bond lengths
-"dipole"_angle_dipole.html - angle that controls orientation of a point dipole
-"fourier"_angle_fourier.html - angle with multiple cosine terms
-"fourier/simple"_angle_fourier_simple.html - angle with a single cosine term
-"harmonic"_angle_harmonic.html - harmonic angle
-"mm3"_angle_mm3.html - anharmonic angle
-"quartic"_angle_quartic.html - angle with cubic and quartic terms
-"sdk"_angle_sdk.html - harmonic angle with repulsive SDK pair style between 1-3 atoms
-"table"_angle_table.html - tabulated by angle :ul
-
-:line
-
-[Restrictions:]
-
-Angle styles can only be set for atom_styles that allow angles to be
-defined.
-
-Most angle styles are part of the MOLECULE package.  They are only
-enabled if LAMMPS was built with that package.  See the "Build
-package"_Build_package.html doc page for more info.  The doc pages for
-individual bond potentials tell if it is part of a package.
-
-[Related commands:]
-
-"angle_coeff"_angle_coeff.html
-
-[Default:]
-
-angle_style none :pre
diff --git a/doc/txt/angle_table.txt b/doc/txt/angle_table.txt
deleted file mode 100644
index 61c987f587..0000000000
--- a/doc/txt/angle_table.txt
+++ /dev/null
@@ -1,166 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-angle_style table command :h3
-angle_style table/omp command :h3
-
-[Syntax:]
-
-angle_style table style N :pre
-
-style = {linear} or {spline} = method of interpolation
-N = use N values in table :ul
-
-[Examples:]
-
-angle_style table linear 1000
-angle_coeff 3 file.table ENTRY1 :pre
-
-[Description:]
-
-Style {table} creates interpolation tables of length {N} from angle
-potential and derivative values listed in a file(s) as a function of
-angle The files are read by the "angle_coeff"_angle_coeff.html
-command.
-
-The interpolation tables are created by fitting cubic splines to the
-file values and interpolating energy and derivative values at each of
-{N} angles.  During a simulation, these tables are used to interpolate
-energy and force values on individual atoms as needed.  The
-interpolation is done in one of 2 styles: {linear} or {spline}.
-
-For the {linear} style, the angle is used to find 2 surrounding table
-values from which an energy or its derivative is computed by linear
-interpolation.
-
-For the {spline} style, a cubic spline coefficients are computed and
-stored at each of the {N} values in the table.  The angle is used to
-find the appropriate set of coefficients which are used to evaluate a
-cubic polynomial which computes the energy or derivative.
-
-The following coefficients must be defined for each angle type via the
-"angle_coeff"_angle_coeff.html command as in the example above.
-
-filename
-keyword :ul
-
-The filename specifies a file containing tabulated energy and
-derivative values.  The keyword specifies a section of the file.  The
-format of this file is described below.
-
-:line
-
-The format of a tabulated file is as follows (without the
-parenthesized comments):
-
-# Angle potential for harmonic (one or more comment or blank lines) :pre
-
-HAM                           (keyword is the first text on line)
-N 181 FP 0 0 EQ 90.0          (N, FP, EQ parameters)
-                              (blank line)
-N 181 FP 0 0                  (N, FP parameters)
-1 0.0 200.5 2.5               (index, angle, energy, derivative)
-2 1.0 198.0 2.5
-...
-181 180.0 0.0 0.0 :pre
-
-A section begins with a non-blank line whose 1st character is not a
-"#"; blank lines or lines starting with "#" can be used as comments
-between sections.  The first line begins with a keyword which
-identifies the section.  The line can contain additional text, but the
-initial text must match the argument specified in the
-"angle_coeff"_angle_coeff.html command.  The next line lists (in any
-order) one or more parameters for the table.  Each parameter is a
-keyword followed by one or more numeric values.
-
-The parameter "N" is required and its value is the number of table
-entries that follow.  Note that this may be different than the {N}
-specified in the "angle_style table"_angle_style.html command.  Let
-Ntable = {N} in the angle_style command, and Nfile = "N" in the
-tabulated file.  What LAMMPS does is a preliminary interpolation by
-creating splines using the Nfile tabulated values as nodal points.  It
-uses these to interpolate as needed to generate energy and derivative
-values at Ntable different points.  The resulting tables of length
-Ntable are then used as described above, when computing energy and
-force for individual angles and their atoms.  This means that if you
-want the interpolation tables of length Ntable to match exactly what
-is in the tabulated file (with effectively no preliminary
-interpolation), you should set Ntable = Nfile.
-
-The "FP" parameter is optional.  If used, it is followed by two values
-fplo and fphi, which are the 2nd derivatives at the innermost and
-outermost angle settings.  These values are needed by the spline
-construction routines.  If not specified by the "FP" parameter, they
-are estimated (less accurately) by the first two and last two
-derivative values in the table.
-
-The "EQ" parameter is also optional.  If used, it is followed by a the
-equilibrium angle value, which is used, for example, by the "fix
-shake"_fix_shake.html command.  If not used, the equilibrium angle is
-set to 180.0.
-
-Following a blank line, the next N lines list the tabulated values.
-On each line, the 1st value is the index from 1 to N, the 2nd value is
-the angle value (in degrees), the 3rd value is the energy (in energy
-units), and the 4th is -dE/d(theta) (also in energy units).  The 3rd
-term is the energy of the 3-atom configuration for the specified
-angle.  The last term is the derivative of the energy with respect to
-the angle (in degrees, not radians).  Thus the units of the last term
-are still energy, not force.  The angle values must increase from one
-line to the next.  The angle values must also begin with 0.0 and end
-with 180.0, i.e. span the full range of possible angles.
-
-Note that one file can contain many sections, each with a tabulated
-potential.  LAMMPS reads the file section by section until it finds
-one that matches the specified keyword.
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restart info:]
-
-This angle style writes the settings for the "angle_style table"
-command to "binary restart files"_restart.html, so a angle_style
-command does not need to specified in an input script that reads a
-restart file.  However, the coefficient information is not stored in
-the restart file, since it is tabulated in the potential files.  Thus,
-angle_coeff commands do need to be specified in the restart input
-script.
-
-[Restrictions:]
-
-This angle style can only be used if LAMMPS was built with the
-MOLECULE package.  See the "Build package"_Build_package.html doc page
-for more info.
-
-[Related commands:]
-
-"angle_coeff"_angle_coeff.html
-
-[Default:] none
diff --git a/doc/txt/angle_zero.txt b/doc/txt/angle_zero.txt
deleted file mode 100644
index c6c1958ec8..0000000000
--- a/doc/txt/angle_zero.txt
+++ /dev/null
@@ -1,49 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-angle_style zero command :h3
-
-[Syntax:]
-
-angle_style zero {nocoeff} :pre
-
-[Examples:]
-
-angle_style zero
-angle_style zero nocoeff
-angle_coeff *
-angle_coeff * 120.0 :pre
-
-[Description:]
-
-Using an angle style of zero means angle forces and energies are not
-computed, but the geometry of angle triplets is still accessible to
-other commands.
-
-As an example, the "compute angle/local"_compute_angle_local.html
-command can be used to compute the theta values for the list of
-triplets of angle atoms listed in the data file read by the
-"read_data"_read_data.html command.  If no angle style is defined,
-this command cannot be used.
-
-The optional {nocoeff} flag allows to read data files with AngleCoeff
-section for any angle style. Similarly, any angle_coeff commands
-will only be checked for the angle type number and the rest ignored.
-
-Note that the "angle_coeff"_angle_coeff.html command must be used for
-all angle types. If specified, there can be only one value, which is
-going to be used to assign an equilibrium angle, e.g. for use with
-"fix shake"_fix_shake.html.
-
-[Restrictions:] none
-
-[Related commands:]
-
-"angle_style none"_angle_none.html
-
-[Default:] none
diff --git a/doc/txt/atom_modify.txt b/doc/txt/atom_modify.txt
deleted file mode 100644
index d598b4697c..0000000000
--- a/doc/txt/atom_modify.txt
+++ /dev/null
@@ -1,175 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS
-Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-atom_modify command :h3
-
-[Syntax:]
-
-atom_modify keyword values ... :pre
-
-one or more keyword/value pairs may be appended :ulb,l
-keyword = {id} or {map} or {first} or {sort} :l
-   {id} value = {yes} or {no}
-   {map} value = {yes} or {array} or {hash}
-   {first} value = group-ID = group whose atoms will appear first in internal atom lists
-   {sort} values = Nfreq binsize
-     Nfreq = sort atoms spatially every this many time steps
-     binsize = bin size for spatial sorting (distance units) :pre
-:ule
-
-[Examples:]
-
-atom_modify map yes
-atom_modify map hash sort 10000 2.0
-atom_modify first colloid :pre
-
-[Description:]
-
-Modify certain attributes of atoms defined and stored within LAMMPS,
-in addition to what is specified by the "atom_style"_atom_style.html
-command.  The {id} and {map} keywords must be specified before a
-simulation box is defined; other keywords can be specified any time.
-
-The {id} keyword determines whether non-zero atom IDs can be assigned
-to each atom.  If the value is {yes}, which is the default, IDs are
-assigned, whether you use the "create atoms"_create_atoms.html or
-"read_data"_read_data.html or "read_restart"_read_restart.html
-commands to initialize atoms.  If the value is {no} the IDs for all
-atoms are assumed to be 0.
-
-If atom IDs are used, they must all be positive integers.  They should
-also be unique, though LAMMPS does not check for this.  Typically they
-should also be consecutively numbered (from 1 to Natoms), though this
-is not required.  Molecular "atom styles"_atom_style.html are those
-that store bond topology information (styles bond, angle, molecular,
-full).  These styles require atom IDs since the IDs are used to encode
-the topology.  Some other LAMMPS commands also require the use of atom
-IDs.  E.g. some many-body pair styles use them to avoid double
-computation of the I-J interaction between two atoms.
-
-The only reason not to use atom IDs is if you are running an atomic
-simulation so large that IDs cannot be uniquely assigned.  For a
-default LAMMPS build this limit is 2^31 or about 2 billion atoms.
-However, even in this case, you can use 64-bit atom IDs, allowing 2^63
-or about 9e18 atoms, if you build LAMMPS with the - DLAMMPS_BIGBIG
-switch.  This is described on the "Build_settings"_Build_settings.html
-doc page.  If atom IDs are not used, they must be specified as 0 for
-all atoms, e.g. in a data or restart file.
-
-The {map} keyword determines how atoms with specific IDs are found
-when required.  An example are the bond (angle, etc) methods which
-need to find the local index of an atom with a specific global ID
-which is a bond (angle, etc) partner.  LAMMPS performs this operation
-efficiently by creating a "map", which is either an {array} or {hash}
-table, as described below.
-
-When the {map} keyword is not specified in your input script, LAMMPS
-only creates a map for "atom_styles"_atom_style.html for molecular
-systems which have permanent bonds (angles, etc).  No map is created
-for atomic systems, since it is normally not needed.  However some
-LAMMPS commands require a map, even for atomic systems, and will
-generate an error if one does not exist.  The {map} keyword thus
-allows you to force the creation of a map.  The {yes} value will
-create either an {array} or {hash} style map, as explained in the next
-paragraph.  The {array} and {hash} values create an atom-style or
-hash-style map respectively.
-
-For an {array}-style map, each processor stores a lookup table of
-length N, where N is the largest atom ID in the system.  This is a
-fast, simple method for many simulations, but requires too much memory
-for large simulations.  For a {hash}-style map, a hash table is
-created on each processor, which finds an atom ID in constant time
-(independent of the global number of atom IDs).  It can be slightly
-slower than the {array} map, but its memory cost is proportional to
-the number of atoms owned by a processor, i.e. N/P when N is the total
-number of atoms in the system and P is the number of processors.
-
-The {first} keyword allows a "group"_group.html to be specified whose
-atoms will be maintained as the first atoms in each processor's list
-of owned atoms.  This in only useful when the specified group is a
-small fraction of all the atoms, and there are other operations LAMMPS
-is performing that will be sped-up significantly by being able to loop
-over the smaller set of atoms.  Otherwise the reordering required by
-this option will be a net slow-down.  The "neigh_modify
-include"_neigh_modify.html and "comm_modify group"_comm_modify.html
-commands are two examples of commands that require this setting to
-work efficiently.  Several "fixes"_fix.html, most notably time
-integration fixes like "fix nve"_fix_nve.html, also take advantage of
-this setting if the group they operate on is the group specified by
-this command.  Note that specifying "all" as the group-ID effectively
-turns off the {first} option.
-
-It is OK to use the {first} keyword with a group that has not yet been
-defined, e.g. to use the atom_modify first command at the beginning of
-your input script.  LAMMPS does not use the group until a simulation
-is run.
-
-The {sort} keyword turns on a spatial sorting or reordering of atoms
-within each processor's sub-domain every {Nfreq} timesteps.  If
-{Nfreq} is set to 0, then sorting is turned off.  Sorting can improve
-cache performance and thus speed-up a LAMMPS simulation, as discussed
-in a paper by "(Meloni)"_#Meloni.  Its efficacy depends on the problem
-size (atoms/processor), how quickly the system becomes disordered, and
-various other factors.  As a general rule, sorting is typically more
-effective at speeding up simulations of liquids as opposed to solids.
-In tests we have done, the speed-up can range from zero to 3-4x.
-
-Reordering is performed every {Nfreq} timesteps during a dynamics run
-or iterations during a minimization.  More precisely, reordering
-occurs at the first reneighboring that occurs after the target
-timestep.  The reordering is performed locally by each processor,
-using bins of the specified {binsize}.  If {binsize} is set to 0.0,
-then a binsize equal to half the "neighbor"_neighbor.html cutoff
-distance (force cutoff plus skin distance) is used, which is a
-reasonable value.  After the atoms have been binned, they are
-reordered so that atoms in the same bin are adjacent to each other in
-the processor's 1d list of atoms.
-
-The goal of this procedure is for atoms to put atoms close to each
-other in the processor's one-dimensional list of atoms that are also
-near to each other spatially.  This can improve cache performance when
-pairwise interactions and neighbor lists are computed.  Note that if
-bins are too small, there will be few atoms/bin.  Likewise if bins are
-too large, there will be many atoms/bin.  In both cases, the goal of
-cache locality will be undermined.
-
-NOTE: Running a simulation with sorting on versus off should not
-change the simulation results in a statistical sense.  However, a
-different ordering will induce round-off differences, which will lead
-to diverging trajectories over time when comparing two simulations.
-Various commands, particularly those which use random numbers
-(e.g. "velocity create"_velocity.html, and "fix
-langevin"_fix_langevin.html), may generate (statistically identical)
-results which depend on the order in which atoms are processed.  The
-order of atoms in a "dump"_dump.html file will also typically change
-if sorting is enabled.
-
-[Restrictions:]
-
-The {first} and {sort} options cannot be used together.  Since sorting
-is on by default, it will be turned off if the {first} keyword is
-used with a group-ID that is not "all".
-
-[Related commands:] none
-
-[Default:]
-
-By default, {id} is yes.  By default, atomic systems (no bond topology
-info) do not use a map.  For molecular systems (with bond topology
-info), a map is used.  The default map style is array if no atom ID is
-larger than 1 million, otherwise the default is hash.  By default, a
-"first" group is not defined.  By default, sorting is enabled with a
-frequency of 1000 and a binsize of 0.0, which means the neighbor
-cutoff will be used to set the bin size. If no neighbor cutoff is
-defined, sorting will be turned off.
-
-:line
-
-:link(Meloni)
-[(Meloni)] Meloni, Rosati and Colombo, J Chem Phys, 126, 121102 (2007).
diff --git a/doc/txt/atom_style.txt b/doc/txt/atom_style.txt
deleted file mode 100644
index ff96fedab9..0000000000
--- a/doc/txt/atom_style.txt
+++ /dev/null
@@ -1,338 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-atom_style command :h3
-
-[Syntax:]
-
-atom_style style args :pre
-
-style = {angle} or {atomic} or {body} or {bond} or {charge} or {dipole} or \
-        {dpd} or {edpd} or {mdpd} or {tdpd} or {electron} or {ellipsoid} or \
-        {full} or {line} or {meso} or {molecular} or {peri} or {smd} or \
-        {sphere} or {spin} or {tri} or {template} or {hybrid} :ulb,l
-  args = none for any style except the following
-    {body} args = bstyle bstyle-args
-      bstyle = style of body particles
-      bstyle-args = additional arguments specific to the bstyle
-                    see the "Howto body"_Howto_body.html doc page for details
-    {tdpd} arg = Nspecies
-      Nspecies = # of chemical species
-    {template} arg = template-ID
-      template-ID = ID of molecule template specified in a separate "molecule"_molecule.html command
-    {hybrid} args = list of one or more sub-styles, each with their args :pre
-
-accelerated styles (with same args) = {angle/kk} or {atomic/kk} or {bond/kk} or {charge/kk} or {full/kk} or {molecular/kk} :l
-:ule
-
-[Examples:]
-
-atom_style atomic
-atom_style bond
-atom_style full
-atom_style body nparticle 2 10
-atom_style hybrid charge bond
-atom_style hybrid charge body nparticle 2 5
-atom_style spin
-atom_style template myMols
-atom_style tdpd 2 :pre
-
-[Description:]
-
-Define what style of atoms to use in a simulation.  This determines
-what attributes are associated with the atoms.  This command must be
-used before a simulation is setup via a "read_data"_read_data.html,
-"read_restart"_read_restart.html, or "create_box"_create_box.html
-command.
-
-NOTE: Many of the atom styles discussed here are only enabled if
-LAMMPS was built with a specific package, as listed below in the
-Restrictions section.
-
-Once a style is assigned, it cannot be changed, so use a style general
-enough to encompass all attributes.  E.g. with style {bond}, angular
-terms cannot be used or added later to the model.  It is OK to use a
-style more general than needed, though it may be slightly inefficient.
-
-The choice of style affects what quantities are stored by each atom,
-what quantities are communicated between processors to enable forces
-to be computed, and what quantities are listed in the data file read
-by the "read_data"_read_data.html command.
-
-These are the additional attributes of each style and the typical
-kinds of physical systems they are used to model.  All styles store
-coordinates, velocities, atom IDs and types.  See the
-"read_data"_read_data.html, "create_atoms"_create_atoms.html, and
-"set"_set.html commands for info on how to set these various
-quantities.
-
-{angle} | bonds and angles | bead-spring polymers with stiffness |
-{atomic} | only the default values | coarse-grain liquids, solids, metals |
-{body} | mass, inertia moments, quaternion, angular momentum | arbitrary bodies |
-{bond} | bonds | bead-spring polymers |
-{charge} | charge | atomic system with charges |
-{dipole} | charge and dipole moment | system with dipolar particles |
-{dpd} | internal temperature and internal energies | DPD particles |
-{edpd} | temperature and heat capacity | eDPD particles |
-{mdpd} | density | mDPD particles |
-{tdpd} | chemical concentration | tDPD particles |
-{electron} | charge and spin and eradius | electronic force field |
-{ellipsoid} | shape, quaternion, angular momentum | aspherical particles |
-{full} | molecular + charge | bio-molecules |
-{line} | end points, angular velocity | rigid bodies |
-{meso} | rho, e, cv | SPH particles |
-{molecular} | bonds, angles, dihedrals, impropers | uncharged molecules |
-{peri} | mass, volume | mesoscopic Peridynamic models |
-{smd} | volume, kernel diameter, contact radius, mass | solid and fluid SPH particles |
-{sphere} | diameter, mass, angular velocity | granular models |
-{spin} | magnetic moment | system with magnetic particles |
-{template} | template index, template atom | small molecules with fixed topology |
-{tri} | corner points, angular momentum | rigid bodies |
-{wavepacket} | charge, spin, eradius, etag, cs_re, cs_im | AWPMD :tb(c=3,s=|)
-
-NOTE: It is possible to add some attributes, such as a molecule ID, to
-atom styles that do not have them via the "fix
-property/atom"_fix_property_atom.html command.  This command also
-allows new custom attributes consisting of extra integer or
-floating-point values to be added to atoms.  See the "fix
-property/atom"_fix_property_atom.html doc page for examples of cases
-where this is useful and details on how to initialize, access, and
-output the custom values.
-
-All of the above styles define point particles, except the {sphere},
-{ellipsoid}, {electron}, {peri}, {wavepacket}, {line}, {tri}, and
-{body} styles, which define finite-size particles.  See the "Howto
-spherical"_Howto_spherical.html doc page for an overview of using
-finite-size particle models with LAMMPS.
-
-All of the point-particle styles assign mass to particles on a
-per-type basis, using the "mass"_mass.html command, The finite-size
-particle styles assign mass to individual particles on a per-particle
-basis.
-
-For the {sphere} style, the particles are spheres and each stores a
-per-particle diameter and mass.  If the diameter > 0.0, the particle
-is a finite-size sphere.  If the diameter = 0.0, it is a point
-particle.  Note that by use of the {disc} keyword with the "fix
-nve/sphere"_fix_nve_sphere.html, "fix nvt/sphere"_fix_nvt_sphere.html,
-"fix nph/sphere"_fix_nph_sphere.html, "fix
-npt/sphere"_fix_npt_sphere.html commands, spheres can be effectively
-treated as 2d discs for a 2d simulation if desired.  See also the "set
-density/disc"_set.html command.
-
-For the {ellipsoid} style, the particles are ellipsoids and each
-stores a flag which indicates whether it is a finite-size ellipsoid or
-a point particle.  If it is an ellipsoid, it also stores a shape
-vector with the 3 diameters of the ellipsoid and a quaternion 4-vector
-with its orientation.
-
-For the {dipole} style, a point dipole is defined for each point
-particle.  Note that if you wish the particles to be finite-size
-spheres as in a Stockmayer potential for a dipolar fluid, so that the
-particles can rotate due to dipole-dipole interactions, then you need
-to use atom_style hybrid sphere dipole, which will assign both a
-diameter and dipole moment to each particle.
-
-For the {electron} style, the particles representing electrons are 3d
-Gaussians with a specified position and bandwidth or uncertainty in
-position, which is represented by the eradius = electron size.
-
-For the {peri} style, the particles are spherical and each stores a
-per-particle mass and volume.
-
-The {dpd} style is for dissipative particle dynamics (DPD) particles.
-Note that it is part of the USER-DPD package, and is not for use with
-the "pair_style dpd or dpd/stat"_pair_dpd.html commands, which can
-simply use atom_style atomic.  Atom_style dpd extends DPD particle
-properties with internal temperature (dpdTheta), internal conductive
-energy (uCond), internal mechanical energy (uMech), and internal
-chemical energy (uChem).
-
-The {edpd} style is for energy-conserving dissipative particle
-dynamics (eDPD) particles which store a temperature (edpd_temp), and
-heat capacity(edpd_cv).
-
-The {mdpd} style is for many-body dissipative particle dynamics (mDPD)
-particles which store a density (rho) for considering
-density-dependent many-body interactions.
-
-The {tdpd} style is for transport dissipative particle dynamics (tDPD)
-particles which store a set of chemical concentration. An integer
-"cc_species" is required to specify the number of chemical species
-involved in a tDPD system.
-
-The {meso} style is for smoothed particle hydrodynamics (SPH)
-particles which store a density (rho), energy (e), and heat capacity
-(cv).
-
-The {smd} style is for a general formulation of Smooth Particle
-Hydrodynamics.  Both fluids and solids can be modeled.  Particles
-store the mass and volume of an integration point, a kernel diameter
-used for calculating the field variables (e.g. stress and deformation)
-and a contact radius for calculating repulsive forces which prevent
-individual physical bodies from penetrating each other.
-
-For the {spin} style, a magnetic spin is associated to each atom.
-Those spins have a norm (their magnetic moment) and a direction.
-
-The {wavepacket} style is similar to {electron}, but the electrons may
-consist of several Gaussian wave packets, summed up with coefficients
-cs= (cs_re,cs_im).  Each of the wave packets is treated as a separate
-particle in LAMMPS, wave packets belonging to the same electron must
-have identical {etag} values.
-
-For the {line} style, the particles are idealized line segments and
-each stores a per-particle mass and length and orientation (i.e. the
-end points of the line segment).
-
-For the {tri} style, the particles are planar triangles and each
-stores a per-particle mass and size and orientation (i.e. the corner
-points of the triangle).
-
-The {template} style allows molecular topology (bonds,angles,etc) to be
-defined via a molecule template using the "molecule"_molecule.html
-command.  The template stores one or more molecules with a single copy
-of the topology info (bonds,angles,etc) of each.  Individual atoms
-only store a template index and template atom to identify which
-molecule and which atom-within-the-molecule they represent.  Using the
-{template} style instead of the {bond}, {angle}, {molecular} styles
-can save memory for systems comprised of a large number of small
-molecules, all of a single type (or small number of types).  See the
-paper by Grime and Voth, in "(Grime)"_#Grime, for examples of how this
-can be advantageous for large-scale coarse-grained systems.
-
-NOTE: When using the {template} style with a "molecule
-template"_molecule.html that contains multiple molecules, you should
-insure the atom types, bond types, angle_types, etc in all the
-molecules are consistent.  E.g. if one molecule represents H2O and
-another CO2, then you probably do not want each molecule file to
-define 2 atom types and a single bond type, because they will conflict
-with each other when a mixture system of H2O and CO2 molecules is
-defined, e.g. by the "read_data"_read_data.html command.  Rather the
-H2O molecule should define atom types 1 and 2, and bond type 1.  And
-the CO2 molecule should define atom types 3 and 4 (or atom types 3 and
-2 if a single oxygen type is desired), and bond type 2.
-
-For the {body} style, the particles are arbitrary bodies with internal
-attributes defined by the "style" of the bodies, which is specified by
-the {bstyle} argument.  Body particles can represent complex entities,
-such as surface meshes of discrete points, collections of
-sub-particles, deformable objects, etc.
-
-The "Howto body"_Howto_body.html doc page describes the body styles
-LAMMPS currently supports, and provides more details as to the kind of
-body particles they represent.  For all styles, each body particle
-stores moments of inertia and a quaternion 4-vector, so that its
-orientation and position can be time integrated due to forces and
-torques.
-
-Note that there may be additional arguments required along with the
-{bstyle} specification, in the atom_style body command.  These
-arguments are described on the "Howto body"_Howto_body.html doc page.
-
-:line
-
-Typically, simulations require only a single (non-hybrid) atom style.
-If some atoms in the simulation do not have all the properties defined
-by a particular style, use the simplest style that defines all the
-needed properties by any atom.  For example, if some atoms in a
-simulation are charged, but others are not, use the {charge} style.
-If some atoms have bonds, but others do not, use the {bond} style.
-
-The only scenario where the {hybrid} style is needed is if there is no
-single style which defines all needed properties of all atoms.  For
-example, as mentioned above, if you want dipolar particles which will
-rotate due to torque, you need to use "atom_style hybrid sphere
-dipole".  When a hybrid style is used, atoms store and communicate the
-union of all quantities implied by the individual styles.
-
-When using the {hybrid} style, you cannot combine the {template} style
-with another molecular style that stores bond,angle,etc info on a
-per-atom basis.
-
-LAMMPS can be extended with new atom styles as well as new body
-styles; see the "Modify"_Modify.html doc page.
-
-:line
-
-Styles with a {kk} suffix are functionally the same as the
-corresponding style without the suffix.  They have been optimized to
-run faster, depending on your available hardware, as discussed in on
-the "Speed packages"_Speed_packages.html doc page.  The accelerated
-styles take the same arguments and should produce the same results,
-except for round-off and precision issues.
-
-Note that other acceleration packages in LAMMPS, specifically the GPU,
-USER-INTEL, USER-OMP, and OPT packages do not use accelerated atom
-styles.
-
-The accelerated styles are part of the KOKKOS package.  They are only
-enabled if LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-[Restrictions:]
-
-This command cannot be used after the simulation box is defined by a
-"read_data"_read_data.html or "create_box"_create_box.html command.
-
-Many of the styles listed above are only enabled if LAMMPS was built
-with a specific package, as listed below.  See the "Build
-package"_Build_package.html doc page for more info.
-
-The {angle}, {bond}, {full}, {molecular}, and {template} styles are
-part of the MOLECULE package.
-
-The {line} and {tri} styles are part of the ASPHERE package.
-
-The {body} style is part of the BODY package.
-
-The {dipole} style is part of the DIPOLE package.
-
-The {peri} style is part of the PERI package for Peridynamics.
-
-The {electron} style is part of the USER-EFF package for "electronic
-force fields"_pair_eff.html.
-
-The {dpd} style is part of the USER-DPD package for dissipative
-particle dynamics (DPD).
-
-The {edpd}, {mdpd}, and {tdpd} styles are part of the USER-MESO package
-for energy-conserving dissipative particle dynamics (eDPD), many-body
-dissipative particle dynamics (mDPD), and transport dissipative particle
-dynamics (tDPD), respectively.
-
-The {meso} style is part of the USER-SPH package for smoothed particle
-hydrodynamics (SPH).  See "this PDF
-guide"_USER/sph/SPH_LAMMPS_userguide.pdf to using SPH in LAMMPS.
-
-The {spin} style is part of the SPIN package.
-
-The {wavepacket} style is part of the USER-AWPMD package for the
-"antisymmetrized wave packet MD method"_pair_awpmd.html.
-
-[Related commands:]
-
-"read_data"_read_data.html, "pair_style"_pair_style.html
-
-[Default:]
-
-atom_style atomic
-
-:line
-
-:link(Grime)
-[(Grime)] Grime and Voth, to appear in J Chem Theory & Computation
-(2014).
diff --git a/doc/txt/bond_class2.txt b/doc/txt/bond_class2.txt
deleted file mode 100644
index 4390e3613c..0000000000
--- a/doc/txt/bond_class2.txt
+++ /dev/null
@@ -1,81 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-bond_style class2 command :h3
-bond_style class2/omp command :h3
-bond_style class2/kk command :h3
-
-[Syntax:]
-
-bond_style class2 :pre
-
-[Examples:]
-
-bond_style class2
-bond_coeff 1 1.0 100.0 80.0 80.0 :pre
-
-[Description:]
-
-The {class2} bond style uses the potential
-
-:c,image(Eqs/bond_class2.jpg)
-
-where r0 is the equilibrium bond distance.
-
-See "(Sun)"_#bond-Sun for a description of the COMPASS class2 force field.
-
-The following coefficients must be defined for each bond type via the
-"bond_coeff"_bond_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-R0 (distance)
-K2 (energy/distance^2)
-K3 (energy/distance^3)
-K4 (energy/distance^4) :ul
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restrictions:]
-
-This bond style can only be used if LAMMPS was built with the CLASS2
-package.  See the "Build package"_Build_package.html doc page for more
-info.
-
-[Related commands:]
-
-"bond_coeff"_bond_coeff.html, "delete_bonds"_delete_bonds.html
-
-[Default:] none
-
-:line
-
-:link(bond-Sun)
-[(Sun)] Sun, J Phys Chem B 102, 7338-7364 (1998).
diff --git a/doc/txt/bond_coeff.txt b/doc/txt/bond_coeff.txt
deleted file mode 100644
index 1280ae3fb0..0000000000
--- a/doc/txt/bond_coeff.txt
+++ /dev/null
@@ -1,82 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-bond_coeff command :h3
-
-[Syntax:]
-
-bond_coeff N args :pre
-
-N = bond type (see asterisk form below)
-args = coefficients for one or more bond types :ul
-
-[Examples:]
-
-bond_coeff 5 80.0 1.2
-bond_coeff * 30.0 1.5 1.0 1.0
-bond_coeff 1*4 30.0 1.5 1.0 1.0
-bond_coeff 1 harmonic 200.0 1.0 :pre
-
-[Description:]
-
-Specify the bond force field coefficients for one or more bond types.
-The number and meaning of the coefficients depends on the bond style.
-Bond coefficients can also be set in the data file read by the
-"read_data"_read_data.html command or in a restart file.
-
-N can be specified in one of two ways.  An explicit numeric value can
-be used, as in the 1st example above.  Or a wild-card asterisk can be
-used to set the coefficients for multiple bond types.  This takes the
-form "*" or "*n" or "n*" or "m*n".  If N = the number of bond types,
-then an asterisk with no numeric values means all types from 1 to N.  A
-leading asterisk means all types from 1 to n (inclusive).  A trailing
-asterisk means all types from n to N (inclusive).  A middle asterisk
-means all types from m to n (inclusive).
-
-Note that using a bond_coeff command can override a previous setting
-for the same bond type.  For example, these commands set the coeffs
-for all bond types, then overwrite the coeffs for just bond type 2:
-
-bond_coeff * 100.0 1.2
-bond_coeff 2 200.0 1.2 :pre
-
-A line in a data file that specifies bond coefficients uses the exact
-same format as the arguments of the bond_coeff command in an input
-script, except that wild-card asterisks should not be used since
-coefficients for all N types must be listed in the file.  For example,
-under the "Bond Coeffs" section of a data file, the line that
-corresponds to the 1st example above would be listed as
-
-5 80.0 1.2 :pre
-
-:line
-
-The list of all bond styles defined in LAMMPS is given on the
-"bond_style"_bond_style.html doc page.  They are also listed in more
-compact form on the "Commands bond"_Commands_bond.html doc page.
-
-On either of those pages, click on the style to display the formula it
-computes and its coefficients as specified by the associated
-bond_coeff command.
-
-:line
-
-[Restrictions:]
-
-This command must come after the simulation box is defined by a
-"read_data"_read_data.html, "read_restart"_read_restart.html, or
-"create_box"_create_box.html command.
-
-A bond style must be defined before any bond coefficients are set,
-either in the input script or in a data file.
-
-[Related commands:]
-
-"bond_style"_bond_style.html
-
-[Default:] none
diff --git a/doc/txt/bond_fene.txt b/doc/txt/bond_fene.txt
deleted file mode 100644
index 9ec4017d00..0000000000
--- a/doc/txt/bond_fene.txt
+++ /dev/null
@@ -1,88 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-bond_style fene command :h3
-bond_style fene/intel command :h3
-bond_style fene/kk command :h3
-bond_style fene/omp command :h3
-
-[Syntax:]
-
-bond_style fene :pre
-
-[Examples:]
-
-bond_style fene
-bond_coeff 1 30.0 1.5 1.0 1.0 :pre
-
-[Description:]
-
-The {fene} bond style uses the potential
-
-:c,image(Eqs/bond_fene.jpg)
-
-to define a finite extensible nonlinear elastic (FENE) potential
-"(Kremer)"_#fene-Kremer, used for bead-spring polymer models.  The first
-term is attractive, the 2nd Lennard-Jones term is repulsive.  The
-first term extends to R0, the maximum extent of the bond.  The 2nd
-term is cutoff at 2^(1/6) sigma, the minimum of the LJ potential.
-
-The following coefficients must be defined for each bond type via the
-"bond_coeff"_bond_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-K (energy/distance^2)
-R0 (distance)
-epsilon (energy)
-sigma (distance) :ul
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restrictions:]
-
-This bond style can only be used if LAMMPS was built with the MOLECULE
-package.  See the "Build package"_Build_package.html doc page for more
-info.
-
-You typically should specify "special_bonds fene"_special_bonds.html
-or "special_bonds lj/coul 0 1 1"_special_bonds.html to use this bond
-style.  LAMMPS will issue a warning it that's not the case.
-
-[Related commands:]
-
-"bond_coeff"_bond_coeff.html, "delete_bonds"_delete_bonds.html
-
-[Default:] none
-
-:line
-
-:link(fene-Kremer)
-[(Kremer)] Kremer, Grest, J Chem Phys, 92, 5057 (1990).
diff --git a/doc/txt/bond_fene_expand.txt b/doc/txt/bond_fene_expand.txt
deleted file mode 100644
index 4d7d2d5438..0000000000
--- a/doc/txt/bond_fene_expand.txt
+++ /dev/null
@@ -1,91 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-bond_style fene/expand command :h3
-bond_style fene/expand/omp command :h3
-
-[Syntax:]
-
-bond_style fene/expand :pre
-
-[Examples:]
-
-bond_style fene/expand
-bond_coeff 1 30.0 1.5 1.0 1.0 0.5 :pre
-
-[Description:]
-
-The {fene/expand} bond style uses the potential
-
-:c,image(Eqs/bond_fene_expand.jpg)
-
-to define a finite extensible nonlinear elastic (FENE) potential
-"(Kremer)"_#feneexpand-Kremer, used for bead-spring polymer models.  The first
-term is attractive, the 2nd Lennard-Jones term is repulsive.
-
-The {fene/expand} bond style is similar to {fene} except that an extra
-shift factor of delta (positive or negative) is added to {r} to
-effectively change the bead size of the bonded atoms.  The first term
-now extends to R0 + delta and the 2nd term is cutoff at 2^(1/6) sigma
-+ delta.
-
-The following coefficients must be defined for each bond type via the
-"bond_coeff"_bond_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-K (energy/distance^2)
-R0 (distance)
-epsilon (energy)
-sigma (distance)
-delta (distance) :ul
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restrictions:]
-
-This bond style can only be used if LAMMPS was built with the MOLECULE
-package.  See the "Build package"_Build_package.html doc page for more
-info.
-
-You typically should specify "special_bonds fene"_special_bonds.html
-or "special_bonds lj/coul 0 1 1"_special_bonds.html to use this bond
-style.  LAMMPS will issue a warning it that's not the case.
-
-[Related commands:]
-
-"bond_coeff"_bond_coeff.html, "delete_bonds"_delete_bonds.html
-
-[Default:] none
-
-:line
-
-:link(feneexpand-Kremer)
-[(Kremer)] Kremer, Grest, J Chem Phys, 92, 5057 (1990).
diff --git a/doc/txt/bond_gromos.txt b/doc/txt/bond_gromos.txt
deleted file mode 100644
index e039e6c411..0000000000
--- a/doc/txt/bond_gromos.txt
+++ /dev/null
@@ -1,72 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-bond_style gromos command :h3
-bond_style gromos/omp command :h3
-
-[Syntax:]
-
-bond_style gromos :pre
-
-[Examples:]
-
-bond_style gromos
-bond_coeff 5 80.0 1.2 :pre
-
-[Description:]
-
-The {gromos} bond style uses the potential
-
-:c,image(Eqs/bond_gromos.jpg)
-
-where r0 is the equilibrium bond distance.  Note that the usual 1/4
-factor is included in K.
-
-The following coefficients must be defined for each bond type via the
-"bond_coeff"_bond_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-K (energy/distance^4)
-r0 (distance) :ul
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restrictions:]
-
-This bond style can only be used if LAMMPS was built with the MOLECULE
-package.  See the "Build package"_Build_package.html doc page for more
-info.
-
-[Related commands:]
-
-"bond_coeff"_bond_coeff.html, "delete_bonds"_delete_bonds.html
-
-[Default:] none
diff --git a/doc/txt/bond_harmonic.txt b/doc/txt/bond_harmonic.txt
deleted file mode 100644
index 3afdf4ceba..0000000000
--- a/doc/txt/bond_harmonic.txt
+++ /dev/null
@@ -1,74 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-bond_style harmonic command :h3
-bond_style harmonic/intel command :h3
-bond_style harmonic/kk command :h3
-bond_style harmonic/omp command :h3
-
-[Syntax:]
-
-bond_style harmonic :pre
-
-[Examples:]
-
-bond_style harmonic
-bond_coeff 5 80.0 1.2 :pre
-
-[Description:]
-
-The {harmonic} bond style uses the potential
-
-:c,image(Eqs/bond_harmonic.jpg)
-
-where r0 is the equilibrium bond distance.  Note that the usual 1/2
-factor is included in K.
-
-The following coefficients must be defined for each bond type via the
-"bond_coeff"_bond_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-K (energy/distance^2)
-r0 (distance) :ul
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restrictions:]
-
-This bond style can only be used if LAMMPS was built with the MOLECULE
-package.  See the "Build package"_Build_package.html doc page for more
-info.
-
-[Related commands:]
-
-"bond_coeff"_bond_coeff.html, "delete_bonds"_delete_bonds.html
-
-[Default:] none
diff --git a/doc/txt/bond_harmonic_shift.txt b/doc/txt/bond_harmonic_shift.txt
deleted file mode 100644
index 23d3dcb5d5..0000000000
--- a/doc/txt/bond_harmonic_shift.txt
+++ /dev/null
@@ -1,76 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-bond_style harmonic/shift command :h3
-bond_style harmonic/shift/omp command :h3
-
-[Syntax:]
-
-bond_style harmonic/shift :pre
-
-[Examples:]
-
-bond_style harmonic/shift
-bond_coeff 5 10.0 0.5 1.0 :pre
-
-[Description:]
-
-The {harmonic/shift} bond style is a shifted harmonic bond that uses
-the potential
-
-:c,image(Eqs/bond_harmonic_shift.jpg)
-
-where r0 is the equilibrium bond distance, and rc the critical distance.
-The potential is -Umin at r0 and zero at rc. The spring constant is
-k = Umin / \[ 2 (r0-rc)^2\].
-
-The following coefficients must be defined for each bond type via the
-"bond_coeff"_bond_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-Umin (energy) :ul
-r0 (distance) :ul
-rc (distance) :ul
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restrictions:]
-
-This bond style can only be used if LAMMPS was built with the
-USER-MISC package.  See the "Build package"_Build_package.html doc
-page for more info.
-
-[Related commands:]
-
-"bond_coeff"_bond_coeff.html, "delete_bonds"_delete_bonds.html,
-"bond_harmonic"_bond_harmonic.html
-
-[Default:] none
diff --git a/doc/txt/bond_harmonic_shift_cut.txt b/doc/txt/bond_harmonic_shift_cut.txt
deleted file mode 100644
index 13ccb5843b..0000000000
--- a/doc/txt/bond_harmonic_shift_cut.txt
+++ /dev/null
@@ -1,77 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-bond_style harmonic/shift/cut command :h3
-bond_style harmonic/shift/cut/omp command :h3
-
-[Syntax:]
-
-bond_style harmonic/shift/cut :pre
-
-[Examples:]
-
-bond_style harmonic/shift/cut
-bond_coeff 5 10.0 0.5 1.0 :pre
-
-[Description:]
-
-The {harmonic/shift/cut} bond style is a shifted harmonic bond that
-uses the potential
-
-:c,image(Eqs/bond_harmonic_shift_cut.jpg)
-
-where r0 is the equilibrium bond distance, and rc the critical distance.
-The bond potential is zero for distances r > rc. The potential is -Umin
-at r0 and zero at rc. The spring constant is k = Umin / \[ 2 (r0-rc)^2\].
-
-The following coefficients must be defined for each bond type via the
-"bond_coeff"_bond_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-Umin (energy)
-r0 (distance)
-rc (distance) :ul
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restrictions:]
-
-This bond style can only be used if LAMMPS was built with the
-USER-MISC package.  See the "Build package"_Build_package.html doc
-page for more info.
-
-[Related commands:]
-
-"bond_coeff"_bond_coeff.html, "delete_bonds"_delete_bonds.html,
-"bond_harmonic"_bond_harmonic.html,
-"bond_harmonic_shift"_bond_harmonic_shift.html
-
-[Default:] none
diff --git a/doc/txt/bond_hybrid.txt b/doc/txt/bond_hybrid.txt
deleted file mode 100644
index 0996f72ce3..0000000000
--- a/doc/txt/bond_hybrid.txt
+++ /dev/null
@@ -1,74 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-bond_style hybrid command :h3
-
-[Syntax:]
-
-bond_style hybrid style1 style2 ... :pre
-
-style1,style2 = list of one or more bond styles :ul
-
-[Examples:]
-
-bond_style hybrid harmonic fene
-bond_coeff 1 harmonic 80.0 1.2
-bond_coeff 2* fene 30.0 1.5 1.0 1.0 :pre
-
-[Description:]
-
-The {hybrid} style enables the use of multiple bond styles in one
-simulation.  A bond style is assigned to each bond type.  For example,
-bonds in a polymer flow (of bond type 1) could be computed with a
-{fene} potential and bonds in the wall boundary (of bond type 2) could
-be computed with a {harmonic} potential.  The assignment of bond type
-to style is made via the "bond_coeff"_bond_coeff.html command or in
-the data file.
-
-In the bond_coeff commands, the name of a bond style must be added
-after the bond type, with the remaining coefficients being those
-appropriate to that style.  In the example above, the 2 bond_coeff
-commands set bonds of bond type 1 to be computed with a {harmonic}
-potential with coefficients 80.0, 1.2 for K, r0.  All other bond types
-(2-N) are computed with a {fene} potential with coefficients 30.0,
-1.5, 1.0, 1.0 for K, R0, epsilon, sigma.
-
-If bond coefficients are specified in the data file read via the
-"read_data"_read_data.html command, then the same rule applies.
-E.g. "harmonic" or "fene" must be added after the bond type, for each
-line in the "Bond Coeffs" section, e.g.
-
-Bond Coeffs :pre
-
-1 harmonic 80.0 1.2
-2 fene 30.0 1.5 1.0 1.0
-... :pre
-
-A bond style of {none} with no additional coefficients can be used in
-place of a bond style, either in a input script bond_coeff command or
-in the data file, if you desire to turn off interactions for specific
-bond types.
-
-:line
-
-[Restrictions:]
-
-This bond style can only be used if LAMMPS was built with the MOLECULE
-package.  See the "Build package"_Build_package.html doc page for more
-info.
-
-Unlike other bond styles, the hybrid bond style does not store bond
-coefficient info for individual sub-styles in a "binary restart
-files"_restart.html.  Thus when restarting a simulation from a restart
-file, you need to re-specify bond_coeff commands.
-
-[Related commands:]
-
-"bond_coeff"_bond_coeff.html, "delete_bonds"_delete_bonds.html
-
-[Default:] none
diff --git a/doc/txt/bond_mm3.txt b/doc/txt/bond_mm3.txt
deleted file mode 100644
index c3d0e39f52..0000000000
--- a/doc/txt/bond_mm3.txt
+++ /dev/null
@@ -1,58 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-bond_style mm3 command :h3
-
-[Syntax:]
-
-bond_style mm3 :pre
-
-[Examples:]
-
-bond_style mm3
-bond_coeff 1 100.0 107.0 :pre
-
-[Description:]
-
-The {mm3} bond style uses the potential that is anharmonic in the bond
-as defined in "(Allinger)"_#mm3-allinger1989
-
-:c,image(Eqs/bond_mm3.jpg)
-
-where r0 is the equilibrium value of the bond, and K is a
-prefactor. The anharmonic prefactors have units angstrom^(-n):
--2.55 angstrom^(-1) and (7/12)2.55^2 angstrom^(-2). The code takes
-care of the necessary unit conversion for these factors internally.
-Note that the MM3 papers contains an error in Eq (1):
-(7/12)2.55 should be replaced with (7/12)2.55^2
-
-The following coefficients must be defined for each bond type via the
-"bond_coeff"_bond_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-K (energy/distance^2)
-r0 (distance) :ul
-
-[Restrictions:]
-
-This bond style can only be used if LAMMPS was built with the
-USER_YAFF package.  See the "Build package"_Build_package.html doc
-page for more info.
-
-[Related commands:]
-
-"bond_coeff"_bond_coeff.html
-
-[Default:] none
-
-:line
-
-:link(mm3-allinger1989)
-[(Allinger)] Allinger, Yuh, Lii, JACS, 111(23), 8551-8566
-(1989),
diff --git a/doc/txt/bond_morse.txt b/doc/txt/bond_morse.txt
deleted file mode 100644
index 60fd16e17a..0000000000
--- a/doc/txt/bond_morse.txt
+++ /dev/null
@@ -1,73 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-bond_style morse command :h3
-bond_style morse/omp command :h3
-
-[Syntax:]
-
-bond_style morse :pre
-
-[Examples:]
-
-bond_style morse
-bond_coeff 5 1.0 2.0 1.2 :pre
-
-[Description:]
-
-The {morse} bond style uses the potential
-
-:c,image(Eqs/bond_morse.jpg)
-
-where r0 is the equilibrium bond distance, alpha is a stiffness
-parameter, and D determines the depth of the potential well.
-
-The following coefficients must be defined for each bond type via the
-"bond_coeff"_bond_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-D (energy)
-alpha (inverse distance)
-r0 (distance) :ul
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restrictions:]
-
-This bond style can only be used if LAMMPS was built with the MOLECULE
-package.  See the "Build package"_Build_package.html doc page for more
-info.
-
-[Related commands:]
-
-"bond_coeff"_bond_coeff.html, "delete_bonds"_delete_bonds.html
-
-[Default:] none
diff --git a/doc/txt/bond_none.txt b/doc/txt/bond_none.txt
deleted file mode 100644
index cace1919e1..0000000000
--- a/doc/txt/bond_none.txt
+++ /dev/null
@@ -1,34 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-bond_style none command :h3
-
-[Syntax:]
-
-bond_style none :pre
-
-[Examples:]
-
-bond_style none :pre
-
-[Description:]
-
-Using a bond style of none means bond forces and energies are not
-computed, even if pairs of bonded atoms were listed in the data file
-read by the "read_data"_read_data.html command.
-
-See the "bond_style zero"_bond_zero.html command for a way to
-calculate bond statistics, but compute no bond interactions.
-
-[Restrictions:] none
-
-[Related commands:] none
-
-"bond_style zero"_bond_zero.html
-
-[Default:] none
diff --git a/doc/txt/bond_nonlinear.txt b/doc/txt/bond_nonlinear.txt
deleted file mode 100644
index af51383213..0000000000
--- a/doc/txt/bond_nonlinear.txt
+++ /dev/null
@@ -1,78 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-bond_style nonlinear command :h3
-bond_style nonlinear/omp command :h3
-
-[Syntax:]
-
-bond_style nonlinear :pre
-
-[Examples:]
-
-bond_style nonlinear
-bond_coeff 2 100.0 1.1 1.4 :pre
-
-[Description:]
-
-The {nonlinear} bond style uses the potential
-
-:c,image(Eqs/bond_nonlinear.jpg)
-
-to define an anharmonic spring "(Rector)"_#Rector of equilibrium
-length r0 and maximum extension lamda.
-
-The following coefficients must be defined for each bond type via the
-"bond_coeff"_bond_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-epsilon (energy)
-r0 (distance)
-lamda (distance) :ul
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restrictions:]
-
-This bond style can only be used if LAMMPS was built with the MOLECULE
-package.  See the "Build package"_Build_package.html doc page for more
-info.
-
-[Related commands:]
-
-"bond_coeff"_bond_coeff.html, "delete_bonds"_delete_bonds.html
-
-[Default:] none
-
-:line
-
-:link(Rector)
-[(Rector)] Rector, Van Swol, Henderson, Molecular Physics, 82, 1009 (1994).
diff --git a/doc/txt/bond_oxdna.txt b/doc/txt/bond_oxdna.txt
deleted file mode 100644
index 88afe435e6..0000000000
--- a/doc/txt/bond_oxdna.txt
+++ /dev/null
@@ -1,99 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-bond_style oxdna/fene command :h3
-bond_style oxdna2/fene command :h3
-
-[Syntax:]
-
-bond_style oxdna/fene :pre
-bond_style oxdna2/fene :pre
-
-[Examples:]
-
-bond_style oxdna/fene
-bond_coeff * 2.0 0.25 0.7525 :pre
-
-bond_style oxdna2/fene
-bond_coeff * 2.0 0.25 0.7564 :pre
-
-[Description:]
-
-The {oxdna/fene} and {oxdna2/fene} bond styles use the potential
-
-:c,image(Eqs/bond_oxdna_fene.jpg)
-
-to define a modified finite extensible nonlinear elastic (FENE)
-potential "(Ouldridge)"_#oxdna_fene to model the connectivity of the
-phosphate backbone in the oxDNA force field for coarse-grained
-modelling of DNA.
-
-The following coefficients must be defined for the bond type via the
-"bond_coeff"_bond_coeff.html command as given in the above example, or
-in the data file or restart files read by the
-"read_data"_read_data.html or "read_restart"_read_restart.html
-commands:
-
-epsilon (energy)
-Delta (distance)
-r0 (distance) :ul
-
-NOTE: The oxDNA bond style has to be used together with the
-corresponding oxDNA pair styles for excluded volume interaction
-{oxdna/excv}, stacking {oxdna/stk}, cross-stacking {oxdna/xstk} and
-coaxial stacking interaction {oxdna/coaxstk} as well as
-hydrogen-bonding interaction {oxdna/hbond} (see also documentation of
-"pair_style oxdna/excv"_pair_oxdna.html). For the oxDNA2
-"(Snodin)"_#oxdna2 bond style the analogous pair styles and an
-additional Debye-Hueckel pair style {oxdna2/dh} have to be defined.
-The coefficients in the above example have to be kept fixed and cannot
-be changed without reparameterizing the entire model.
-
-Example input and data files for DNA duplexes can be found in
-examples/USER/cgdna/examples/oxDNA/ and /oxDNA2/.  A simple python
-setup tool which creates single straight or helical DNA strands, DNA
-duplexes or arrays of DNA duplexes can be found in
-examples/USER/cgdna/util/.
-
-Please cite "(Henrich)"_#Henrich2 and the relevant oxDNA articles in
-any publication that uses this implementation.  The article contains
-more information on the model, the structure of the input file, the
-setup tool and the performance of the LAMMPS-implementation of oxDNA.
-The preprint version of the article can be found
-"here"_PDF/USER-CGDNA.pdf.
-
-:line
-
-[Restrictions:]
-
-This bond style can only be used if LAMMPS was built with the
-USER-CGDNA package and the MOLECULE and ASPHERE package.  See the
-"Build package"_Build_package.html doc page for more info.
-
-[Related commands:]
-
-"pair_style oxdna/excv"_pair_oxdna.html, "pair_style
-oxdna2/excv"_pair_oxdna2.html, "fix
-nve/dotc/langevin"_fix_nve_dotc_langevin.html,
-"bond_coeff"_bond_coeff.html
-
-[Default:] none
-
-:line
-
-:link(Henrich2)
-[(Henrich)] O. Henrich, Y. A. Gutierrez-Fosado, T. Curk,
-T. E. Ouldridge, Eur. Phys. J. E 41, 57 (2018).
-
-:link(oxdna_fene)
-[(Ouldridge)] T.E. Ouldridge, A.A. Louis, J.P.K. Doye,
-J. Chem. Phys. 134, 085101 (2011).
-
-:link(oxdna2)
-[(Snodin)] B.E. Snodin, F. Randisi, M. Mosayebi, et al.,
-J. Chem. Phys. 142, 234901 (2015).
diff --git a/doc/txt/bond_quartic.txt b/doc/txt/bond_quartic.txt
deleted file mode 100644
index b7b1ee4ce6..0000000000
--- a/doc/txt/bond_quartic.txt
+++ /dev/null
@@ -1,112 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-bond_style quartic command :h3
-bond_style quartic/omp command :h3
-
-[Syntax:]
-
-bond_style quartic :pre
-
-[Examples:]
-
-bond_style quartic
-bond_coeff 2 1200 -0.55 0.25 1.3 34.6878 :pre
-
-[Description:]
-
-The {quartic} bond style uses the potential
-
-:c,image(Eqs/bond_quartic.jpg)
-
-to define a bond that can be broken as the simulation proceeds (e.g.
-due to a polymer being stretched).  The sigma and epsilon used in the
-LJ portion of the formula are both set equal to 1.0 by LAMMPS.
-
-The following coefficients must be defined for each bond type via the
-"bond_coeff"_bond_coeff.html command as in the example above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands:
-
-K (energy/distance^4)
-B1 (distance)
-B2 (distance)
-Rc (distance)
-U0 (energy) :ul
-
-This potential was constructed to mimic the FENE bond potential for
-coarse-grained polymer chains.  When monomers with sigma = epsilon =
-1.0 are used, the following choice of parameters gives a quartic
-potential that looks nearly like the FENE potential: K = 1200, B1 =
--0.55, B2 = 0.25, Rc = 1.3, and U0 = 34.6878.  Different parameters
-can be specified using the "bond_coeff"_bond_coeff.html command, but
-you will need to choose them carefully so they form a suitable bond
-potential.
-
-Rc is the cutoff length at which the bond potential goes smoothly to a
-local maximum.  If a bond length ever becomes > Rc, LAMMPS "breaks"
-the bond, which means two things.  First, the bond potential is turned
-off by setting its type to 0, and is no longer computed.  Second, a
-pairwise interaction between the two atoms is turned on, since they
-are no longer bonded.
-
-LAMMPS does the second task via a computational sleight-of-hand.  It
-subtracts the pairwise interaction as part of the bond computation.
-When the bond breaks, the subtraction stops.  For this to work, the
-pairwise interaction must always be computed by the
-"pair_style"_pair_style.html command, whether the bond is broken or
-not.  This means that "special_bonds"_special_bonds.html must be set
-to 1,1,1, as indicated as a restriction below.
-
-Note that when bonds are dumped to a file via the "dump
-local"_dump.html command, bonds with type 0 are not included.  The
-"delete_bonds"_delete_bonds.html command can also be used to query the
-status of broken bonds or permanently delete them, e.g.:
-
-delete_bonds all stats
-delete_bonds all bond 0 remove :pre
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restrictions:]
-
-This bond style can only be used if LAMMPS was built with the MOLECULE
-package.  See the "Build package"_Build_package.html doc page for more
-info.
-
-The {quartic} style requires that "special_bonds"_special_bonds.html
-parameters be set to 1,1,1.  Three- and four-body interactions (angle,
-dihedral, etc) cannot be used with {quartic} bonds.
-
-[Related commands:]
-
-"bond_coeff"_bond_coeff.html, "delete_bonds"_delete_bonds.html
-
-[Default:] none
diff --git a/doc/txt/bond_style.txt b/doc/txt/bond_style.txt
deleted file mode 100644
index aba6d3a778..0000000000
--- a/doc/txt/bond_style.txt
+++ /dev/null
@@ -1,115 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-bond_style command :h3
-
-[Syntax:]
-
-bond_style style args :pre
-
-style = {none} or {hybrid} or {class2} or {fene} or {fene/expand} or \
-        {harmonic} or {morse} or {nonlinear} or {quartic} :ul
-  args = none for any style except {hybrid}
-  {hybrid} args = list of one or more styles :pre
-
-[Examples:]
-
-bond_style harmonic
-bond_style fene
-bond_style hybrid harmonic fene :pre
-
-[Description:]
-
-Set the formula(s) LAMMPS uses to compute bond interactions between
-pairs of atoms.  In LAMMPS, a bond differs from a pairwise
-interaction, which are set via the "pair_style"_pair_style.html
-command.  Bonds are defined between specified pairs of atoms and
-remain in force for the duration of the simulation (unless the bond
-breaks which is possible in some bond potentials).  The list of bonded
-atoms is read in by a "read_data"_read_data.html or
-"read_restart"_read_restart.html command from a data or restart file.
-By contrast, pair potentials are typically defined between all pairs
-of atoms within a cutoff distance and the set of active interactions
-changes over time.
-
-Hybrid models where bonds are computed using different bond potentials
-can be setup using the {hybrid} bond style.
-
-The coefficients associated with a bond style can be specified in a
-data or restart file or via the "bond_coeff"_bond_coeff.html command.
-
-All bond potentials store their coefficient data in binary restart
-files which means bond_style and "bond_coeff"_bond_coeff.html commands
-do not need to be re-specified in an input script that restarts a
-simulation.  See the "read_restart"_read_restart.html command for
-details on how to do this.  The one exception is that bond_style
-{hybrid} only stores the list of sub-styles in the restart file; bond
-coefficients need to be re-specified.
-
-NOTE: When both a bond and pair style is defined, the
-"special_bonds"_special_bonds.html command often needs to be used to
-turn off (or weight) the pairwise interaction that would otherwise
-exist between 2 bonded atoms.
-
-In the formulas listed for each bond style, {r} is the distance
-between the 2 atoms in the bond.
-
-:line
-
-Here is an alphabetic list of bond styles defined in LAMMPS.  Click on
-the style to display the formula it computes and coefficients
-specified by the associated "bond_coeff"_bond_coeff.html command.
-
-Click on the style to display the formula it computes, any additional
-arguments specified in the bond_style command, and coefficients
-specified by the associated "bond_coeff"_bond_coeff.html command.
-
-There are also additional accelerated pair styles included in the
-LAMMPS distribution for faster performance on CPUs, GPUs, and KNLs.
-The individual style names on the "Commands bond"_Commands_bond.html
-doc page are followed by one or more of (g,i,k,o,t) to indicate which
-accelerated styles exist.
-
-"none"_bond_none.html - turn off bonded interactions
-"zero"_bond_zero.html - topology but no interactions
-"hybrid"_bond_hybrid.html - define multiple styles of bond interactions :ul
-
-"class2"_bond_class2.html - COMPASS (class 2) bond
-"fene"_bond_fene.html - FENE (finite-extensible non-linear elastic) bond
-"fene/expand"_bond_fene_expand.html - FENE bonds with variable size particles
-"gromos"_bond_gromos.html - GROMOS force field bond
-"harmonic"_bond_harmonic.html - harmonic bond
-"harmonic/shift"_bond_harmonic_shift.html - shifted harmonic bond
-"harmonic/shift/cut"_bond_harmonic_shift_cut.html - shifted harmonic bond with a cutoff
-"mm3"_bond_mm3.html - MM3 anharmonic bond
-"morse"_bond_morse.html - Morse bond
-"nonlinear"_bond_nonlinear.html - nonlinear bond
-"oxdna/fene"_bond_oxdna.html - modified FENE bond suitable for DNA modeling
-"oxdna2/fene"_bond_oxdna.html - same as oxdna but used with different pair styles
-"quartic"_bond_quartic.html - breakable quartic bond
-"table"_bond_table.html - tabulated by bond length :ul
-
-:line
-
-[Restrictions:]
-
-Bond styles can only be set for atom styles that allow bonds to be
-defined.
-
-Most bond styles are part of the MOLECULE package.  They are only
-enabled if LAMMPS was built with that package.  See the "Build
-package"_Build_package.html doc page for more info.  The doc pages for
-individual bond potentials tell if it is part of a package.
-
-[Related commands:]
-
-"bond_coeff"_bond_coeff.html, "delete_bonds"_delete_bonds.html
-
-[Default:]
-
-bond_style none
diff --git a/doc/txt/bond_table.txt b/doc/txt/bond_table.txt
deleted file mode 100644
index 7235214af0..0000000000
--- a/doc/txt/bond_table.txt
+++ /dev/null
@@ -1,163 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-bond_style table command :h3
-bond_style table/omp command :h3
-
-[Syntax:]
-
-bond_style table style N :pre
-
-style = {linear} or {spline} = method of interpolation
-N = use N values in table :ul
-
-[Examples:]
-
-bond_style table linear 1000
-bond_coeff 1 file.table ENTRY1 :pre
-
-[Description:]
-
-Style {table} creates interpolation tables of length {N} from bond
-potential and force values listed in a file(s) as a function of bond
-length.  The files are read by the "bond_coeff"_bond_coeff.html
-command.
-
-The interpolation tables are created by fitting cubic splines to the
-file values and interpolating energy and force values at each of {N}
-distances.  During a simulation, these tables are used to interpolate
-energy and force values as needed.  The interpolation is done in one
-of 2 styles: {linear} or {spline}.
-
-For the {linear} style, the bond length is used to find 2 surrounding
-table values from which an energy or force is computed by linear
-interpolation.
-
-For the {spline} style, a cubic spline coefficients are computed and
-stored at each of the {N} values in the table.  The bond length is
-used to find the appropriate set of coefficients which are used to
-evaluate a cubic polynomial which computes the energy or force.
-
-The following coefficients must be defined for each bond type via the
-"bond_coeff"_bond_coeff.html command as in the example above.
-
-filename
-keyword :ul
-
-The filename specifies a file containing tabulated energy and force
-values.  The keyword specifies a section of the file.  The format of
-this file is described below.
-
-:line
-
-The format of a tabulated file is as follows (without the
-parenthesized comments):
-
-# Bond potential for harmonic (one or more comment or blank lines) :pre
-
-HAM                           (keyword is the first text on line)
-N 101 FP 0 0 EQ 0.5           (N, FP, EQ  parameters)
-                              (blank line)
-1 0.00 338.0000 1352.0000     (index, bond-length, energy, force)
-2 0.01 324.6152 1324.9600
-...
-101 1.00 338.0000 -1352.0000 :pre
-
-A section begins with a non-blank line whose 1st character is not a
-"#"; blank lines or lines starting with "#" can be used as comments
-between sections.  The first line begins with a keyword which
-identifies the section.  The line can contain additional text, but the
-initial text must match the argument specified in the
-"bond_coeff"_bond_coeff.html command.  The next line lists (in any
-order) one or more parameters for the table.  Each parameter is a
-keyword followed by one or more numeric values.
-
-The parameter "N" is required and its value is the number of table
-entries that follow.  Note that this may be different than the {N}
-specified in the "bond_style table"_bond_style.html command.  Let
-Ntable = {N} in the bond_style command, and Nfile = "N" in the
-tabulated file.  What LAMMPS does is a preliminary interpolation by
-creating splines using the Nfile tabulated values as nodal points.  It
-uses these to interpolate as needed to generate energy and force
-values at Ntable different points.  The resulting tables of length
-Ntable are then used as described above, when computing energy and
-force for individual bond lengths.  This means that if you want the
-interpolation tables of length Ntable to match exactly what is in the
-tabulated file (with effectively no preliminary interpolation), you
-should set Ntable = Nfile.
-
-The "FP" parameter is optional.  If used, it is followed by two values
-fplo and fphi, which are the derivatives of the force at the innermost
-and outermost bond lengths.  These values are needed by the spline
-construction routines.  If not specified by the "FP" parameter, they
-are estimated (less accurately) by the first two and last two force
-values in the table.
-
-The "EQ" parameter is also optional.  If used, it is followed by a the
-equilibrium bond length, which is used, for example, by the "fix
-shake"_fix_shake.html command.  If not used, the equilibrium bond
-length is to the distance in the table with the lowest potential energy.
-
-Following a blank line, the next N lines list the tabulated values.
-On each line, the 1st value is the index from 1 to N, the 2nd value is
-the bond length r (in distance units), the 3rd value is the energy (in
-energy units), and the 4th is the force (in force units).  The bond
-lengths must range from a LO value to a HI value, and increase from
-one line to the next.  If the actual bond length is ever smaller than
-the LO value or larger than the HI value, then the bond energy and
-force is evaluated as if the bond were the LO or HI length.
-
-Note that one file can contain many sections, each with a tabulated
-potential.  LAMMPS reads the file section by section until it finds
-one that matches the specified keyword.
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restart info:]
-
-This bond style writes the settings for the "bond_style table"
-command to "binary restart files"_restart.html, so a bond_style
-command does not need to specified in an input script that reads a
-restart file.  However, the coefficient information is not stored in
-the restart file, since it is tabulated in the potential files.  Thus,
-bond_coeff commands do need to be specified in the restart input
-script.
-
-[Restrictions:]
-
-This bond style can only be used if LAMMPS was built with the MOLECULE
-package.  See the "Build package"_Build_package.html doc page for more
-info.
-
-[Related commands:]
-
-"bond_coeff"_bond_coeff.html, "delete_bonds"_delete_bonds.html
-
-[Default:] none
diff --git a/doc/txt/bond_write.txt b/doc/txt/bond_write.txt
deleted file mode 100644
index 711bd2c296..0000000000
--- a/doc/txt/bond_write.txt
+++ /dev/null
@@ -1,64 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-bond_write command :h3
-
-[Syntax:]
-
-bond_write btype N inner outer file keyword itype jtype :pre
-
-btype = bond types
-N = # of values
-inner,outer = inner and outer bond length (distance units)
-file = name of file to write values to
-keyword = section name in file for this set of tabulated values
-itype,jtype = 2 atom types (optional)
-:ul
-
-[Examples:]
-
-bond_write 1 500 0.5 3.5 table.txt Harmonic_1
-bond_write 3 1000 0.1 6.0 table.txt Morse :pre
-
-[Description:]
-
-Write energy and force values to a file as a function of distance for
-the currently defined bond potential.  This is useful for plotting the
-potential function or otherwise debugging its values.  If the file
-already exists, the table of values is appended to the end of the file
-to allow multiple tables of energy and force to be included in one
-file.
-
-The energy and force values are computed at distances from inner to
-outer for 2 interacting atoms forming a bond of type btype, using the
-appropriate "bond_coeff"_bond_coeff.html coefficients. N evenly spaced
-distances are used.
-
-For example, for N = 7, inner = 1.0, and outer = 4.0,
-values are computed at r = 1.0, 1.5, 2.0, 2.5, 3.0, 3.5, 4.0.
-
-The file is written in the format used as input for the
-"bond_style"_bond_style.html {table} option with {keyword} as the
-section name.  Each line written to the file lists an index number
-(1-N), a distance (in distance units), an energy (in energy units),
-and a force (in force units).
-
-[Restrictions:]
-
-All force field coefficients for bond and other kinds of interactions
-must be set before this command can be invoked.
-
-Due to how the bond force is computed, an inner value > 0.0 must
-be specified even if the potential has a finite value at r = 0.0.
-
-[Related commands:]
-
-"bond_style table"_bond_table.html,
-"bond_style"_bond_style.html, "bond_coeff"_bond_coeff.html
-
-[Default:] none
diff --git a/doc/txt/bond_zero.txt b/doc/txt/bond_zero.txt
deleted file mode 100644
index 554f26e7f0..0000000000
--- a/doc/txt/bond_zero.txt
+++ /dev/null
@@ -1,48 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-bond_style zero command :h3
-
-[Syntax:]
-
-bond_style zero {nocoeff} :pre
-
-[Examples:]
-
-bond_style zero
-bond_style zero nocoeff
-bond_coeff *
-bond_coeff * 2.14 :pre
-
-[Description:]
-
-Using an bond style of zero means bond forces and energies are not
-computed, but the geometry of bond pairs is still accessible to other
-commands.
-
-As an example, the "compute bond/local"_compute_bond_local.html
-command can be used to compute distances for the list of pairs of bond
-atoms listed in the data file read by the "read_data"_read_data.html
-command.  If no bond style is defined, this command cannot be used.
-
-The optional {nocoeff} flag allows to read data files with a BondCoeff
-section for any bond style. Similarly, any bond_coeff commands
-will only be checked for the bond type number and the rest ignored.
-
-Note that the "bond_coeff"_bond_coeff.html command must be used for
-all bond types. If specified, there can be only one value, which is
-going to be used to assign an equilibrium distance, e.g. for use with
-"fix shake"_fix_shake.html.
-
-[Restrictions:] none
-
-[Related commands:]
-
-"bond_style none"_bond_none.html
-
-[Default:] none
diff --git a/doc/txt/compute.txt b/doc/txt/compute.txt
index 2d6d26ff16..7b6274d21a 100644
--- a/doc/txt/compute.txt
+++ b/doc/txt/compute.txt
@@ -182,6 +182,7 @@ compute"_Commands_compute.html doc page are followed by one or more of
 "bond"_compute_bond.html - energy of each bond sub-style
 "bond/local"_compute_bond_local.html - distance and energy of each bond
 "centro/atom"_compute_centro_atom.html - centro-symmetry parameter for each atom
+"centroid/stress/atom"_compute_stress_atom.html - centroid based stress tensor for each atom
 "chunk/atom"_compute_chunk_atom.html - assign chunk IDs to each atom
 "chunk/spread/atom"_compute_chunk_spread_atom.html - spreads chunk values to each atom in chunk
 "cluster/atom"_compute_cluster_atom.html - cluster ID for each atom
@@ -277,9 +278,10 @@ compute"_Commands_compute.html doc page are followed by one or more of
 "smd/ulsph/strain/rate"_compute_smd_ulsph_strain_rate.html -
 "smd/ulsph/stress"_compute_smd_ulsph_stress.html - per-particle Cauchy stress tensor and von Mises equivalent stress in Smooth Mach Dynamics
 "smd/vol"_compute_smd_vol.html - per-particle volumes and their sum in Smooth Mach Dynamics
-"sna/atom"_compute_sna_atom.html - calculate bispectrum coefficients for each atom
-"snad/atom"_compute_sna_atom.html - derivative of bispectrum coefficients for each atom
-"snav/atom"_compute_sna_atom.html - virial contribution from bispectrum coefficients for each atom
+"snap"_compute_sna_atom.html - bispectrum components and related quantities for a group of atoms
+"sna/atom"_compute_sna_atom.html - bispectrum components for each atom
+"snad/atom"_compute_sna_atom.html - derivative of bispectrum components for each atom
+"snav/atom"_compute_sna_atom.html - virial contribution from bispectrum components for each atom
 "spin"_compute_spin.html - magnetic quantities for a system of atoms having spins
 "stress/atom"_compute_stress_atom.html - stress tensor for each atom
 "stress/mop"_compute_stress_mop.html - normal components of the local stress tensor using the method of planes
diff --git a/doc/txt/compute_heat_flux.txt b/doc/txt/compute_heat_flux.txt
deleted file mode 100644
index edd46f7587..0000000000
--- a/doc/txt/compute_heat_flux.txt
+++ /dev/null
@@ -1,192 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-compute heat/flux command :h3
-
-[Syntax:]
-
-compute ID group-ID heat/flux ke-ID pe-ID stress-ID :pre
-
-ID, group-ID are documented in "compute"_compute.html command
-heat/flux = style name of this compute command
-ke-ID = ID of a compute that calculates per-atom kinetic energy
-pe-ID = ID of a compute that calculates per-atom potential energy
-stress-ID = ID of a compute that calculates per-atom stress :ul
-
-[Examples:]
-
-compute myFlux all heat/flux myKE myPE myStress :pre
-
-[Description:]
-
-Define a computation that calculates the heat flux vector based on
-contributions from atoms in the specified group.  This can be used by
-itself to measure the heat flux through a set of atoms (e.g. a region
-between two thermostatted reservoirs held at different temperatures),
-or to calculate a thermal conductivity using the equilibrium
-Green-Kubo formalism.
-
-For other non-equilibrium ways to compute a thermal conductivity, see
-the "Howto kappa"_Howto_kappa.html doc page..  These include use of
-the "fix thermal/conductivity"_fix_thermal_conductivity.html command
-for the Muller-Plathe method.  Or the "fix heat"_fix_heat.html command
-which can add or subtract heat from groups of atoms.
-
-The compute takes three arguments which are IDs of other
-"computes"_compute.html.  One calculates per-atom kinetic energy
-({ke-ID}), one calculates per-atom potential energy ({pe-ID)}, and the
-third calculates per-atom stress ({stress-ID}).
-
-NOTE: These other computes should provide values for all the atoms in
-the group this compute specifies.  That means the other computes could
-use the same group as this compute, or they can just use group "all"
-(or any group whose atoms are superset of the atoms in this compute's
-group).  LAMMPS does not check for this.
-
-The Green-Kubo formulas relate the ensemble average of the
-auto-correlation of the heat flux J to the thermal conductivity kappa:
-
-:c,image(Eqs/heat_flux_J.jpg)
-
-:c,image(Eqs/heat_flux_k.jpg)
-
-Ei in the first term of the equation for J is the per-atom energy
-(potential and kinetic).  This is calculated by the computes {ke-ID}
-and {pe-ID}.  Si in the second term of the equation for J is the
-per-atom stress tensor calculated by the compute {stress-ID}.  The
-tensor multiplies Vi as a 3x3 matrix-vector multiply to yield a
-vector.  Note that as discussed below, the 1/V scaling factor in the
-equation for J is NOT included in the calculation performed by this
-compute; you need to add it for a volume appropriate to the atoms
-included in the calculation.
-
-NOTE: The "compute pe/atom"_compute_pe_atom.html and "compute
-stress/atom"_compute_stress_atom.html commands have options for which
-terms to include in their calculation (pair, bond, etc).  The heat
-flux calculation will thus include exactly the same terms.  Normally
-you should use "compute stress/atom virial"_compute_stress_atom.html
-so as not to include a kinetic energy term in the heat flux.
-
-This compute calculates 6 quantities and stores them in a 6-component
-vector.  The first 3 components are the x, y, z components of the full
-heat flux vector, i.e. (Jx, Jy, Jz).  The next 3 components are the x,
-y, z components of just the convective portion of the flux, i.e. the
-first term in the equation for J above.
-
-:line
-
-The heat flux can be output every so many timesteps (e.g. via the
-"thermo_style custom"_thermo_style.html command).  Then as a
-post-processing operation, an auto-correlation can be performed, its
-integral estimated, and the Green-Kubo formula above evaluated.
-
-The "fix ave/correlate"_fix_ave_correlate.html command can calculate
-the auto-correlation.  The trap() function in the
-"variable"_variable.html command can calculate the integral.
-
-An example LAMMPS input script for solid Ar is appended below.  The
-result should be: average conductivity ~0.29 in W/mK.
-
-:line
-
-[Output info:]
-
-This compute calculates a global vector of length 6 (total heat flux
-vector, followed by convective heat flux vector), which can be
-accessed by indices 1-6.  These values can be used by any command that
-uses global vector values from a compute as input.  See the "Howto
-output"_Howto_output.html doc page for an overview of LAMMPS output
-options.
-
-The vector values calculated by this compute are "extensive", meaning
-they scale with the number of atoms in the simulation.  They can be
-divided by the appropriate volume to get a flux, which would then be
-an "intensive" value, meaning independent of the number of atoms in
-the simulation.  Note that if the compute is "all", then the
-appropriate volume to divide by is the simulation box volume.
-However, if a sub-group is used, it should be the volume containing
-those atoms.
-
-The vector values will be in energy*velocity "units"_units.html.  Once
-divided by a volume the units will be that of flux, namely
-energy/area/time "units"_units.html
-
-[Restrictions:] none
-
-[Related commands:]
-
-"fix thermal/conductivity"_fix_thermal_conductivity.html,
-"fix ave/correlate"_fix_ave_correlate.html,
-"variable"_variable.html
-
-[Default:] none
-
-:line
-
-# Sample LAMMPS input script for thermal conductivity of solid Ar :pre
-
-units       real
-variable    T equal 70
-variable    V equal vol
-variable    dt equal 4.0
-variable    p equal 200     # correlation length
-variable    s equal 10      # sample interval
-variable    d equal $p*$s   # dump interval :pre
-
-# convert from LAMMPS real units to SI :pre
-
-variable    kB equal 1.3806504e-23    # \[J/K\] Boltzmann
-variable    kCal2J equal 4186.0/6.02214e23
-variable    A2m equal 1.0e-10
-variable    fs2s equal 1.0e-15
-variable    convert equal $\{kCal2J\}*$\{kCal2J\}/$\{fs2s\}/$\{A2m\} :pre
-
-# setup problem :pre
-
-dimension    3
-boundary     p p p
-lattice      fcc 5.376 orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
-region       box block 0 4 0 4 0 4
-create_box   1 box
-create_atoms 1 box
-mass         1 39.948
-pair_style   lj/cut 13.0
-pair_coeff   * * 0.2381 3.405
-timestep     $\{dt\}
-thermo       $d :pre
-
-# equilibration and thermalization :pre
-
-velocity     all create $T 102486 mom yes rot yes dist gaussian
-fix          NVT all nvt temp $T $T 10 drag 0.2
-run          8000 :pre
-
-# thermal conductivity calculation, switch to NVE if desired :pre
-
-#unfix       NVT
-#fix         NVE all nve :pre
-
-reset_timestep 0
-compute      myKE all ke/atom
-compute      myPE all pe/atom
-compute      myStress all stress/atom NULL virial
-compute      flux all heat/flux myKE myPE myStress
-variable     Jx equal c_flux\[1\]/vol
-variable     Jy equal c_flux\[2\]/vol
-variable     Jz equal c_flux\[3\]/vol
-fix          JJ all ave/correlate $s $p $d &
-             c_flux\[1\] c_flux\[2\] c_flux\[3\] type auto file J0Jt.dat ave running
-variable     scale equal $\{convert\}/$\{kB\}/$T/$T/$V*$s*$\{dt\}
-variable     k11 equal trap(f_JJ\[3\])*$\{scale\}
-variable     k22 equal trap(f_JJ\[4\])*$\{scale\}
-variable     k33 equal trap(f_JJ\[5\])*$\{scale\}
-thermo_style custom step temp v_Jx v_Jy v_Jz v_k11 v_k22 v_k33
-run          100000
-variable     k equal (v_k11+v_k22+v_k33)/3.0
-variable     ndens equal count(all)/vol
-print        "average conductivity: $k\[W/mK\] @ $T K, $\{ndens\} /A^3" :pre
diff --git a/doc/txt/compute_sna_atom.txt b/doc/txt/compute_sna_atom.txt
index eab32d8757..0bf63019f9 100644
--- a/doc/txt/compute_sna_atom.txt
+++ b/doc/txt/compute_sna_atom.txt
@@ -9,12 +9,14 @@
 compute sna/atom command :h3
 compute snad/atom command :h3
 compute snav/atom command :h3
+compute snap command :h3
 
 [Syntax:]
 
 compute ID group-ID sna/atom rcutfac rfac0 twojmax R_1 R_2 ... w_1 w_2 ... keyword values ...
 compute ID group-ID snad/atom rcutfac rfac0 twojmax R_1 R_2 ... w_1 w_2 ... keyword values ...
-compute ID group-ID snav/atom rcutfac rfac0 twojmax R_1 R_2 ... w_1 w_2 ... keyword values ... :pre
+compute ID group-ID snav/atom rcutfac rfac0 twojmax R_1 R_2 ... w_1 w_2 ... keyword values ... 
+compute ID group-ID snap rcutfac rfac0 twojmax R_1 R_2 ... w_1 w_2 ... keyword values ... :pre
 
 ID, group-ID are documented in "compute"_compute.html command :ulb,l
 sna/atom = style name of this compute command :l
@@ -41,12 +43,17 @@ keyword = {rmin0} or {switchflag} or {bzeroflag} or {quadraticflag} :l
 
 compute b all sna/atom 1.4 0.99363 6 2.0 2.4 0.75 1.0 rmin0 0.0
 compute db all sna/atom 1.4 0.95 6 2.0 1.0
-compute vb all sna/atom 1.4 0.95 6 2.0 1.0 :pre
+compute vb all sna/atom 1.4 0.95 6 2.0 1.0
+compute snap all snap 1.4 0.95 6 2.0 1.0 :pre
 
 [Description:]
 
-Define a computation that calculates a set of bispectrum components
-for each atom in a group.
+Define a computation that calculates a set of quantities related to the
+bispectrum components of the atoms in a group. These computes are
+used primarily for calculating the dependence of energy, force, and
+stress components on the linear coefficients in the 
+"snap pair_style"_pair_snap.html, which is useful when training a
+SNAP potential to match target data.
 
 Bispectrum components of an atom are order parameters characterizing
 the radial and angular distribution of neighbor atoms. The detailed
@@ -130,6 +137,27 @@ Again, the sum is over all atoms {i'} of atom type {I}.  For each atom
 virial components, each atom type, and each bispectrum component.  See
 section below on output for a detailed explanation.
 
+Compute {snap} calculates a global array contains information related
+to all three of the above per-atom computes {sna/atom}, {snad/atom},
+and {snav/atom}. The first row of the array contains the summation of 
+{sna/atom} over all atoms, but broken out by type. The last six rows
+of the array contain the summation of {snav/atom} over all atoms, broken
+out by type. In between these are 3*{N} rows containing the same values
+computed by {snad/atom} (these are already summed over all atoms and
+broken out by type). The element in the last column of each row contains
+the potential energy, force, or stress, according to the row.
+These quantities correspond to the user-specified reference potential
+that must be subtracted from the target data when fitting SNAP.
+The potential energy calculation uses the built in compute {thermo_pe}.
+The stress calculation uses a compute called {snap_press} that is
+automatically created behind the scenes, according to the following
+command:
+
+compute snap_press all pressure NULL virial :pre
+
+See section below on output for a detailed explanation of the data
+layout in the global array.
+
 The value of all bispectrum components will be zero for atoms not in
 the group. Neighbor atoms not in the group do not contribute to the
 bispectrum of atoms in the group.
@@ -214,10 +242,25 @@ block contains six sub-blocks corresponding to the {xx}, {yy}, {zz},
 notation.  Each of these sub-blocks contains one column for each
 bispectrum component, the same as for compute {sna/atom}
 
+Compute {snap} evaluates a global array. 
+The columns are arranged into
+{ntypes} blocks, listed in order of atom type {I}. Each block
+contains one column for each bispectrum component, the same as for compute
+{sna/atom}. A final column contains the corresponding energy, force component
+on an atom, or virial stress component. The rows of the array appear 
+in the following order:
+
+   1 row: {sna/atom} quantities summed for all atoms of type {I}
+   3*{N} rows: {snad/atom} quantities, with derivatives w.r.t. x, y, and z coordinate of atom {i} appearing in consecutive rows. The atoms are sorted based on atom ID.
+   6 rows: {snav/atom} quantities summed for all atoms of type {I} :ul
+
 For example, if {K} =30 and ntypes=1, the number of columns in the per-atom
 arrays generated by {sna/atom}, {snad/atom}, and {snav/atom}
 are 30, 90, and 180, respectively. With {quadratic} value=1,
 the numbers of columns are 930, 2790, and 5580, respectively.
+The number of columns in the global array generated by {snap}
+are 31, and 931, respectively, while the number of rows is
+1+3*{N}+6, where {N} is the total number of atoms.
 
 If the {quadratic} keyword value is set to 1, then additional
 columns are generated, corresponding to
diff --git a/doc/txt/compute_spin.txt b/doc/txt/compute_spin.txt
deleted file mode 100644
index 0824a70dd0..0000000000
--- a/doc/txt/compute_spin.txt
+++ /dev/null
@@ -1,77 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-compute spin command :h3
-
-[Syntax:]
-
-compute ID group-ID spin :pre
-
-ID, group-ID are documented in "compute"_compute.html command
-spin = style name of this compute command :ul
-
-[Examples:]
-
-compute out_mag all spin :pre
-
-[Description:]
-
-Define a computation that calculates magnetic quantities for a system
-of atoms having spins.
-
-This compute calculates 6 magnetic quantities.
-
-The three first quantities are the x,y and z coordinates of the total
-magnetization.
-
-The fourth quantity is the norm of the total magnetization.
-
-The fifth quantity is the magnetic energy.
-
-The sixth one is referred to as the spin temperature, according
-to the work of "(Nurdin)"_#Nurdin1.
-
-The simplest way to output the results of the compute spin calculation
-is to define some of the quantities as variables, and to use the thermo and
-thermo_style commands, for example:
-
-compute out_mag         all spin :pre
-
-variable mag_z          equal c_out_mag\[3\]
-variable mag_norm       equal c_out_mag\[4\]
-variable temp_mag       equal c_out_mag\[6\] :pre
-
-thermo                  10
-thermo_style            custom step v_mag_z v_mag_norm v_temp_mag :pre
-
-This series of commands evaluates the total magnetization along z, the norm of
-the total magnetization, and the magnetic temperature. Three variables are
-assigned to those quantities. The thermo and thermo_style commands print them
-every 10 timesteps.
-
-[Output info:]
-
-The array values are "intensive".  The array values will be in
-metal units ("units"_units.html).
-
-[Restrictions:]
-
-The {spin} compute is part of the SPIN package.  This compute is only
-enabled if LAMMPS was built with this package.  See the "Build
-package"_Build_package.html doc page for more info.  The atom_style
-has to be "spin" for this compute to be valid.
-
-[Related commands:] none
-
-[Default:] none
-
-:line
-
-:link(Nurdin1)
-[(Nurdin)] Nurdin and Schotte Phys Rev E, 61(4), 3579 (2000)
-
diff --git a/doc/txt/compute_stress_atom.txt b/doc/txt/compute_stress_atom.txt
deleted file mode 100644
index d81d97061c..0000000000
--- a/doc/txt/compute_stress_atom.txt
+++ /dev/null
@@ -1,168 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-compute stress/atom command :h3
-
-[Syntax:]
-
-compute ID group-ID stress/atom temp-ID keyword ... :pre
-
-ID, group-ID are documented in "compute"_compute.html command
-stress/atom = style name of this compute command
-temp-ID = ID of compute that calculates temperature, can be NULL if not needed
-zero or more keywords may be appended
-keyword = {ke} or {pair} or {bond} or {angle} or {dihedral} or {improper} or {kspace} or {fix} or {virial} :ul
-
-[Examples:]
-
-compute 1 mobile stress/atom NULL
-compute 1 mobile stress/atom myRamp
-compute 1 all stress/atom NULL pair bond :pre
-
-[Description:]
-
-Define a computation that computes the symmetric per-atom stress
-tensor for each atom in a group.  The tensor for each atom has 6
-components and is stored as a 6-element vector in the following order:
-xx, yy, zz, xy, xz, yz.  See the "compute
-pressure"_compute_pressure.html command if you want the stress tensor
-(pressure) of the entire system.
-
-The stress tensor for atom {I} is given by the following formula,
-where {a} and {b} take on values x,y,z to generate the 6 components of
-the symmetric tensor:
-
-:c,image(Eqs/stress_tensor.jpg)
-
-The first term is a kinetic energy contribution for atom {I}.  See
-details below on how the specified {temp-ID} can affect the velocities
-used in this calculation.  The second term is a pairwise energy
-contribution where {n} loops over the {Np} neighbors of atom {I}, {r1}
-and {r2} are the positions of the 2 atoms in the pairwise interaction,
-and {F1} and {F2} are the forces on the 2 atoms resulting from the
-pairwise interaction.  The third term is a bond contribution of
-similar form for the {Nb} bonds which atom {I} is part of.  There are
-similar terms for the {Na} angle, {Nd} dihedral, and {Ni} improper
-interactions atom {I} is part of.  There is also a term for the KSpace
-contribution from long-range Coulombic interactions, if defined.
-Finally, there is a term for the {Nf} "fixes"_fix.html that apply
-internal constraint forces to atom {I}.  Currently, only the "fix
-shake"_fix_shake.html and "fix rigid"_fix_rigid.html commands
-contribute to this term.
-
-As the coefficients in the formula imply, a virial contribution
-produced by a small set of atoms (e.g. 4 atoms in a dihedral or 3
-atoms in a Tersoff 3-body interaction) is assigned in equal portions
-to each atom in the set.  E.g. 1/4 of the dihedral virial to each of
-the 4 atoms, or 1/3 of the fix virial due to SHAKE constraints applied
-to atoms in a water molecule via the "fix shake"_fix_shake.html
-command.
-
-If no extra keywords are listed, all of the terms in this formula are
-included in the per-atom stress tensor.  If any extra keywords are
-listed, only those terms are summed to compute the tensor.  The
-{virial} keyword means include all terms except the kinetic energy
-{ke}.
-
-Note that the stress for each atom is due to its interaction with all
-other atoms in the simulation, not just with other atoms in the group.
-
-Details of how LAMMPS computes the virial for individual atoms for
-either pairwise or many-body potentials, and including the effects of
-periodic boundary conditions is discussed in "(Thompson)"_#Thompson2.
-The basic idea for many-body potentials is to treat each component of
-the force computation between a small cluster of atoms in the same
-manner as in the formula above for bond, angle, dihedral, etc
-interactions.  Namely the quantity R dot F is summed over the atoms in
-the interaction, with the R vectors unwrapped by periodic boundaries
-so that the cluster of atoms is close together.  The total
-contribution for the cluster interaction is divided evenly among those
-atoms.
-
-The "dihedral_style charmm"_dihedral_charmm.html style calculates
-pairwise interactions between 1-4 atoms.  The virial contribution of
-these terms is included in the pair virial, not the dihedral virial.
-
-The KSpace contribution is calculated using the method in
-"(Heyes)"_#Heyes2 for the Ewald method and by the methodology described
-in "(Sirk)"_#Sirk1 for PPPM.  The choice of KSpace solver is specified
-by the "kspace_style pppm"_kspace_style.html command.  Note that for
-PPPM, the calculation requires 6 extra FFTs each timestep that
-per-atom stress is calculated.  Thus it can significantly increase the
-cost of the PPPM calculation if it is needed on a large fraction of
-the simulation timesteps.
-
-The {temp-ID} argument can be used to affect the per-atom velocities
-used in the kinetic energy contribution to the total stress.  If the
-kinetic energy is not included in the stress, than the temperature
-compute is not used and can be specified as NULL.  If the kinetic
-energy is included and you wish to use atom velocities as-is, then
-{temp-ID} can also be specified as NULL.  If desired, the specified
-temperature compute can be one that subtracts off a bias to leave each
-atom with only a thermal velocity to use in the formula above, e.g. by
-subtracting a background streaming velocity.  See the doc pages for
-individual "compute commands"_compute.html to determine which ones
-include a bias.
-
-:line
-
-Note that as defined in the formula, per-atom stress is the negative
-of the per-atom pressure tensor.  It is also really a stress*volume
-formulation, meaning the computed quantity is in units of
-pressure*volume.  It would need to be divided by a per-atom volume to
-have units of stress (pressure), but an individual atom's volume is
-not well defined or easy to compute in a deformed solid or a liquid.
-See the "compute voronoi/atom"_compute_voronoi_atom.html command for
-one possible way to estimate a per-atom volume.
-
-Thus, if the diagonal components of the per-atom stress tensor are
-summed for all atoms in the system and the sum is divided by dV, where
-d = dimension and V is the volume of the system, the result should be
--P, where P is the total pressure of the system.
-
-These lines in an input script for a 3d system should yield that
-result.  I.e. the last 2 columns of thermo output will be the same:
-
-compute        peratom all stress/atom NULL
-compute        p all reduce sum c_peratom\[1\] c_peratom\[2\] c_peratom\[3\]
-variable       press equal -(c_p\[1\]+c_p\[2\]+c_p\[3\])/(3*vol)
-thermo_style   custom step temp etotal press v_press :pre
-
-NOTE: The per-atom stress does not include any Lennard-Jones tail
-corrections to the pressure added by the "pair_modify tail
-yes"_pair_modify.html command, since those are contributions to the
-global system pressure.
-
-[Output info:]
-
-This compute calculates a per-atom array with 6 columns, which can be
-accessed by indices 1-6 by any command that uses per-atom values from
-a compute as input.  See the "Howto output"_Howto_output.html doc page
-for an overview of LAMMPS output options.
-
-The per-atom array values will be in pressure*volume
-"units"_units.html as discussed above.
-
-[Restrictions:] none
-
-[Related commands:]
-
-"compute pe"_compute_pe.html, "compute pressure"_compute_pressure.html
-
-[Default:] none
-
-:line
-
-:link(Heyes2)
-[(Heyes)] Heyes, Phys Rev B 49, 755 (1994),
-
-:link(Sirk1)
-[(Sirk)] Sirk, Moore, Brown, J Chem Phys, 138, 064505 (2013).
-
-:link(Thompson2)
-[(Thompson)] Thompson, Plimpton, Mattson, J Chem Phys, 131, 154107 (2009).
diff --git a/doc/txt/fix_precession_spin.txt b/doc/txt/fix_precession_spin.txt
deleted file mode 100644
index 040a3086d3..0000000000
--- a/doc/txt/fix_precession_spin.txt
+++ /dev/null
@@ -1,116 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-fix precession/spin command :h3
-
-[Syntax:]
-
-fix ID group precession/spin style args :pre
-
-ID, group are documented in "fix"_fix.html command :ulb,l
-precession/spin = style name of this fix command :l
-style = {zeeman} or {anisotropy} or {cubic} :l
-  {zeeman} args = H x y z
-    H = intensity of the magnetic field (in Tesla)
-    x y z = vector direction of the field
-  {anisotropy} args = K x y z
-    K = intensity of the magnetic anisotropy (in eV)
-    x y z = vector direction of the anisotropy :pre
-  {cubic} args = K1 K2c n1x n1y n1x n2x n2y n2z n3x n3y n3z
-    K1 and K2c = intensity of the magnetic anisotropy (in eV)
-    n1x to n3z = three direction vectors of the cubic anisotropy :pre
-:ule
-
-[Examples:]
-
-fix 1 all precession/spin zeeman 0.1 0.0 0.0 1.0
-fix 1 3 precession/spin anisotropy 0.001 0.0 0.0 1.0
-fix 1 iron precession/spin cubic 0.001 0.0005 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0
-fix 1 all precession/spin zeeman 0.1 0.0 0.0 1.0 anisotropy 0.001 0.0 0.0 1.0 :pre
-
-[Description:]
-
-This fix applies a precession torque to each magnetic spin in the group.
-
-Style {zeeman} is used for the simulation of the interaction
-between the magnetic spins in the defined group and an external
-magnetic field:
-
-:c,image(Eqs/force_spin_zeeman.jpg)
-
-with mu0 the vacuum permeability, muB the Bohr magneton (muB = 5.788 eV/T
-in metal units).
-
-Style {anisotropy} is used to simulate an easy axis or an easy plane
-for the magnetic spins in the defined group:
-
-:c,image(Eqs/force_spin_aniso.jpg)
-
-with n defining the direction of the anisotropy, and K (in eV) its intensity.
-If K>0, an easy axis is defined, and if K<0, an easy plane is defined.
-
-Style {cubic} is used to simulate a cubic anisotropy, with three
-possible easy axis for the magnetic spins in the defined group:
-
-:c,image(Eqs/fix_spin_cubic.jpg)
-
-with K1 and K2c (in eV) the intensity coefficients and
-n1, n2 and n3 defining the three anisotropic directions
-defined by the command (from n1x to n3z).
-For n1 = (100), n2 = (010), and n3 = (001), K1 < 0 defines an
-iron type anisotropy (easy axis along the (001)-type cube
-edges), and K1 > 0 defines a nickel type anisotropy (easy axis
-along the (111)-type cube diagonals).
-K2^c > 0 also defines easy axis along the (111)-type cube
-diagonals.
-See chapter 2 of "(Skomski)"_#Skomski1 for more details on cubic
-anisotropies.
-
-In all cases, the choice of (x y z) only imposes the vector
-directions for the forces. Only the direction of the vector is
-important; it's length is ignored (the entered vectors are
-normalized).
-
-Those styles can be combined within one single command line.
-
-:line
-
-[Restart, fix_modify, output, run start/stop, minimize info:]
-
-By default, the energy associated to this fix is not added to the potential
-energy of the system.
-The "fix_modify"_fix_modify.html {energy} option is supported by this fix
-to add this magnetic potential energy to the potential energy of the system,
-
-fix             1 all precession/spin zeeman 1.0 0.0 0.0 1.0
-fix_modify      1 energy yes :pre
-
-This fix computes a global scalar which can be accessed by various
-"output commands"_Howto_output.html.
-
-No information about this fix is written to "binary restart
-files"_restart.html.
-
-[Restrictions:]
-
-The {precession/spin} style is part of the SPIN package.  This style
-is only enabled if LAMMPS was built with this package, and if the
-atom_style "spin" was declared.  See the "Build
-package"_Build_package.html doc page for more info.
-
-[Related commands:]
-
-"atom_style spin"_atom_style.html
-
-[Default:] none
-
-:line
-
-:link(Skomski1)
-[(Skomski)] Skomski, R. (2008). Simple models of magnetism.
-Oxford University Press.
diff --git a/doc/txt/fix_restrain.txt b/doc/txt/fix_restrain.txt
deleted file mode 100644
index 8e962f4cc9..0000000000
--- a/doc/txt/fix_restrain.txt
+++ /dev/null
@@ -1,209 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-fix restrain command :h3
-
-[Syntax:]
-
-fix ID group-ID restrain keyword args ... :pre
-
-ID, group-ID are documented in "fix"_fix.html command :ulb,l
-restrain = style name of this fix command :l
-one or more keyword/arg pairs may be appended :l
-keyword = {bond} or {angle} or {dihedral} :l
-  {bond} args = atom1 atom2 Kstart Kstop r0
-    atom1,atom2 = IDs of 2 atoms in bond
-    Kstart,Kstop = restraint coefficients at start/end of run (energy units)
-    r0 = equilibrium bond distance (distance units)
-  {angle} args = atom1 atom2 atom3 Kstart Kstop theta0
-    atom1,atom2,atom3 = IDs of 3 atoms in angle, atom2 = middle atom
-    Kstart,Kstop = restraint coefficients at start/end of run (energy units)
-    theta0 = equilibrium angle theta (degrees)
-  {dihedral} args = atom1 atom2 atom3 atom4 Kstart Kstop phi0 keyword/value
-    atom1,atom2,atom3,atom4 = IDs of 4 atoms in dihedral in linear order
-    Kstart,Kstop = restraint coefficients at start/end of run (energy units)
-    phi0 = equilibrium dihedral angle phi (degrees)
-    keyword/value = optional keyword value pairs. supported keyword/value pairs:
-      {mult} n = dihedral multiplicity n (integer >= 0, default = 1) :pre
-:ule
-
-[Examples:]
-
-fix holdem all restrain bond 45 48 2000.0 2000.0 2.75
-fix holdem all restrain dihedral 1 2 3 4 2000.0 2000.0 120.0
-fix holdem all restrain bond 45 48 2000.0 2000.0 2.75 dihedral 1 2 3 4 2000.0 2000.0 120.0
-fix texas_holdem all restrain dihedral 1 2 3 4 0.0 2000.0 120.0 dihedral 1 2 3 5 0.0 2000.0 -120.0 dihedral 1 2 3 6 0.0 2000.0 0.0 :pre
-
-[Description:]
-
-Restrain the motion of the specified sets of atoms by making them part
-of a bond or angle or dihedral interaction whose strength can vary
-over time during a simulation.  This is functionally similar to
-creating a bond or angle or dihedral for the same atoms in a data
-file, as specified by the "read_data"_read_data.html command, albeit
-with a time-varying pre-factor coefficient, and except for exclusion
-rules, as explained below.
-
-For the purpose of force field parameter-fitting or mapping a molecular
-potential energy surface, this fix reduces the hassle and risk
-associated with modifying data files.  In other words, use this fix to
-temporarily force a molecule to adopt a particular conformation.  To
-create a permanent bond or angle or dihedral, you should modify the
-data file.
-
-NOTE: Adding a bond/angle/dihedral with this command does not apply
-the exclusion rules and weighting factors specified by the
-"special_bonds"_special_bonds.html command to atoms in the restraint
-that are now bonded (1-2,1-3,1-4 neighbors) as a result.  If they are
-close enough to interact in a "pair_style"_pair_style.html sense
-(non-bonded interaction), then the bond/angle/dihedral restraint
-interaction will simply be superposed on top of that interaction.
-
-The group-ID specified by this fix is ignored.
-
-The second example above applies a restraint to hold the dihedral
-angle formed by atoms 1, 2, 3, and 4 near 120 degrees using a constant
-restraint coefficient.  The fourth example applies similar restraints
-to multiple dihedral angles using a restraint coefficient that
-increases from 0.0 to 2000.0 over the course of the run.
-
-NOTE: Adding a force to atoms implies a change in their potential
-energy as they move due to the applied force field.  For dynamics via
-the "run"_run.html command, this energy can be added to the system's
-potential energy for thermodynamic output (see below).  For energy
-minimization via the "minimize"_minimize.html command, this energy
-must be added to the system's potential energy to formulate a
-self-consistent minimization problem (see below).
-
-In order for a restraint to be effective, the restraint force must
-typically be significantly larger than the forces associated with
-conventional force field terms.  If the restraint is applied during a
-dynamics run (as opposed to during an energy minimization), a large
-restraint coefficient can significantly reduce the stable timestep
-size, especially if the atoms are initially far from the preferred
-conformation.  You may need to experiment to determine what value of K
-works best for a given application.
-
-For the case of finding a minimum energy structure for a single
-molecule with particular restraints (e.g. for fitting force field
-parameters or constructing a potential energy surface), commands such
-as the following may be useful:
-
-# minimize molecule energy with restraints
-velocity all create 600.0 8675309 mom yes rot yes dist gaussian
-fix NVE all nve
-fix TFIX all langevin 600.0 0.0 100 24601
-fix REST all restrain dihedral 2 1 3 8 0.0 5000.0 $\{angle1\} dihedral 3 1 2 9 0.0 5000.0 $\{angle2\}
-fix_modify REST energy yes
-run 10000
-fix TFIX all langevin 0.0 0.0 100 24601
-fix REST all restrain dihedral 2 1 3 8 5000.0 5000.0 $\{angle1\} dihedral 3 1 2 9 5000.0 5000.0 $\{angle2\}
-fix_modify REST energy yes
-run 10000
-# sanity check for convergence
-minimize 1e-6 1e-9 1000 100000
-# report unrestrained energies
-unfix REST
-run 0 :pre
-
-:line
-
-The {bond} keyword applies a bond restraint to the specified atoms
-using the same functional form used by the "bond_style
-harmonic"_bond_harmonic.html command.  The potential associated with
-the restraint is
-
-:c,image(Eqs/bond_harmonic.jpg)
-
-with the following coefficients:
-
-K (energy/distance^2)
-r0 (distance) :ul
-
-K and r0 are specified with the fix.  Note that the usual 1/2 factor
-is included in K.
-
-:line
-
-The {angle} keyword applies an angle restraint to the specified atoms
-using the same functional form used by the "angle_style
-harmonic"_angle_harmonic.html command.  The potential associated with
-the restraint is
-
-:c,image(Eqs/angle_harmonic.jpg)
-
-with the following coefficients:
-
-K (energy/radian^2)
-theta0 (degrees) :ul
-
-K and theta0 are specified with the fix.  Note that the usual 1/2
-factor is included in K.
-
-:line
-
-The {dihedral} keyword applies a dihedral restraint to the specified
-atoms using a simplified form of the function used by the
-"dihedral_style charmm"_dihedral_charmm.html command.  The potential
-associated with the restraint is
-
-:c,image(Eqs/dihedral_charmm.jpg)
-
-with the following coefficients:
-
-K (energy)
-n (multiplicity, >= 0)
-d (degrees) = phi0 + 180 :ul
-
-K and phi0 are specified with the fix.  Note that the value of the
-dihedral multiplicity {n} is set by default to 1. You can use the
-optional {mult} keyword to set it to a different positive integer.
-Also note that the energy will be a minimum when the
-current dihedral angle phi is equal to phi0.
-
-:line
-
-[Restart, fix_modify, output, run start/stop, minimize info:]
-
-No information about this fix is written to "binary restart
-files"_restart.html.
-
-The "fix_modify"_fix_modify.html {energy} option is supported by this
-fix to add the potential energy associated with this fix to the
-system's potential energy as part of "thermodynamic
-output"_thermo_style.html.
-
-The "fix_modify"_fix_modify.html {respa} option is supported by this
-fix. This allows to set at which level of the "r-RESPA"_run_style.html
-integrator the fix is adding its forces. Default is the outermost level.
-
-NOTE: If you want the fictitious potential energy associated with the
-added forces to be included in the total potential energy of the
-system (the quantity being minimized), you MUST enable the
-"fix_modify"_fix_modify.html {energy} option for this fix.
-
-This fix computes a global scalar and a global vector of length 3,
-which can be accessed by various "output commands"_Howto_output.html.
-The scalar is the total potential energy for {all} the restraints as
-discussed above. The vector values are the sum of contributions to the
-following individual categories:
-
-1 = bond energy
-2 = angle energy
-3 = dihedral energy :ul
-
-The scalar and vector values calculated by this fix are "extensive".
-
-No parameter of this fix can be used with the {start/stop} keywords of
-the "run"_run.html command.
-
-[Restrictions:] none
-
-[Related commands:] none
-
-[Default:] none
diff --git a/doc/txt/pair_agni.txt b/doc/txt/pair_agni.txt
index 8cb1bf34e4..aae9c161ca 100644
--- a/doc/txt/pair_agni.txt
+++ b/doc/txt/pair_agni.txt
@@ -97,8 +97,11 @@ This pair style can only be used via the {pair} keyword of the
 [Restrictions:]
 
 Currently, only elemental systems are implemented. Also, the method
-only provides access to the forces and not energies or
-stresses. However, one can access the energy via thermodynamic
+only provides access to the forces and not energies or stresses.
+The lack of potential energy data makes this pair style incompatible with
+several of the "minimizer algorthms"_min_style.html like {cg} or {sd}.
+It should work with damped dynamics based minimizers like {fire} or
+{quickmin}.  However, one can access the energy via thermodynamic
 integration of the forces as discussed in
 "(Botu3)"_#Botu2016construct.  This pair style is part of the
 USER-MISC package. It is only enabled if LAMMPS was built with that
diff --git a/doc/txt/pair_list.txt b/doc/txt/pair_list.txt
deleted file mode 100644
index 9500a4c508..0000000000
--- a/doc/txt/pair_list.txt
+++ /dev/null
@@ -1,144 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-pair_style list command :h3
-
-[Syntax:]
-
-pair_style list listfile cutoff keyword :pre
-
-listfile = name of file with list of pairwise interactions
-cutoff = global cutoff (distance units)
-keyword = optional flag {nocheck} or {check} (default is {check}) :ul
-
-[Examples:]
-
-pair_style list restraints.txt 200.0
-pair_coeff * * :pre
-
-pair_style hybrid/overlay lj/cut 1.1225 list pair_list.txt 300.0
-pair_coeff * * lj/cut 1.0 1.0
-pair_coeff 3* 3* list :pre
-
-[Description:]
-
-Style {list} computes interactions between explicitly listed pairs of
-atoms with the option to select functional form and parameters for
-each individual pair.  Because the parameters are set in the list
-file, the pair_coeff command has no parameters (but still needs to be
-provided).  The {check} and {nocheck} keywords enable/disable a test
-that checks whether all listed bonds were present and computed.
-
-This pair style can be thought of as a hybrid between bonded,
-non-bonded, and restraint interactions.  It will typically be used as
-an additional interaction within the {hybrid/overlay} pair style.  It
-currently supports three interaction styles: a 12-6 Lennard-Jones, a
-Morse and a harmonic potential.
-
-The format of the list file is as follows:
-
-one line per pair of atoms :ulb,l
-empty lines will be ignored :l
-comment text starts with a '#' character :l
-line syntax: {ID1 ID2 style coeffs cutoff} :l
-  ID1 = atom ID of first atom
-  ID2 = atom ID of second atom
-  style = style of interaction
-  coeffs = list of coeffs
-  cutoff = cutoff for interaction (optional) :pre
-:ule
-
-The cutoff parameter is optional. If not specified, the global cutoff
-is used.
-
-Here is an example file:
-
-# this is a comment :pre
-
-15 259 lj126     1.0 1.0      50.0
-15 603 morse    10.0 1.2 2.0  10.0 # and another comment
-18 470 harmonic 50.0 1.2       5.0  :pre
-
-The style {lj126} computes pairwise interactions with the formula
-
-:c,image(Eqs/pair_lj.jpg)
-
-and the coefficients:
-
-epsilon (energy units)
-sigma (distance units) :ul
-
-The style {morse} computes pairwise interactions with the formula
-
-:c,image(Eqs/pair_morse.jpg)
-
-and the coefficients:
-
-D0 (energy units)
-alpha (1/distance units)
-r0 (distance units) :ul
-
-The style {harmonic} computes pairwise interactions with the formula
-
-:c,image(Eqs/bond_harmonic.jpg)
-
-and the coefficients:
-
-K (energy units)
-r0 (distance units) :ul
-
-Note that the usual 1/2 factor is included in K.
-
-:line
-
-[Mixing, shift, table, tail correction, restart, rRESPA info]:
-
-This pair style does not support mixing since all parameters are
-explicit for each pair.
-
-The "pair_modify"_pair_modify.html shift option is supported by this
-pair style.
-
-The "pair_modify"_pair_modify.html table and tail options are not
-relevant for this pair style.
-
-This pair style does not write its information to "binary restart
-files"_restart.html, so pair_style and pair_coeff commands need
-to be specified in an input script that reads a restart file.
-
-This pair style can only be used via the {pair} keyword of the
-"run_style respa"_run_style.html command.  It does not support the
-{inner}, {middle}, {outer} keywords.
-
-:line
-
-[Restrictions:]
-
-This pair style does not use a neighbor list and instead identifies
-atoms by their IDs. This has two consequences: 1) The cutoff has to be
-chosen sufficiently large, so that the second atom of a pair has to be
-a ghost atom on the same node on which the first atom is local;
-otherwise the interaction will be skipped. You can use the {check}
-option to detect, if interactions are missing. 2) Unlike other pair
-styles in LAMMPS, an atom I will not interact with multiple images of
-atom J (assuming the images are within the cutoff distance), but only
-with the nearest image.
-
-This style is part of the USER-MISC package. It is only enabled if
-LAMMPS is build with that package. See the "Build
-package"_Build_package.html doc page on for more info.
-
-[Related commands:]
-
-"pair_coeff"_pair_coeff.html,
-"pair_style hybrid/overlay"_pair_hybrid.html,
-"pair_style lj/cut"_pair_lj.html,
-"pair_style morse"_pair_morse.html,
-"bond_style harmonic"_bond_harmonic.html
-
-[Default:] none
diff --git a/doc/txt/pair_spin_exchange.txt b/doc/txt/pair_spin_exchange.txt
deleted file mode 100644
index 76a6d508d2..0000000000
--- a/doc/txt/pair_spin_exchange.txt
+++ /dev/null
@@ -1,98 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-pair_style spin/exchange command :h3
-
-[Syntax:]
-
-pair_style spin/exchange cutoff :pre
-
-cutoff = global cutoff pair (distance in metal units) :ulb,l
-
-:ule
-
-[Examples:]
-
-pair_style spin/exchange 4.0
-pair_coeff * * exchange 4.0 0.0446928 0.003496 1.4885
-pair_coeff 1 2 exchange 6.0 -0.01575 0.0 1.965 :pre
-
-[Description:]
-
-Style {spin/exchange} computes the exchange interaction between
-pairs of magnetic spins:
-
-:c,image(Eqs/pair_spin_exchange_interaction.jpg)
-
-where si and sj are two neighboring magnetic spins of two particles,
-rij = ri - rj is the inter-atomic distance between the two particles,
-and J(rij) is a function defining the intensity and the sign of the exchange
-interaction for different neighboring shells. This function is defined as:
-
-:c,image(Eqs/pair_spin_exchange_function.jpg)
-
-where a, b and d are the three constant coefficients defined in the associated
-"pair_coeff" command (see below for more explanations).
-
-The coefficients a, b, and d need to be fitted so that the function above matches with
-the value of the exchange interaction for the N neighbor shells taken into account.
-Examples and more explanations about this function and its parameterization are reported
-in "(Tranchida)"_#Tranchida3.
-
-From this exchange interaction, each spin i will be submitted
-to a magnetic torque omega, and its associated atom can be submitted to a
-force F for spin-lattice calculations (see "fix_nve_spin"_fix_nve_spin.html),
-such as:
-
-:c,image(Eqs/pair_spin_exchange_forces.jpg)
-
-with h the Planck constant (in metal units), and eij = (ri - rj)/|ri-rj| the unit
-vector between sites i and j.
-
-More details about the derivation of these torques/forces are reported in
-"(Tranchida)"_#Tranchida3.
-
-For the {spin/exchange} pair style, the following coefficients must be defined
-for each pair of atoms types via the "pair_coeff"_pair_coeff.html command as in
-the examples above, or in the data file or restart files read by the
-"read_data"_read_data.html or "read_restart"_read_restart.html commands, and
-set in the following order:
-
-rc (distance units)
-a  (energy units)
-b  (adim parameter)
-d  (distance units) :ul
-
-Note that rc is the radius cutoff of the considered exchange interaction,
-and a, b and d are the three coefficients performing the parameterization
-of the function J(rij) defined above.
-
-None of those coefficients is optional. If not specified, the
-{spin/exchange} pair style cannot be used.
-
-:line
-
-[Restrictions:]
-
-All the {pair/spin} styles are part of the SPIN package.  These styles
-are only enabled if LAMMPS was built with this package, and if the
-atom_style "spin" was declared.  See the "Build
-package"_Build_package.html doc page for more info.
-
-[Related commands:]
-
-"atom_style spin"_atom_style.html, "pair_coeff"_pair_coeff.html,
-"pair_eam"_pair_eam.html,
-
-[Default:] none
-
-:line
-
-:link(Tranchida3)
-[(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson,
-Journal of Computational Physics, 372, 406-425, (2018).
diff --git a/doc/txt/pair_spin_neel.txt b/doc/txt/pair_spin_neel.txt
deleted file mode 100644
index b255f23a09..0000000000
--- a/doc/txt/pair_spin_neel.txt
+++ /dev/null
@@ -1,83 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-pair_style spin/neel command :h3
-
-[Syntax:]
-
-pair_style spin/neel cutoff :pre
-
-cutoff = global cutoff pair (distance in metal units) :ulb,l
-
-:ule
-
-[Examples:]
-
-pair_style spin/neel 4.0
-pair_coeff * * neel 4.0 0.0048 0.234 1.168 2.6905 0.705 0.652
-pair_coeff 1 2 neel 4.0 0.0048 0.234 1.168 0.0 0.0 1.0 :pre
-
-[Description:]
-
-Style {spin/neel} computes the Neel pair anisotropy model
-between pairs of magnetic spins:
-
-:c,image(Eqs/pair_spin_neel_interaction.jpg)
-
-where si and sj are two neighboring magnetic spins of two particles,
-rij = ri - rj is the inter-atomic distance between the two particles,
-eij = (ri - rj)/|ri-rj| is their normalized separation vector and g1,
-q1 and q2 are three functions defining the intensity of the dipolar
-and quadrupolar contributions, with:
-
-:c,image(Eqs/pair_spin_neel_functions.jpg)
-
-With the functions g(rij) and q(rij) defined and fitted according to
-the same Bethe-Slater function used to fit the exchange interaction:
-
-:c,image(Eqs/pair_spin_exchange_function.jpg)
-
-where a, b and d are the three constant coefficients defined in the
-associated "pair_coeff" command.
-
-The coefficients a, b, and d need to be fitted so that the function
-above matches with the values of the magneto-elastic constant of the
-materials at stake.
-
-Examples and more explanations about this function and its
-parameterization are reported in "(Tranchida)"_#Tranchida6. More
-examples of parameterization will be provided in future work.
-
-From this DM interaction, each spin i will be submitted to a magnetic
-torque omega and its associated atom to a force F (for spin-lattice
-calculations only).
-
-More details about the derivation of these torques/forces are reported
-in "(Tranchida)"_#Tranchida6.
-
-:line
-
-[Restrictions:]
-
-All the {pair/spin} styles are part of the SPIN package.  These styles
-are only enabled if LAMMPS was built with this package, and if the
-atom_style "spin" was declared.  See the "Build
-package"_Build_package.html doc page for more info.
-
-[Related commands:]
-
-"atom_style spin"_atom_style.html, "pair_coeff"_pair_coeff.html,
-"pair_eam"_pair_eam.html,
-
-[Default:] none
-
-:line
-
-:link(Tranchida6)
-[(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson,
-Journal of Computational Physics, 372, 406-425, (2018).
diff --git a/doc/utils/sphinx-config/conf.py b/doc/utils/sphinx-config/conf.py
index a002f5cdcb..3e16963f01 100644
--- a/doc/utils/sphinx-config/conf.py
+++ b/doc/utils/sphinx-config/conf.py
@@ -20,6 +20,7 @@ import os
 # add these directories to sys.path here. If the directory is relative to the
 # documentation root, use os.path.abspath to make it absolute, like shown here.
 #sys.path.insert(0, os.path.abspath('.'))
+sys.path.append(os.path.join(os.path.dirname(__file__), '../../src/_ext'))
 
 # -- General configuration ------------------------------------------------
 
@@ -33,6 +34,7 @@ extensions = [
     'sphinx.ext.mathjax',
     'sphinx.ext.imgmath',
     'sphinx.ext.autodoc',
+    'table_from_list',
 ]
 # 2017-12-07: commented out, since this package is broken with Sphinx 16.x
 #             yet we can no longer use Sphinx 15.x, since that breaks with
diff --git a/doc/utils/sphinx-config/false_positives.txt b/doc/utils/sphinx-config/false_positives.txt
index 5b3020c7d1..e0a97f8ecd 100644
--- a/doc/utils/sphinx-config/false_positives.txt
+++ b/doc/utils/sphinx-config/false_positives.txt
@@ -164,6 +164,7 @@ azimuthal
 Azuri
 ba
 Babadi
+Babaei
 backcolor
 Baczewski
 Bagi
@@ -212,6 +213,7 @@ Berne
 Bertotti
 Bessarab
 Beutler
+Bext
 bgq
 Bh
 Biersack
@@ -933,7 +935,7 @@ funcs
 functionalities
 functionals
 funroll
-für
+fuer
 fx
 fy
 fz
@@ -1041,6 +1043,7 @@ Gunsteren
 Gunzenmuller
 Guo
 gw
+gyromagnetic
 gz
 gzipped
 Haak
@@ -1060,6 +1063,7 @@ Haswell
 Haugk
 Hayoun
 Hayre
+hbar
 hbcut
 hbn
 hbnewflag
@@ -1340,6 +1344,7 @@ Khersonskii
 Khrapak
 Khvostov
 Ki
+Kikugawa
 kim
 kJ
 kk
@@ -1401,6 +1406,7 @@ Lammps
 LAMMPS
 lammpsplot
 Lamoureux
+Lande
 Landron
 langevin
 Langevin
@@ -1594,6 +1600,7 @@ Materias
 mathbf
 matlab
 matplotlib
+Matsubara
 Mattice
 Mattox
 Mattson
@@ -1772,6 +1779,7 @@ mtk
 Mtotal
 muB
 Muccioli
+mui
 Mukherjee
 Mulders
 multi
@@ -2017,6 +2025,7 @@ Nz
 ocl
 octahedral
 octants
+Ohara
 ohenrich
 ok
 Okabe
@@ -2688,6 +2697,7 @@ Sunderland
 superset
 supersphere
 Supinski
+Surblys
 surfactants
 Suter
 Sutmann
diff --git a/examples/SPIN/README b/examples/SPIN/README
index 5ad252e7f2..affb1237f8 100644
--- a/examples/SPIN/README
+++ b/examples/SPIN/README
@@ -1,20 +1,24 @@
 This directory contains examples and applications of the SPIN package
 =====================================================================
 
+- the benchmark directory provides comparison between LAMMPS
+  results and a series of simple test problems (coded as python
+  scripts).
+
 - the iron, cobalt_hcp, cobalt_fcc and nickel directories provide 
-examples of spin-lattice calculations.
+  examples of spin-lattice calculations.
 
 - the bfo repository provides an example of spin dynamics calculation
-performed on a fixed lattice, and applied to the multiferroic 
-material bismuth-oxide. 
+  performed on a fixed lattice, and applied to the multiferroic 
+  material bismuth-oxide. 
 
 - the read_restart directory provides examples allowing to write or 
-read data files, and restart magneto-mechanical simulations.  
+  read data files, and restart magneto-mechanical simulations.  
 
 - vizualization of the dump files can be achieved using Ovito or 
-VMD. See the vmd repository for help vizualizing results with VMD. 
+  VMD. See the vmd repository for help vizualizing results with VMD. 
 
 ** Note, the aim of this repository is mainly to provide users with
 examples. Better values and tuning of the magnetic and mechanical 
-interactions can be achieved for more accurate materials 
+interactions can (have to...) be achieved for more accurate materials 
 simulations. **
diff --git a/examples/SPIN/bfo/in.spin.bfo b/examples/SPIN/bfo/in.spin.bfo
index 2cd9200121..b97f7e2d61 100644
--- a/examples/SPIN/bfo/in.spin.bfo
+++ b/examples/SPIN/bfo/in.spin.bfo
@@ -1,9 +1,7 @@
 # layer sc iron atoms (in the [001] plane) in bismuth oxide 
 
-clear 
 units 		metal
 atom_style 	spin
-
 dimension 	3
 boundary 	p p f
 
@@ -18,7 +16,6 @@ create_atoms 	1 box
 # setting mass, mag. moments, and interactions for bfo
 
 mass		1 1.0
-
 set 		group all spin/random 11 2.50
 
 #pair_style 	hybrid/overlay spin/exchange 6.0 spin/magelec 4.5
@@ -51,6 +48,6 @@ thermo_style    custom step time v_magnorm pe ke v_emag temp etotal
 thermo          10
 
 compute outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 100 all custom 1 dump_bfo.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+dump 		1 all custom 100 dump_bfo.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
 
-run 		2000
+run 		500
diff --git a/examples/SPIN/bfo/log.11May18.spin.bfo.g++.1 b/examples/SPIN/bfo/log.11May18.spin.bfo.g++.1
deleted file mode 100644
index 8e9eb82d1f..0000000000
--- a/examples/SPIN/bfo/log.11May18.spin.bfo.g++.1
+++ /dev/null
@@ -1,212 +0,0 @@
-LAMMPS (11 May 2018)
-# layer sc iron atoms (in the [001] plane) in bismuth oxide
-
-clear
-units 		metal
-atom_style 	spin
-
-dimension 	3
-boundary 	p p f
-
-# necessary for the serial algorithm (sametag)
-atom_modify 	map array
-
-lattice 	sc 3.96
-Lattice spacing in x,y,z = 3.96 3.96 3.96
-region 		box block 0.0 34.0 0.0 34.0 0.0 5.0
-create_box 	1 box
-Created orthogonal box = (0 0 0) to (134.64 134.64 19.8)
-  1 by 1 by 1 MPI processor grid
-create_atoms 	1 box
-Created 5780 atoms
-  Time spent = 0.0013566 secs
-
-# setting mass, mag. moments, and interactions for bfo
-
-mass		1 1.0
-
-set 		group all spin/random 11 2.50
-  5780 settings made for spin/random
-
-pair_style 	hybrid/overlay spin/exchange 6.0 spin/magelec 4.5
-pair_coeff 	* * spin/exchange exchange 6.0 -0.01575 0.0 1.965
-pair_coeff 	* * spin/magelec magelec 4.5 0.000109 1.0 1.0 1.0
-
-neighbor 	0.1 bin
-neigh_modify 	every 10 check yes delay 20
-
-fix 		1 all precession/spin anisotropy 0.0000033 0.0 0.0 1.0
-fix 		2 all langevin/spin 0.0 0.1 21
-fix 		3 all nve/spin lattice no
-
-timestep	0.0002
-
-compute 	out_mag	 all compute/spin
-compute 	out_pe	 all pe
-compute 	out_ke	 all ke
-compute 	out_temp all temp
-
-variable 	magz	 equal c_out_mag[3]
-variable 	magnorm	 equal c_out_mag[4]
-variable 	emag	 equal c_out_mag[5]
-variable 	tmag	 equal c_out_mag[6]
-
-thermo_style    custom step time v_magnorm v_emag temp etotal
-thermo          50
-
-compute outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 100 all custom 1 dump_bfo.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
-
-run 		5000
-Neighbor list info ...
-  update every 10 steps, delay 20 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 6.1
-  ghost atom cutoff = 6.1
-  binsize = 3.05, bins = 45 45 7
-  2 neighbor lists, perpetual/occasional/extra = 2 0 0
-  (1) pair spin/exchange, perpetual
-      attributes: full, newton on
-      pair build: full/bin/atomonly
-      stencil: full/bin/3d
-      bin: standard
-  (2) pair spin/magelec, perpetual, copy from (1)
-      attributes: full, newton on
-      pair build: copy
-      stencil: none
-      bin: none
-Per MPI rank memory allocation (min/avg/max) = 7.272 | 7.272 | 7.272 Mbytes
-Step Time v_magnorm v_emag Temp TotEng 
-       0            0  0.010071723  -0.13298298            0  -0.12034311 
-      50         0.01 0.0098643821   -1.3898985            0   -1.3772103 
-     100         0.02 0.0096526211   -2.6381677            0   -2.6254222 
-     150         0.03 0.0094342235   -3.8784006            0   -3.8656019 
-     200         0.04 0.0092074832    -5.111441            0   -5.0986001 
-     250         0.05 0.0089713115   -6.3380611            0   -6.3251904 
-     300         0.06 0.0087256081   -7.5587787            0   -7.5458894 
-     350         0.07 0.0084715548   -8.7738491            0   -8.7609521 
-     400         0.08  0.008211486   -9.9833855            0   -9.9704932 
-     450         0.09 0.0079483243    -11.18751            0   -11.174637 
-     500          0.1 0.0076849713   -12.386462            0    -12.37362 
-     550         0.11  0.007424064   -13.580633            0   -13.567832 
-     600         0.12 0.0071680699   -14.770519            0   -14.757759 
-     650         0.13 0.0069192726   -15.956579            0   -15.943853 
-     700         0.14 0.0066793495   -17.139049            0   -17.126343 
-     750         0.15 0.0064488038   -18.317803            0   -18.305099 
-     800         0.16 0.0062267571   -19.492336            0   -19.479616 
-     850         0.17 0.0060112235   -20.661925            0   -20.649176 
-     900         0.18 0.0057995251   -21.825931            0   -21.813141 
-     950         0.19 0.0055886511    -22.98413            0   -22.971297 
-    1000          0.2 0.0053757923   -24.136967            0   -24.124095 
-    1050         0.21 0.0051592263   -25.285621            0   -25.272717 
-    1100         0.22 0.0049391661   -26.431928            0   -26.419004 
-    1150         0.23 0.0047179149   -27.578212            0   -27.565281 
-    1200         0.24 0.0044991004   -28.727051            0   -28.714128 
-    1250         0.25 0.0042864034   -29.880967            0   -29.868062 
-    1300         0.26 0.0040824475   -31.042054            0   -31.029173 
-    1350         0.27 0.0038883007    -32.21165            0   -32.198795 
-    1400         0.28 0.0037036595   -33.390159            0   -33.377326 
-    1450         0.29 0.0035274815   -34.577121            0   -34.564302 
-    1500          0.3 0.0033587207   -35.771483            0   -35.758672 
-    1550         0.31 0.0031969501   -36.971996            0    -36.95919 
-    1600         0.32 0.0030429081   -38.177601            0   -38.164801 
-    1650         0.33 0.0028989804   -39.387757            0   -39.374962 
-    1700         0.34 0.0027692024   -40.602665            0   -40.589873 
-    1750         0.35 0.0026581403   -41.823341            0    -41.81054 
-    1800         0.36 0.0025686991    -43.05145            0   -43.038628 
-    1850         0.37  0.002500124   -44.288966            0   -44.276111 
-    1900         0.38 0.0024477804   -45.537752            0    -45.52486 
-    1950         0.39 0.0024050049   -46.799255            0   -46.786336 
-    2000          0.4 0.0023657031   -48.074388            0   -48.061466 
-    2050         0.41 0.0023260844   -49.363587            0   -49.350695 
-    2100         0.42 0.0022848329   -50.666866            0   -50.654039 
-    2150         0.43 0.0022419759   -51.983781            0   -51.971055 
-    2200         0.44 0.0021972506    -53.31336            0   -53.300764 
-    2250         0.45 0.0021488322   -54.654121            0   -54.641676 
-    2300         0.46 0.0020929483   -56.004207            0   -55.991918 
-    2350         0.47 0.0020244601   -57.361586            0   -57.349442 
-    2400         0.48  0.001938225    -58.72428            0   -58.712247 
-    2450         0.49 0.0018309419    -60.09064            0   -60.078671 
-    2500          0.5 0.0017030436   -61.459658            0   -61.447705 
-    2550         0.51 0.0015599449   -62.831213            0   -62.819237 
-    2600         0.52 0.0014117554   -64.206088            0   -64.194074 
-    2650         0.53 0.0012709942   -65.585701            0   -65.573657 
-    2700         0.54 0.0011490452   -66.971565            0   -66.959515 
-    2750         0.55  0.001053009   -68.364663            0   -68.352635 
-    2800         0.56 0.00098415327   -69.765002            0   -69.753017 
-    2850         0.57 0.00093809306   -71.171532            0   -71.159598 
-    2900         0.58 0.00090656933    -72.58234            0   -72.570459 
-    2950         0.59 0.00088069677   -73.994931            0   -73.983099 
-    3000          0.6 0.00085472643   -75.406507            0    -75.39472 
-    3050         0.61 0.00082842902   -76.814319            0   -76.802575 
-    3100         0.62 0.00080642618   -78.216074            0   -78.204373 
-    3150         0.63 0.00079463972   -79.610246            0   -79.598589 
-    3200         0.64 0.0007962304   -80.996103            0   -80.984494 
-    3250         0.65 0.00080980411    -82.37346            0   -82.361903 
-    3300         0.66 0.00083070982   -83.742356            0   -83.730855 
-    3350         0.67 0.00085389185   -85.102808            0   -85.091374 
-    3400         0.68 0.00087624091   -86.454619            0   -86.443259 
-    3450         0.69 0.00089741986   -87.797089            0   -87.785814 
-    3500          0.7 0.00091910796    -89.12875            0   -89.117567 
-    3550         0.71 0.00094318459   -90.447312            0   -90.436232 
-    3600         0.72 0.00096989367   -91.750008            0   -91.739046 
-    3650         0.73 0.00099713096   -93.034224            0   -93.023402 
-    3700         0.74 0.0010212995   -94.298186            0   -94.287529 
-    3750         0.75 0.0010391164     -95.5414            0   -95.530926 
-    3800         0.76 0.0010491462   -96.764626            0   -96.754338 
-    3850         0.77 0.0010521238   -97.969346            0    -97.95923 
-    3900         0.78 0.0010500324   -99.156875            0   -99.146899 
-    3950         0.79 0.0010447043   -100.32743            0   -100.31756 
-    4000          0.8 0.0010368986    -101.4796            0   -101.46978 
-    4050         0.81 0.0010263632   -102.61044            0   -102.60064 
-    4100         0.82 0.0010126933   -103.71619            0   -103.70639 
-    4150         0.83 0.00099631895   -104.79338            0   -104.78358 
-    4200         0.84 0.0009789075    -105.8398            0   -105.82998 
-    4250         0.85 0.00096287608   -106.85496            0   -106.84515 
-    4300         0.86 0.00095034023   -107.84011            0   -107.83029 
-    4350         0.87 0.00094219078    -108.7976            0   -108.78778 
-    4400         0.88 0.00093779428   -109.73016            0   -109.72031 
-    4450         0.89 0.0009354459   -110.63996            0   -110.63008 
-    4500          0.9 0.00093342614   -111.52805            0   -111.51812 
-    4550         0.91 0.0009311077   -112.39417            0   -112.38416 
-    4600         0.92 0.00092926689   -113.23706            0   -113.22697 
-    4650         0.93 0.00092921566   -114.05512            0   -114.04495 
-    4700         0.94 0.00093142598   -114.84701            0   -114.83675 
-    4750         0.95 0.00093479851   -115.61197            0   -115.60164 
-    4800         0.96 0.0009369799    -116.3499            0   -116.33951 
-    4850         0.97 0.00093516768   -117.06128            0   -117.05084 
-    4900         0.98 0.00092684411   -117.74695            0   -117.73645 
-    4950         0.99 0.00091046222   -118.40798            0   -118.39742 
-    5000            1 0.00088619957   -119.04554            0   -119.03492 
-Loop time of 128.304 on 1 procs for 5000 steps with 5780 atoms
-
-Performance: 0.673 ns/day, 35.640 hours/ns, 38.970 timesteps/s
-99.6% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 24.227     | 24.227     | 24.227     |   0.0 | 18.88
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.081048   | 0.081048   | 0.081048   |   0.0 |  0.06
-Output  | 39.796     | 39.796     | 39.796     |   0.0 | 31.02
-Modify  | 64.112     | 64.112     | 64.112     |   0.0 | 49.97
-Other   |            | 0.08788    |            |       |  0.07
-
-Nlocal:    5780 ave 5780 max 5780 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    1065 ave 1065 max 1065 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  92480 ave 92480 max 92480 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 92480
-Ave neighs/atom = 16
-Neighbor list builds = 0
-Dangerous builds = 0
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:02:08
diff --git a/examples/SPIN/bfo/log.11May18.spin.bfo.g++.4 b/examples/SPIN/bfo/log.11May18.spin.bfo.g++.4
deleted file mode 100644
index c0f96b8195..0000000000
--- a/examples/SPIN/bfo/log.11May18.spin.bfo.g++.4
+++ /dev/null
@@ -1,212 +0,0 @@
-LAMMPS (11 May 2018)
-# layer sc iron atoms (in the [001] plane) in bismuth oxide
-
-clear
-units 		metal
-atom_style 	spin
-
-dimension 	3
-boundary 	p p f
-
-# necessary for the serial algorithm (sametag)
-atom_modify 	map array
-
-lattice 	sc 3.96
-Lattice spacing in x,y,z = 3.96 3.96 3.96
-region 		box block 0.0 34.0 0.0 34.0 0.0 5.0
-create_box 	1 box
-Created orthogonal box = (0 0 0) to (134.64 134.64 19.8)
-  2 by 2 by 1 MPI processor grid
-create_atoms 	1 box
-Created 5780 atoms
-  Time spent = 0.000355959 secs
-
-# setting mass, mag. moments, and interactions for bfo
-
-mass		1 1.0
-
-set 		group all spin/random 11 2.50
-  5780 settings made for spin/random
-
-pair_style 	hybrid/overlay spin/exchange 6.0 spin/magelec 4.5
-pair_coeff 	* * spin/exchange exchange 6.0 -0.01575 0.0 1.965
-pair_coeff 	* * spin/magelec magelec 4.5 0.000109 1.0 1.0 1.0
-
-neighbor 	0.1 bin
-neigh_modify 	every 10 check yes delay 20
-
-fix 		1 all precession/spin anisotropy 0.0000033 0.0 0.0 1.0
-fix 		2 all langevin/spin 0.0 0.1 21
-fix 		3 all nve/spin lattice no
-
-timestep	0.0002
-
-compute 	out_mag	 all compute/spin
-compute 	out_pe	 all pe
-compute 	out_ke	 all ke
-compute 	out_temp all temp
-
-variable 	magz	 equal c_out_mag[3]
-variable 	magnorm	 equal c_out_mag[4]
-variable 	emag	 equal c_out_mag[5]
-variable 	tmag	 equal c_out_mag[6]
-
-thermo_style    custom step time v_magnorm v_emag temp etotal
-thermo          50
-
-compute outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 100 all custom 1 dump_bfo.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
-
-run 		5000
-Neighbor list info ...
-  update every 10 steps, delay 20 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 6.1
-  ghost atom cutoff = 6.1
-  binsize = 3.05, bins = 45 45 7
-  2 neighbor lists, perpetual/occasional/extra = 2 0 0
-  (1) pair spin/exchange, perpetual
-      attributes: full, newton on
-      pair build: full/bin/atomonly
-      stencil: full/bin/3d
-      bin: standard
-  (2) pair spin/magelec, perpetual, copy from (1)
-      attributes: full, newton on
-      pair build: copy
-      stencil: none
-      bin: none
-Per MPI rank memory allocation (min/avg/max) = 6.862 | 6.862 | 6.862 Mbytes
-Step Time v_magnorm v_emag Temp TotEng 
-       0            0  0.010071723  -0.13298298            0  -0.12034311 
-      50         0.01 0.0098643821   -1.3898985            0   -1.3772103 
-     100         0.02  0.009652621   -2.6381677            0   -2.6254222 
-     150         0.03 0.0094342234   -3.8784007            0   -3.8656019 
-     200         0.04  0.009207483   -5.1114411            0   -5.0986001 
-     250         0.05 0.0089713114   -6.3380611            0   -6.3251904 
-     300         0.06 0.0087256079   -7.5587787            0   -7.5458894 
-     350         0.07 0.0084715546   -8.7738491            0   -8.7609521 
-     400         0.08 0.0082114858   -9.9833855            0   -9.9704932 
-     450         0.09 0.0079483242    -11.18751            0   -11.174637 
-     500          0.1 0.0076849711   -12.386462            0    -12.37362 
-     550         0.11 0.0074240638   -13.580633            0   -13.567832 
-     600         0.12 0.0071680697   -14.770519            0   -14.757759 
-     650         0.13 0.0069192724   -15.956579            0   -15.943853 
-     700         0.14 0.0066793493   -17.139049            0   -17.126343 
-     750         0.15 0.0064488035   -18.317803            0   -18.305099 
-     800         0.16 0.0062267569   -19.492336            0   -19.479616 
-     850         0.17 0.0060112233   -20.661925            0   -20.649176 
-     900         0.18  0.005799525   -21.825931            0   -21.813141 
-     950         0.19 0.0055886511    -22.98413            0   -22.971297 
-    1000          0.2 0.0053757923   -24.136967            0   -24.124095 
-    1050         0.21 0.0051592265   -25.285621            0   -25.272717 
-    1100         0.22 0.0049391664   -26.431928            0   -26.419004 
-    1150         0.23 0.0047179153   -27.578212            0   -27.565281 
-    1200         0.24 0.0044991009   -28.727051            0   -28.714128 
-    1250         0.25 0.0042864039   -29.880967            0   -29.868062 
-    1300         0.26  0.004082448   -31.042054            0   -31.029174 
-    1350         0.27 0.0038883012    -32.21165            0   -32.198795 
-    1400         0.28 0.0037036599   -33.390159            0   -33.377326 
-    1450         0.29 0.0035274817   -34.577121            0   -34.564302 
-    1500          0.3 0.0033587208   -35.771483            0   -35.758672 
-    1550         0.31 0.0031969501   -36.971996            0    -36.95919 
-    1600         0.32 0.0030429079   -38.177601            0   -38.164801 
-    1650         0.33 0.0028989801   -39.387757            0   -39.374962 
-    1700         0.34 0.0027692022   -40.602666            0   -40.589873 
-    1750         0.35 0.0026581401   -41.823341            0    -41.81054 
-    1800         0.36  0.002568699    -43.05145            0   -43.038628 
-    1850         0.37 0.0025001242   -44.288966            0   -44.276111 
-    1900         0.38 0.0024477808   -45.537752            0    -45.52486 
-    1950         0.39 0.0024050056   -46.799255            0   -46.786336 
-    2000          0.4  0.002365704   -48.074388            0   -48.061466 
-    2050         0.41 0.0023260854   -49.363587            0   -49.350695 
-    2100         0.42  0.002284834   -50.666866            0   -50.654039 
-    2150         0.43 0.0022419771   -51.983781            0   -51.971055 
-    2200         0.44 0.0021972518    -53.31336            0   -53.300764 
-    2250         0.45 0.0021488333   -54.654121            0   -54.641676 
-    2300         0.46 0.0020929494   -56.004207            0   -55.991918 
-    2350         0.47 0.0020244612   -57.361586            0   -57.349441 
-    2400         0.48 0.0019382262    -58.72428            0   -58.712247 
-    2450         0.49  0.001830943   -60.090639            0   -60.078671 
-    2500          0.5 0.0017030446   -61.459658            0   -61.447704 
-    2550         0.51 0.0015599459   -62.831213            0   -62.819237 
-    2600         0.52 0.0014117562   -64.206088            0   -64.194074 
-    2650         0.53  0.001270995     -65.5857            0   -65.573657 
-    2700         0.54  0.001149046   -66.971565            0   -66.959515 
-    2750         0.55 0.0010530098   -68.364663            0   -68.352635 
-    2800         0.56 0.00098415418   -69.765002            0   -69.753017 
-    2850         0.57 0.00093809402   -71.171532            0   -71.159598 
-    2900         0.58 0.00090657031    -72.58234            0   -72.570459 
-    2950         0.59 0.00088069773   -73.994931            0   -73.983099 
-    3000          0.6 0.00085472731   -75.406507            0    -75.39472 
-    3050         0.61 0.00082842975   -76.814319            0   -76.802575 
-    3100         0.62 0.00080642669   -78.216074            0   -78.204373 
-    3150         0.63   0.00079464   -79.610246            0    -79.59859 
-    3200         0.64 0.00079623049   -80.996103            0   -80.984494 
-    3250         0.65 0.00080980416   -82.373461            0   -82.361903 
-    3300         0.66 0.00083070997   -83.742356            0   -83.730856 
-    3350         0.67 0.00085389223   -85.102809            0   -85.091374 
-    3400         0.68 0.00087624159   -86.454619            0    -86.44326 
-    3450         0.69 0.00089742086    -87.79709            0   -87.785815 
-    3500          0.7 0.00091910931    -89.12875            0   -89.117568 
-    3550         0.71 0.00094318635   -90.447312            0   -90.436233 
-    3600         0.72 0.00096989594   -91.750008            0   -91.739047 
-    3650         0.73 0.00099713386   -93.034224            0   -93.023403 
-    3700         0.74 0.0010213031   -94.298186            0   -94.287529 
-    3750         0.75 0.0010391209   -95.541401            0   -95.530926 
-    3800         0.76 0.0010491514   -96.764626            0   -96.754339 
-    3850         0.77 0.0010521296   -97.969347            0   -97.959231 
-    3900         0.78 0.0010500386   -99.156876            0   -99.146899 
-    3950         0.79 0.0010447106   -100.32743            0   -100.31756 
-    4000          0.8 0.0010369046    -101.4796            0   -101.46978 
-    4050         0.81 0.0010263688   -102.61044            0   -102.60064 
-    4100         0.82 0.0010126985   -103.71619            0   -103.70639 
-    4150         0.83 0.00099632366   -104.79338            0   -104.78358 
-    4200         0.84 0.00097891183    -105.8398            0   -105.82998 
-    4250         0.85 0.00096288003   -106.85496            0   -106.84515 
-    4300         0.86 0.00095034371   -107.84011            0   -107.83029 
-    4350         0.87 0.00094219371    -108.7976            0   -108.78778 
-    4400         0.88 0.00093779663   -109.73016            0   -109.72031 
-    4450         0.89 0.00093544766   -110.63996            0   -110.63008 
-    4500          0.9 0.00093342739   -111.52805            0   -111.51812 
-    4550         0.91 0.00093110855   -112.39417            0   -112.38416 
-    4600         0.92 0.00092926746   -113.23706            0   -113.22697 
-    4650         0.93 0.00092921608   -114.05512            0   -114.04495 
-    4700         0.94 0.0009314263   -114.84701            0   -114.83675 
-    4750         0.95 0.0009347987   -115.61197            0   -115.60164 
-    4800         0.96 0.00093697985    -116.3499            0   -116.33951 
-    4850         0.97 0.00093516726   -117.06128            0   -117.05084 
-    4900         0.98 0.00092684316   -117.74695            0   -117.73645 
-    4950         0.99 0.00091046061   -118.40798            0   -118.39742 
-    5000            1 0.00088619727   -119.04554            0   -119.03492 
-Loop time of 37.142 on 4 procs for 5000 steps with 5780 atoms
-
-Performance: 2.326 ns/day, 10.317 hours/ns, 134.619 timesteps/s
-98.7% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 6.2804     | 6.3487     | 6.4569     |   2.7 | 17.09
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.15385    | 0.27957    | 0.36215    |  14.6 |  0.75
-Output  | 10.573     | 10.784     | 10.994     |   4.8 | 29.03
-Modify  | 19.48      | 19.707     | 19.925     |   3.7 | 53.06
-Other   |            | 0.02255    |            |       |  0.06
-
-Nlocal:    1445 ave 1445 max 1445 min
-Histogram: 4 0 0 0 0 0 0 0 0 0
-Nghost:    555 ave 555 max 555 min
-Histogram: 4 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 4 0 0 0 0 0 0 0 0 0
-FullNghs:  23120 ave 23120 max 23120 min
-Histogram: 4 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 92480
-Ave neighs/atom = 16
-Neighbor list builds = 0
-Dangerous builds = 0
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:37
diff --git a/examples/SPIN/bfo/log.19Nov19.spin.bfo.g++.1 b/examples/SPIN/bfo/log.19Nov19.spin.bfo.g++.1
new file mode 100644
index 0000000000..b14210e9d0
--- /dev/null
+++ b/examples/SPIN/bfo/log.19Nov19.spin.bfo.g++.1
@@ -0,0 +1,167 @@
+LAMMPS (30 Oct 2019)
+# layer sc iron atoms (in the [001] plane) in bismuth oxide
+
+units 		metal
+atom_style 	spin
+dimension 	3
+boundary 	p p f
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	sc 3.96
+Lattice spacing in x,y,z = 3.96 3.96 3.96
+region 		box block 0.0 34.0 0.0 34.0 0.0 5.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (134.64 134.64 19.8)
+  1 by 1 by 1 MPI processor grid
+create_atoms 	1 box
+Created 5780 atoms
+  create_atoms CPU = 0.00226784 secs
+
+# setting mass, mag. moments, and interactions for bfo
+
+mass		1 1.0
+set 		group all spin/random 11 2.50
+  5780 settings made for spin/random
+
+#pair_style 	hybrid/overlay spin/exchange 6.0 spin/magelec 4.5
+pair_style 	hybrid/overlay spin/exchange 6.0 spin/magelec 4.5 spin/dmi 4.5
+pair_coeff 	* * spin/exchange exchange 6.0 -0.01575 0.0 1.965
+pair_coeff 	* * spin/magelec magelec 4.5 0.000109 1.0 1.0 1.0
+pair_coeff 	* * spin/dmi dmi 4.5 0.00005 1.0 1.0 1.0
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin anisotropy 0.0000033 0.0 0.0 1.0
+fix 		2 all langevin/spin 0.0 0.1 21
+fix 		3 all nve/spin lattice frozen
+
+timestep	0.0002
+
+compute 	out_mag	 all spin
+compute 	out_pe	 all pe
+compute 	out_ke	 all ke
+compute 	out_temp all temp
+
+variable 	magz	 equal c_out_mag[3]
+variable 	magnorm	 equal c_out_mag[4]
+variable 	emag	 equal c_out_mag[5]
+variable 	tmag	 equal c_out_mag[6]
+
+#thermo_style    custom step time v_magnorm v_emag temp etotal
+thermo_style    custom step time v_magnorm pe ke v_emag temp etotal
+thermo          10
+
+compute outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 100 dump_bfo.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+run 		500
+Neighbor list info ...
+  update every 10 steps, delay 20 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.1
+  ghost atom cutoff = 6.1
+  binsize = 3.05, bins = 45 45 7
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (2) pair spin/magelec, perpetual, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+  (3) pair spin/dmi, perpetual, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 8.154 | 8.154 | 8.154 Mbytes
+Step Time v_magnorm PotEng KinEng v_emag Temp TotEng 
+       0            0  0.010071723 -0.059343109            0  -0.13132609            0 -0.059343109 
+      10        0.002   0.01003044  -0.18537022            0  -0.38338861            0  -0.18537022 
+      20        0.004 0.0099890716  -0.31121926            0  -0.63509581            0  -0.31121926 
+      30        0.006 0.0099475919  -0.43689013            0  -0.88644739            0  -0.43689013 
+      40        0.008 0.0099059782   -0.5623833            0   -1.1374442            0   -0.5623833 
+      50         0.01 0.0098642085  -0.68769978            0    -1.388088            0  -0.68769978 
+      60        0.012 0.0098222618  -0.81284106            0   -1.6383818            0  -0.81284106 
+      70        0.014 0.0097801186  -0.93780907            0   -1.8883294            0  -0.93780907 
+      80        0.016 0.0097377603   -1.0626062            0   -2.1379352            0   -1.0626062 
+      90        0.018 0.0096951693    -1.187235            0   -2.3872045            0    -1.187235 
+     100         0.02 0.0096523288   -1.3116986            0   -2.6361432            0   -1.3116986 
+     110        0.022 0.0096092227   -1.4360002            0   -2.8847577            0   -1.4360002 
+     120        0.024  0.009565836   -1.5601431            0   -3.1330547            0   -1.5601431 
+     130        0.026 0.0095221542   -1.6841309            0   -3.3810411            0   -1.6841309 
+     140        0.028 0.0094781635   -1.8079673            0   -3.6287241            0   -1.8079673 
+     150         0.03 0.0094338509   -1.9316557            0   -3.8761109            0   -1.9316557 
+     160        0.032 0.0093892044   -2.0551997            0   -4.1232085            0   -2.0551997 
+     170        0.034 0.0093442126    -2.178603            0    -4.370024            0    -2.178603 
+     180        0.036 0.0092988654   -2.3018687            0   -4.6165639            0   -2.3018687 
+     190        0.038 0.0092531537   -2.4250002            0   -4.8628348            0   -2.4250002 
+     200         0.04 0.0092070698   -2.5480003            0   -5.1088426            0   -2.5480003 
+     210        0.042 0.0091606073    -2.670872            0   -5.3545929            0    -2.670872 
+     220        0.044 0.0091137617   -2.7936178            0   -5.6000909            0   -2.7936178 
+     230        0.046 0.0090665298   -2.9162399            0   -5.8453412            0   -2.9162399 
+     240        0.048 0.0090189108   -3.0387405            0   -6.0903478            0   -3.0387405 
+     250         0.05 0.0089709056   -3.1611214            0   -6.3351146            0   -3.1611214 
+     260        0.052 0.0089225173   -3.2833841            0   -6.5796445            0   -3.2833841 
+     270        0.054 0.0088737511   -3.4055299            0   -6.8239403            0   -3.4055299 
+     280        0.056 0.0088246147     -3.52756            0   -7.0680043            0     -3.52756 
+     290        0.058 0.0087751176   -3.6494754            0   -7.3118383            0   -3.6494754 
+     300         0.06  0.008725272   -3.7712768            0   -7.5554438            0   -3.7712768 
+     310        0.062 0.0086750916   -3.8929648            0   -7.7988222            0   -3.8929648 
+     320        0.064 0.0086245927   -4.0145399            0   -8.0419744            0   -4.0145399 
+     330        0.066 0.0085737928   -4.1360026            0   -8.2849013            0   -4.1360026 
+     340        0.068 0.0085227116   -4.2573532            0   -8.5276035            0   -4.2573532 
+     350         0.07 0.0084713698    -4.378592            0   -8.7700818            0    -4.378592 
+     360        0.072 0.0084197895   -4.4997194            0   -9.0123367            0   -4.4997194 
+     370        0.074 0.0083679936   -4.6207358            0   -9.2543688            0   -4.6207358 
+     380        0.076 0.0083160058   -4.7416414            0    -9.496179            0   -4.7416414 
+     390        0.078 0.0082638503   -4.8624367            0   -9.7377681            0   -4.8624367 
+     400         0.08 0.0082115512   -4.9831222            0   -9.9791371            0   -4.9831222 
+     410        0.082 0.0081591329   -5.1036986            0   -10.220287            0   -5.1036986 
+     420        0.084 0.0081066195   -5.2241665            0    -10.46122            0   -5.2241665 
+     430        0.086 0.0080540347   -5.3445267            0   -10.701936            0   -5.3445267 
+     440        0.088  0.008001402   -5.4647802            0   -10.942439            0   -5.4647802 
+     450         0.09 0.0079487439   -5.5849281            0    -11.18273            0   -5.5849281 
+     460        0.092 0.0078960829   -5.7049716            0   -11.422811            0   -5.7049716 
+     470        0.094 0.0078434404    -5.824912            0   -11.662686            0    -5.824912 
+     480        0.096 0.0077908378   -5.9447508            0   -11.902357            0   -5.9447508 
+     490        0.098 0.0077382955   -6.0644896            0   -12.141828            0   -6.0644896 
+     500          0.1 0.0076858338   -6.1841301            0   -12.381101            0   -6.1841301 
+Loop time of 13.543 on 1 procs for 500 steps with 5780 atoms
+
+Performance: 0.638 ns/day, 37.619 hours/ns, 36.919 timesteps/s
+100.0% CPU use with 1 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 3.8138     | 3.8138     | 3.8138     |   0.0 | 28.16
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.011875   | 0.011875   | 0.011875   |   0.0 |  0.09
+Output  | 0.049726   | 0.049726   | 0.049726   |   0.0 |  0.37
+Modify  | 9.655      | 9.655      | 9.655      |   0.0 | 71.29
+Other   |            | 0.01262    |            |       |  0.09
+
+Nlocal:    5780 ave 5780 max 5780 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1065 ave 1065 max 1065 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  92480 ave 92480 max 92480 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 92480
+Ave neighs/atom = 16
+Neighbor list builds = 0
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:13
diff --git a/examples/SPIN/bfo/log.19Nov19.spin.bfo.g++.4 b/examples/SPIN/bfo/log.19Nov19.spin.bfo.g++.4
new file mode 100644
index 0000000000..8c701c93c1
--- /dev/null
+++ b/examples/SPIN/bfo/log.19Nov19.spin.bfo.g++.4
@@ -0,0 +1,167 @@
+LAMMPS (30 Oct 2019)
+# layer sc iron atoms (in the [001] plane) in bismuth oxide
+
+units 		metal
+atom_style 	spin
+dimension 	3
+boundary 	p p f
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	sc 3.96
+Lattice spacing in x,y,z = 3.96 3.96 3.96
+region 		box block 0.0 34.0 0.0 34.0 0.0 5.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (134.64 134.64 19.8)
+  2 by 2 by 1 MPI processor grid
+create_atoms 	1 box
+Created 5780 atoms
+  create_atoms CPU = 0.00149798 secs
+
+# setting mass, mag. moments, and interactions for bfo
+
+mass		1 1.0
+set 		group all spin/random 11 2.50
+  5780 settings made for spin/random
+
+#pair_style 	hybrid/overlay spin/exchange 6.0 spin/magelec 4.5
+pair_style 	hybrid/overlay spin/exchange 6.0 spin/magelec 4.5 spin/dmi 4.5
+pair_coeff 	* * spin/exchange exchange 6.0 -0.01575 0.0 1.965
+pair_coeff 	* * spin/magelec magelec 4.5 0.000109 1.0 1.0 1.0
+pair_coeff 	* * spin/dmi dmi 4.5 0.00005 1.0 1.0 1.0
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin anisotropy 0.0000033 0.0 0.0 1.0
+fix 		2 all langevin/spin 0.0 0.1 21
+fix 		3 all nve/spin lattice frozen
+
+timestep	0.0002
+
+compute 	out_mag	 all spin
+compute 	out_pe	 all pe
+compute 	out_ke	 all ke
+compute 	out_temp all temp
+
+variable 	magz	 equal c_out_mag[3]
+variable 	magnorm	 equal c_out_mag[4]
+variable 	emag	 equal c_out_mag[5]
+variable 	tmag	 equal c_out_mag[6]
+
+#thermo_style    custom step time v_magnorm v_emag temp etotal
+thermo_style    custom step time v_magnorm pe ke v_emag temp etotal
+thermo          10
+
+compute outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 100 dump_bfo.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+run 		500
+Neighbor list info ...
+  update every 10 steps, delay 20 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.1
+  ghost atom cutoff = 6.1
+  binsize = 3.05, bins = 45 45 7
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (2) pair spin/magelec, perpetual, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+  (3) pair spin/dmi, perpetual, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 7.744 | 7.744 | 7.744 Mbytes
+Step Time v_magnorm PotEng KinEng v_emag Temp TotEng 
+       0            0  0.010071723  -0.11868622            0  -0.12966919            0  -0.11868622 
+      10        0.002  0.010030399  -0.37068593            0  -0.38171598            0  -0.37068593 
+      20        0.004 0.0099889925   -0.6223216            0   -0.6334048            0   -0.6223216 
+      30        0.006 0.0099474775  -0.87359359            0   -0.8847354            0  -0.87359359 
+      40        0.008 0.0099058307   -1.1245034            0   -1.1357086            0   -1.1245034 
+      50         0.01 0.0098640297   -1.3750538            0   -1.3863265            0   -1.3750538 
+      60        0.012 0.0098220535   -1.6252482            0   -1.6365919            0   -1.6252482 
+      70        0.014 0.0097798823   -1.8750914            0   -1.8865086            0   -1.8750914 
+      80        0.016 0.0097374973   -2.1245886            0   -2.1360814            0   -2.1245886 
+      90        0.018 0.0096948808   -2.3737458            0   -2.3853155            0   -2.3737458 
+     100         0.02 0.0096520159   -2.6225698            0   -2.6342168            0   -2.6225698 
+     110        0.022 0.0096088866   -2.8710677            0   -2.8827919            0   -2.8710677 
+     120        0.024 0.0095654776   -3.1192469            0   -3.1310475            0   -3.1192469 
+     130        0.026 0.0095217746    -3.367115            0   -3.3789906            0    -3.367115 
+     140        0.028 0.0094777638     -3.61468            0   -3.6266285            0     -3.61468 
+     150         0.03 0.0094334323   -3.8619496            0   -3.8739683            0   -3.8619496 
+     160        0.032 0.0093887679   -4.1089316            0   -4.1210173            0   -4.1089316 
+     170        0.034 0.0093437596   -4.3556335            0   -4.3677824            0   -4.3556335 
+     180        0.036 0.0092983972   -4.6020625            0   -4.6142704            0   -4.6020625 
+     190        0.038 0.0092526717   -4.8482255            0   -4.8604877            0   -4.8482255 
+     200         0.04 0.0092065755   -5.0941291            0   -5.1064403            0   -5.0941291 
+     210        0.042 0.0091601024   -5.3397792            0   -5.3521339            0   -5.3397792 
+     220        0.044 0.0091132478   -5.5851813            0   -5.5975736            0   -5.5851813 
+     230        0.046 0.0090660089   -5.8303404            0    -5.842764            0   -5.8303404 
+     240        0.048 0.0090183847   -6.0752609            0   -6.0877092            0   -6.0752609 
+     250         0.05 0.0089703764   -6.3199467            0   -6.3324129            0   -6.3199467 
+     260        0.052 0.0089219873   -6.5644011            0   -6.5768782            0   -6.5644011 
+     270        0.054 0.0088732228    -6.808627            0   -6.8211078            0    -6.808627 
+     280        0.056 0.0088240906   -7.0526266            0   -7.0651038            0   -7.0526266 
+     290        0.058 0.0087746006    -7.296402            0   -7.3088682            0    -7.296402 
+     300         0.06 0.0087247648   -7.5399545            0   -7.5524024            0   -7.5399545 
+     310        0.062 0.0086745976   -7.7832854            0   -7.7957077            0   -7.7832854 
+     320        0.064 0.0086241149   -8.0263956            0    -8.038785            0   -8.0263956 
+     330        0.066  0.008573335   -8.2692858            0    -8.281635            0   -8.2692858 
+     340        0.068 0.0085222772   -8.5119564            0   -8.5242586            0   -8.5119564 
+     350         0.07 0.0084709627   -8.7544078            0   -8.7666562            0   -8.7544078 
+     360        0.072 0.0084194136   -8.9966403            0   -9.0088285            0   -8.9966403 
+     370        0.074  0.008367653   -9.2386543            0   -9.2507761            0   -9.2386543 
+     380        0.076 0.0083157046   -9.4804501            0   -9.4924997            0   -9.4804501 
+     390        0.078 0.0082635925   -9.7220281            0   -9.7340001            0   -9.7220281 
+     400         0.08 0.0082113412   -9.9633888            0   -9.9752784            0   -9.9633888 
+     410        0.082 0.0081589747   -10.204533            0   -10.216336            0   -10.204533 
+     420        0.084 0.0081065173   -10.445462            0   -10.457173            0   -10.445462 
+     430        0.086 0.0080539925   -10.686176            0   -10.697793            0   -10.686176 
+     440        0.088 0.0080014235   -10.926676            0   -10.938197            0   -10.926676 
+     450         0.09 0.0079488329   -11.166966            0   -11.178387            0   -11.166966 
+     460        0.092 0.0078962427   -11.407045            0   -11.418366            0   -11.407045 
+     470        0.094 0.0078436743   -11.646917            0   -11.658136            0   -11.646917 
+     480        0.096 0.0077911486   -11.886583            0     -11.8977            0   -11.886583 
+     490        0.098  0.007738686   -12.126047            0   -12.137063            0   -12.126047 
+     500          0.1 0.0076863062   -12.365311            0   -12.376226            0   -12.365311 
+Loop time of 3.94852 on 4 procs for 500 steps with 5780 atoms
+
+Performance: 2.188 ns/day, 10.968 hours/ns, 126.630 timesteps/s
+99.9% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.97416    | 0.98668    | 1.0022     |   1.0 | 24.99
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.032618   | 0.04948    | 0.062614   |   5.0 |  1.25
+Output  | 0.014166   | 0.014229   | 0.014374   |   0.1 |  0.36
+Modify  | 2.8947     | 2.8957     | 2.8965     |   0.0 | 73.34
+Other   |            | 0.002385   |            |       |  0.06
+
+Nlocal:    1445 ave 1445 max 1445 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Nghost:    555 ave 555 max 555 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  23120 ave 23120 max 23120 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 92480
+Ave neighs/atom = 16
+Neighbor list builds = 0
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:03
diff --git a/examples/SPIN/cobalt_fcc/in.spin.cobalt_fcc b/examples/SPIN/cobalt_fcc/in.spin.cobalt_fcc
index 9193faa798..dd9ed890ee 100644
--- a/examples/SPIN/cobalt_fcc/in.spin.cobalt_fcc
+++ b/examples/SPIN/cobalt_fcc/in.spin.cobalt_fcc
@@ -57,7 +57,7 @@ variable 	tmag      equal c_out_mag[6]
 thermo_style    custom step time f_1 v_magx v_magy v_magnorm v_emag temp etotal
 thermo          50
 
-#compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-#dump 		100 all custom 1 dump_cobalt_fcc.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+# compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+# dump 		1 all custom 100 dump_cobalt_fcc.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
 
 run 		1000
diff --git a/examples/SPIN/cobalt_fcc/log.11May18.spin.cobalt_fcc.g++.1 b/examples/SPIN/cobalt_fcc/log.11May18.spin.cobalt_fcc.g++.1
deleted file mode 100644
index d832b0001a..0000000000
--- a/examples/SPIN/cobalt_fcc/log.11May18.spin.cobalt_fcc.g++.1
+++ /dev/null
@@ -1,142 +0,0 @@
-LAMMPS (11 May 2018)
-# fcc cobalt in a 3d periodic box
-
-clear
-units		metal
-atom_style 	spin
-
-dimension 	3
-boundary 	p p p
-
-# necessary for the serial algorithm (sametag)
-atom_modify 	map array
-
-lattice fcc 	3.54
-Lattice spacing in x,y,z = 3.54 3.54 3.54
-region box 	block 0.0 5.0 0.0 5.0 0.0 5.0
-create_box 	1 box
-Created orthogonal box = (0 0 0) to (17.7 17.7 17.7)
-  1 by 1 by 1 MPI processor grid
-create_atoms 	1 box
-Created 500 atoms
-  Time spent = 0.000651121 secs
-
-# setting mass, mag. moments, and interactions for fcc cobalt
-
-mass		1 58.93
-
-#set 		group all spin/random 31 1.72
-set 		group all spin 1.72 0.0 0.0 1.0
-  500 settings made for spin
-velocity 	all create 100 4928459 rot yes dist gaussian
-
-pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0
-pair_coeff 	* * eam/alloy Co_PurjaPun_2012.eam.alloy Co
-pair_coeff 	* * spin/exchange exchange 4.0 0.0446928 0.003496 1.4885
-
-neighbor 	0.1 bin
-neigh_modify 	every 10 check yes delay 20
-
-fix 		1 all precession/spin zeeman 1.0 0.0 0.0 1.0
-fix_modify 	1 energy yes
-
-fix 		2 all langevin/spin 0.0 0.0 21
-
-fix 		3 all nve/spin lattice yes
-timestep	0.0001
-
-# compute and output options
-
-compute 	out_mag    all compute/spin
-compute 	out_pe     all pe
-compute 	out_ke     all ke
-compute 	out_temp   all temp
-
-thermo_style	custom f_1
-
-variable 	magx      equal c_out_mag[1]
-variable 	magy      equal c_out_mag[2]
-variable 	magz      equal c_out_mag[3]
-variable 	magnorm   equal c_out_mag[4]
-variable 	emag      equal c_out_mag[5]
-variable 	tmag      equal c_out_mag[6]
-
-thermo_style    custom step time f_1 v_magx v_magy v_magnorm v_emag temp etotal
-thermo          50
-
-#compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-#dump 		100 all custom 1 dump_cobalt_fcc.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
-
-run 		1000
-Neighbor list info ...
-  update every 10 steps, delay 20 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 6.59954
-  ghost atom cutoff = 6.59954
-  binsize = 3.29977, bins = 6 6 6
-  2 neighbor lists, perpetual/occasional/extra = 2 0 0
-  (1) pair eam/alloy, perpetual, half/full from (2)
-      attributes: half, newton on
-      pair build: halffull/newton
-      stencil: none
-      bin: none
-  (2) pair spin/exchange, perpetual
-      attributes: full, newton on
-      pair build: full/bin/atomonly
-      stencil: full/bin/3d
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 5.218 | 5.218 | 5.218 Mbytes
-Step Time f_1 v_magx v_magy v_magnorm v_emag Temp TotEng 
-       0            0  0.049785486            0            0            1   -187.94116    100.00543   -2372.4636 
-      50        0.005  0.049785486            0            0            1   -187.94112    95.094679   -2372.4636 
-     100         0.01  0.049785486            0            0            1   -187.94071    81.578321   -2372.4636 
-     150        0.015  0.049785486            0            0            1   -187.93912    62.802727   -2372.4636 
-     200         0.02  0.049785486            0            0            1   -187.93551     43.35108   -2372.4636 
-     250        0.025  0.049785486            0            0            1   -187.92942    27.749821   -2372.4636 
-     300         0.03  0.049785486            0            0            1   -187.92118    19.149389   -2372.4636 
-     350        0.035  0.049785486            0            0            1   -187.91199    18.453387   -2372.4636 
-     400         0.04  0.049785486            0            0            1   -187.90364    24.249423   -2372.4636 
-     450        0.045  0.049785486            0            0            1   -187.89806    33.548008   -2372.4636 
-     500         0.05  0.049785486            0            0            1   -187.89668    42.973172   -2372.4636 
-     550        0.055  0.049785486            0            0            1       -187.9    49.902539   -2372.4636 
-     600         0.06  0.049785486            0            0            1   -187.90735    53.166772   -2372.4636 
-     650        0.065  0.049785486            0            0            1   -187.91706    53.153416   -2372.4636 
-     700         0.07  0.049785486            0            0            1   -187.92692    51.377187   -2372.4636 
-     750        0.075  0.049785486            0            0            1    -187.9348    49.725449   -2372.4636 
-     800         0.08  0.049785486            0            0            1   -187.93921    49.663576   -2372.4636 
-     850        0.085  0.049785486            0            0            1   -187.93974    51.681567   -2372.4636 
-     900         0.09  0.049785486            0            0            1     -187.937    55.166554   -2372.4636 
-     950        0.095  0.049785486            0            0            1   -187.93239    58.718232   -2372.4636 
-    1000          0.1  0.049785486            0            0            1   -187.92755     60.75567   -2372.4636 
-Loop time of 4.1303 on 1 procs for 1000 steps with 500 atoms
-
-Performance: 2.092 ns/day, 11.473 hours/ns, 242.113 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 2.142      | 2.142      | 2.142      |   0.0 | 51.86
-Neigh   | 0.0094573  | 0.0094573  | 0.0094573  |   0.0 |  0.23
-Comm    | 0.023293   | 0.023293   | 0.023293   |   0.0 |  0.56
-Output  | 0.00031972 | 0.00031972 | 0.00031972 |   0.0 |  0.01
-Modify  | 1.9488     | 1.9488     | 1.9488     |   0.0 | 47.18
-Other   |            | 0.006488   |            |       |  0.16
-
-Nlocal:    500 ave 500 max 500 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    1956 ave 1956 max 1956 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    24065 ave 24065 max 24065 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  48130 ave 48130 max 48130 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 48130
-Ave neighs/atom = 96.26
-Neighbor list builds = 6
-Dangerous builds = 0
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:04
diff --git a/examples/SPIN/cobalt_fcc/log.11May18.spin.cobalt_fcc.g++.4 b/examples/SPIN/cobalt_fcc/log.11May18.spin.cobalt_fcc.g++.4
deleted file mode 100644
index 358d7cfc7a..0000000000
--- a/examples/SPIN/cobalt_fcc/log.11May18.spin.cobalt_fcc.g++.4
+++ /dev/null
@@ -1,142 +0,0 @@
-LAMMPS (11 May 2018)
-# fcc cobalt in a 3d periodic box
-
-clear
-units		metal
-atom_style 	spin
-
-dimension 	3
-boundary 	p p p
-
-# necessary for the serial algorithm (sametag)
-atom_modify 	map array
-
-lattice fcc 	3.54
-Lattice spacing in x,y,z = 3.54 3.54 3.54
-region box 	block 0.0 5.0 0.0 5.0 0.0 5.0
-create_box 	1 box
-Created orthogonal box = (0 0 0) to (17.7 17.7 17.7)
-  1 by 2 by 2 MPI processor grid
-create_atoms 	1 box
-Created 500 atoms
-  Time spent = 0.000240088 secs
-
-# setting mass, mag. moments, and interactions for fcc cobalt
-
-mass		1 58.93
-
-#set 		group all spin/random 31 1.72
-set 		group all spin 1.72 0.0 0.0 1.0
-  500 settings made for spin
-velocity 	all create 100 4928459 rot yes dist gaussian
-
-pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0
-pair_coeff 	* * eam/alloy Co_PurjaPun_2012.eam.alloy Co
-pair_coeff 	* * spin/exchange exchange 4.0 0.0446928 0.003496 1.4885
-
-neighbor 	0.1 bin
-neigh_modify 	every 10 check yes delay 20
-
-fix 		1 all precession/spin zeeman 1.0 0.0 0.0 1.0
-fix_modify 	1 energy yes
-
-fix 		2 all langevin/spin 0.0 0.0 21
-
-fix 		3 all nve/spin lattice yes
-timestep	0.0001
-
-# compute and output options
-
-compute 	out_mag    all compute/spin
-compute 	out_pe     all pe
-compute 	out_ke     all ke
-compute 	out_temp   all temp
-
-thermo_style	custom f_1
-
-variable 	magx      equal c_out_mag[1]
-variable 	magy      equal c_out_mag[2]
-variable 	magz      equal c_out_mag[3]
-variable 	magnorm   equal c_out_mag[4]
-variable 	emag      equal c_out_mag[5]
-variable 	tmag      equal c_out_mag[6]
-
-thermo_style    custom step time f_1 v_magx v_magy v_magnorm v_emag temp etotal
-thermo          50
-
-#compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-#dump 		100 all custom 1 dump_cobalt_fcc.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
-
-run 		1000
-Neighbor list info ...
-  update every 10 steps, delay 20 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 6.59954
-  ghost atom cutoff = 6.59954
-  binsize = 3.29977, bins = 6 6 6
-  2 neighbor lists, perpetual/occasional/extra = 2 0 0
-  (1) pair eam/alloy, perpetual, half/full from (2)
-      attributes: half, newton on
-      pair build: halffull/newton
-      stencil: none
-      bin: none
-  (2) pair spin/exchange, perpetual
-      attributes: full, newton on
-      pair build: full/bin/atomonly
-      stencil: full/bin/3d
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 5.163 | 5.163 | 5.163 Mbytes
-Step Time f_1 v_magx v_magy v_magnorm v_emag Temp TotEng 
-       0            0  0.049785486            0            0            1   -187.94116    100.00543   -2372.4636 
-      50        0.005  0.049785486            0            0            1   -187.94101    95.174807   -2372.4636 
-     100         0.01  0.049785486            0            0            1   -187.94029    81.854304   -2372.4636 
-     150        0.015  0.049785486            0            0            1   -187.93834    63.270938   -2372.4636 
-     200         0.02  0.049785486            0            0            1   -187.93446    43.867262   -2372.4636 
-     250        0.025  0.049785486            0            0            1   -187.92831    28.075261   -2372.4636 
-     300         0.03  0.049785486            0            0            1   -187.92031    19.046222   -2372.4636 
-     350        0.035  0.049785486            0            0            1   -187.91161     17.79071   -2372.4636 
-     400         0.04  0.049785486            0            0            1    -187.9039    23.079994   -2372.4636 
-     450        0.045  0.049785486            0            0            1   -187.89895    32.127316   -2372.4636 
-     500         0.05  0.049785486            0            0            1   -187.89801    41.709644   -2372.4636 
-     550        0.055  0.049785486            0            0            1   -187.90146    49.246292   -2372.4636 
-     600         0.06  0.049785486            0            0            1   -187.90859    53.465535   -2372.4636 
-     650        0.065  0.049785486            0            0            1   -187.91778    54.522857   -2372.4636 
-     700         0.07  0.049785486            0            0            1    -187.9269    53.635521   -2372.4636 
-     750        0.075  0.049785486            0            0            1   -187.93396    52.419678   -2372.4636 
-     800         0.08  0.049785486            0            0            1    -187.9376    52.176558   -2372.4636 
-     850        0.085  0.049785486            0            0            1   -187.93744    53.380592   -2372.4636 
-     900         0.09  0.049785486            0            0            1   -187.93412    55.551378   -2372.4636 
-     950        0.095  0.049785486            0            0            1   -187.92902    57.540047   -2372.4636 
-    1000          0.1  0.049785486            0            0            1   -187.92378    58.088674   -2372.4636 
-Loop time of 1.71411 on 4 procs for 1000 steps with 500 atoms
-
-Performance: 5.041 ns/day, 4.761 hours/ns, 583.392 timesteps/s
-97.7% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.54717    | 0.57392    | 0.58784    |   2.1 | 33.48
-Neigh   | 0.0023484  | 0.0025793  | 0.0026793  |   0.3 |  0.15
-Comm    | 0.058548   | 0.073335   | 0.10006    |   5.9 |  4.28
-Output  | 0.00042272 | 0.00079203 | 0.0018559  |   0.0 |  0.05
-Modify  | 1.0577     | 1.0611     | 1.0625     |   0.2 | 61.90
-Other   |            | 0.00239    |            |       |  0.14
-
-Nlocal:    125 ave 133 max 116 min
-Histogram: 1 0 0 0 0 2 0 0 0 1
-Nghost:    1099 ave 1108 max 1091 min
-Histogram: 1 0 0 0 2 0 0 0 0 1
-Neighs:    6032.5 ave 6417 max 5489 min
-Histogram: 1 0 0 0 0 0 1 1 0 1
-FullNghs:  12065 ave 13062 max 10970 min
-Histogram: 1 0 0 0 0 2 0 0 0 1
-
-Total # of neighbors = 48260
-Ave neighs/atom = 96.52
-Neighbor list builds = 6
-Dangerous builds = 0
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:01
diff --git a/examples/SPIN/cobalt_fcc/log.19Nov19.spin.cobalt_fcc.g++.1 b/examples/SPIN/cobalt_fcc/log.19Nov19.spin.cobalt_fcc.g++.1
new file mode 100644
index 0000000000..06774d0858
--- /dev/null
+++ b/examples/SPIN/cobalt_fcc/log.19Nov19.spin.cobalt_fcc.g++.1
@@ -0,0 +1,142 @@
+LAMMPS (30 Oct 2019)
+# fcc cobalt in a 3d periodic box
+
+clear
+units		metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice fcc 	3.54
+Lattice spacing in x,y,z = 3.54 3.54 3.54
+region box 	block 0.0 5.0 0.0 5.0 0.0 5.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (17.7 17.7 17.7)
+  1 by 1 by 1 MPI processor grid
+create_atoms 	1 box
+Created 500 atoms
+  create_atoms CPU = 0.000470161 secs
+
+# setting mass, mag. moments, and interactions for fcc cobalt
+
+mass		1 58.93
+
+#set 		group all spin/random 31 1.72
+set 		group all spin 1.72 0.0 0.0 1.0
+  500 settings made for spin
+velocity 	all create 100 4928459 rot yes dist gaussian
+
+pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0
+pair_coeff 	* * eam/alloy Co_PurjaPun_2012.eam.alloy Co
+pair_coeff 	* * spin/exchange exchange 4.0 0.0446928 0.003496 1.4885
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin zeeman 1.0 0.0 0.0 1.0
+fix_modify 	1 energy yes
+
+fix 		2 all langevin/spin 0.0 0.0 21
+
+fix 		3 all nve/spin lattice moving
+timestep	0.0001
+
+# compute and output options
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+thermo_style	custom f_1
+
+variable 	magx      equal c_out_mag[1]
+variable 	magy      equal c_out_mag[2]
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo_style    custom step time f_1 v_magx v_magy v_magnorm v_emag temp etotal
+thermo          50
+
+# compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+# dump 		1 all custom 100 dump_cobalt_fcc.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+run 		1000
+Neighbor list info ...
+  update every 10 steps, delay 20 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.59954
+  ghost atom cutoff = 6.59954
+  binsize = 3.29977, bins = 6 6 6
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair eam/alloy, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 5.718 | 5.718 | 5.718 Mbytes
+Step Time f_1 v_magx v_magy v_magnorm v_emag Temp TotEng 
+       0            0 -0.099570972            0            0            1   -188.09051    100.00543   -2278.6175 
+      50        0.005 -0.099570972            0            0            1   -188.09048    95.094679   -2278.6175 
+     100         0.01 -0.099570972            0            0            1   -188.09007    81.578321   -2278.6177 
+     150        0.015 -0.099570972            0            0            1   -188.08848    62.802727   -2278.6185 
+     200         0.02 -0.099570972            0            0            1   -188.08487     43.35108   -2278.6203 
+     250        0.025 -0.099570972            0            0            1   -188.07877    27.749821   -2278.6233 
+     300         0.03 -0.099570972            0            0            1   -188.07054    19.149389   -2278.6274 
+     350        0.035 -0.099570972            0            0            1   -188.06135    18.453387    -2278.632 
+     400         0.04 -0.099570972            0            0            1     -188.053    24.249423   -2278.6362 
+     450        0.045 -0.099570972            0            0            1   -188.04742    33.548008    -2278.639 
+     500         0.05 -0.099570972            0            0            1   -188.04604    42.973172   -2278.6397 
+     550        0.055 -0.099570972            0            0            1   -188.04935    49.902539    -2278.638 
+     600         0.06 -0.099570972            0            0            1    -188.0567    53.166772   -2278.6344 
+     650        0.065 -0.099570972            0            0            1   -188.06642    53.153416   -2278.6295 
+     700         0.07 -0.099570972            0            0            1   -188.07628    51.377187   -2278.6246 
+     750        0.075 -0.099570972            0            0            1   -188.08415    49.725449   -2278.6206 
+     800         0.08 -0.099570972            0            0            1   -188.08857    49.663576   -2278.6184 
+     850        0.085 -0.099570972            0            0            1    -188.0891    51.681567   -2278.6182 
+     900         0.09 -0.099570972            0            0            1   -188.08636    55.166554   -2278.6195 
+     950        0.095 -0.099570972            0            0            1   -188.08174    58.718232   -2278.6218 
+    1000          0.1 -0.099570972            0            0            1    -188.0769     60.75567   -2278.6243 
+Loop time of 4.6196 on 1 procs for 1000 steps with 500 atoms
+
+Performance: 1.870 ns/day, 12.832 hours/ns, 216.469 timesteps/s
+99.9% CPU use with 1 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.3116     | 2.3116     | 2.3116     |   0.0 | 50.04
+Neigh   | 0.011227   | 0.011227   | 0.011227   |   0.0 |  0.24
+Comm    | 0.032837   | 0.032837   | 0.032837   |   0.0 |  0.71
+Output  | 0.00039411 | 0.00039411 | 0.00039411 |   0.0 |  0.01
+Modify  | 2.2584     | 2.2584     | 2.2584     |   0.0 | 48.89
+Other   |            | 0.005152   |            |       |  0.11
+
+Nlocal:    500 ave 500 max 500 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1956 ave 1956 max 1956 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    24065 ave 24065 max 24065 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  48130 ave 48130 max 48130 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 48130
+Ave neighs/atom = 96.26
+Neighbor list builds = 6
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:04
diff --git a/examples/SPIN/cobalt_fcc/log.19Nov19.spin.cobalt_fcc.g++.4 b/examples/SPIN/cobalt_fcc/log.19Nov19.spin.cobalt_fcc.g++.4
new file mode 100644
index 0000000000..331ed60315
--- /dev/null
+++ b/examples/SPIN/cobalt_fcc/log.19Nov19.spin.cobalt_fcc.g++.4
@@ -0,0 +1,142 @@
+LAMMPS (30 Oct 2019)
+# fcc cobalt in a 3d periodic box
+
+clear
+units		metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice fcc 	3.54
+Lattice spacing in x,y,z = 3.54 3.54 3.54
+region box 	block 0.0 5.0 0.0 5.0 0.0 5.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (17.7 17.7 17.7)
+  1 by 2 by 2 MPI processor grid
+create_atoms 	1 box
+Created 500 atoms
+  create_atoms CPU = 0.000808001 secs
+
+# setting mass, mag. moments, and interactions for fcc cobalt
+
+mass		1 58.93
+
+#set 		group all spin/random 31 1.72
+set 		group all spin 1.72 0.0 0.0 1.0
+  500 settings made for spin
+velocity 	all create 100 4928459 rot yes dist gaussian
+
+pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0
+pair_coeff 	* * eam/alloy Co_PurjaPun_2012.eam.alloy Co
+pair_coeff 	* * spin/exchange exchange 4.0 0.0446928 0.003496 1.4885
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin zeeman 1.0 0.0 0.0 1.0
+fix_modify 	1 energy yes
+
+fix 		2 all langevin/spin 0.0 0.0 21
+
+fix 		3 all nve/spin lattice moving
+timestep	0.0001
+
+# compute and output options
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+thermo_style	custom f_1
+
+variable 	magx      equal c_out_mag[1]
+variable 	magy      equal c_out_mag[2]
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo_style    custom step time f_1 v_magx v_magy v_magnorm v_emag temp etotal
+thermo          50
+
+# compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+# dump 		1 all custom 100 dump_cobalt_fcc.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+run 		1000
+Neighbor list info ...
+  update every 10 steps, delay 20 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.59954
+  ghost atom cutoff = 6.59954
+  binsize = 3.29977, bins = 6 6 6
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair eam/alloy, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 5.664 | 5.664 | 5.664 Mbytes
+Step Time f_1 v_magx v_magy v_magnorm v_emag Temp TotEng 
+       0            0 -0.099570972            0            0            1   -188.09051    100.00543   -2372.6129 
+      50        0.005 -0.099570972            0            0            1   -188.09036    95.174807   -2372.6129 
+     100         0.01 -0.099570972            0            0            1   -188.08965    81.854304   -2372.6129 
+     150        0.015 -0.099570972            0            0            1    -188.0877    63.270938   -2372.6129 
+     200         0.02 -0.099570972            0            0            1   -188.08381    43.867262   -2372.6129 
+     250        0.025 -0.099570972            0            0            1   -188.07767    28.075261   -2372.6129 
+     300         0.03 -0.099570972            0            0            1   -188.06966    19.046222   -2372.6129 
+     350        0.035 -0.099570972            0            0            1   -188.06096     17.79071   -2372.6129 
+     400         0.04 -0.099570972            0            0            1   -188.05326    23.079994   -2372.6129 
+     450        0.045 -0.099570972            0            0            1   -188.04831    32.127316   -2372.6129 
+     500         0.05 -0.099570972            0            0            1   -188.04737    41.709644   -2372.6129 
+     550        0.055 -0.099570972            0            0            1   -188.05082    49.246292   -2372.6129 
+     600         0.06 -0.099570972            0            0            1   -188.05795    53.465535   -2372.6129 
+     650        0.065 -0.099570972            0            0            1   -188.06713    54.522857   -2372.6129 
+     700         0.07 -0.099570972            0            0            1   -188.07626    53.635521   -2372.6129 
+     750        0.075 -0.099570972            0            0            1   -188.08332    52.419678   -2372.6129 
+     800         0.08 -0.099570972            0            0            1   -188.08696    52.176558   -2372.6129 
+     850        0.085 -0.099570972            0            0            1    -188.0868    53.380592   -2372.6129 
+     900         0.09 -0.099570972            0            0            1   -188.08348    55.551378   -2372.6129 
+     950        0.095 -0.099570972            0            0            1   -188.07838    57.540047   -2372.6129 
+    1000          0.1 -0.099570972            0            0            1   -188.07314    58.088674   -2372.6129 
+Loop time of 2.54753 on 4 procs for 1000 steps with 500 atoms
+
+Performance: 3.392 ns/day, 7.076 hours/ns, 392.538 timesteps/s
+100.0% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.62017    | 0.6485     | 0.66275    |   2.1 | 25.46
+Neigh   | 0.0027115  | 0.0029724  | 0.0030868  |   0.3 |  0.12
+Comm    | 0.095047   | 0.1102     | 0.13819    |   5.0 |  4.33
+Output  | 0.00039029 | 0.00042999 | 0.00049996 |   0.0 |  0.02
+Modify  | 1.7801     | 1.7834     | 1.7852     |   0.1 | 70.01
+Other   |            | 0.002028   |            |       |  0.08
+
+Nlocal:    125 ave 133 max 116 min
+Histogram: 1 0 0 0 0 2 0 0 0 1
+Nghost:    1099 ave 1108 max 1091 min
+Histogram: 1 0 0 0 2 0 0 0 0 1
+Neighs:    6032.5 ave 6417 max 5489 min
+Histogram: 1 0 0 0 0 0 1 1 0 1
+FullNghs:  12065 ave 13062 max 10970 min
+Histogram: 1 0 0 0 0 2 0 0 0 1
+
+Total # of neighbors = 48260
+Ave neighs/atom = 96.52
+Neighbor list builds = 6
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:02
diff --git a/examples/SPIN/cobalt_hcp/in.spin.cobalt_hcp b/examples/SPIN/cobalt_hcp/in.spin.cobalt_hcp
index b9ede5f09c..dd114202cb 100644
--- a/examples/SPIN/cobalt_hcp/in.spin.cobalt_hcp
+++ b/examples/SPIN/cobalt_hcp/in.spin.cobalt_hcp
@@ -25,8 +25,7 @@ velocity 	all create 100 4928459 rot yes dist gaussian
 
 #pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0 spin/neel 4.0
 pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0
-pair_coeff 	* * eam/alloy ../examples/SPIN/cobalt_hcp/Co_PurjaPun_2012.eam.alloy Co
-#pair_coeff 	* * eam/alloy Co_PurjaPun_2012.eam.alloy Co
+pair_coeff 	* * eam/alloy Co_PurjaPun_2012.eam.alloy Co
 pair_coeff 	* * spin/exchange exchange 4.0 -0.3593 1.135028015e-05 1.064568567
 #pair_coeff 	* * spin/neel neel 4.0 0.0048 0.234 1.168 2.6905 0.705 0.652  
 
@@ -52,10 +51,10 @@ variable 	magnorm   equal c_out_mag[4]
 variable 	emag      equal c_out_mag[5]
 variable 	tmag      equal c_out_mag[6]
 
-thermo_style    custom step time v_magnorm v_emag temp etotal
+thermo_style    custom step time v_magnorm v_emag temp press etotal
 thermo          10
 
 compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 		100 all custom 1 dump_cobalt_hcp.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+dump 		1 all custom 100 dump_cobalt_hcp.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
 
-run 		20000
+run 		1000
diff --git a/examples/SPIN/cobalt_hcp/log.11May18.spin.cobalt_hcp.g++.1 b/examples/SPIN/cobalt_hcp/log.11May18.spin.cobalt_hcp.g++.1
deleted file mode 100644
index 4bb513de18..0000000000
--- a/examples/SPIN/cobalt_hcp/log.11May18.spin.cobalt_hcp.g++.1
+++ /dev/null
@@ -1,318 +0,0 @@
-LAMMPS (11 May 2018)
-# hcp cobalt in a 3d periodic box
-
-clear
-units	 	metal
-atom_style 	spin
-
-dimension 	3
-boundary 	p p p
-
-# necessary for the serial algorithm (sametag)
-atom_modify 	map array
-
-lattice 	hcp 2.5071
-Lattice spacing in x,y,z = 2.5071 4.34242 4.09408
-region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
-create_box 	1 box
-Created orthogonal box = (0 0 0) to (12.5355 21.7121 20.4704)
-  1 by 1 by 1 MPI processor grid
-create_atoms 	1 box
-Created 500 atoms
-  Time spent = 0.000801802 secs
-
-# setting mass, mag. moments, and interactions for hcp cobalt
-
-mass		1 58.93
-
-#set 		group all spin/random 31 1.72
-set 		group all spin 1.72 0.0 0.0 1.0
-  500 settings made for spin
-velocity 	all create 100 4928459 rot yes dist gaussian
-
-#pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0 spin/neel 4.0
-pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0
-pair_coeff 	* * eam/alloy Co_PurjaPun_2012.eam.alloy Co
-pair_coeff 	* * spin/exchange exchange 4.0 0.3593 1.135028015e-05 1.064568567
-#pair_coeff 	* * spin/neel neel 4.0 0.0048 0.234 1.168 2.6905 0.705 0.652
-
-
-neighbor 	0.1 bin
-neigh_modify 	every 10 check yes delay 20
-
-fix 		1 all precession/spin zeeman 1.0 0.0 0.0 1.0
-fix 		2 all langevin/spin 0.0 0.0 21
-fix 		3 all nve/spin lattice yes
-
-timestep	0.0001
-
-
-compute 	out_mag    all compute/spin
-compute 	out_pe     all pe
-compute 	out_ke     all ke
-compute 	out_temp   all temp
-
-variable 	magz      equal c_out_mag[3]
-variable 	magnorm   equal c_out_mag[4]
-variable 	emag      equal c_out_mag[5]
-variable 	tmag      equal c_out_mag[6]
-
-thermo_style    custom step time v_magnorm v_emag temp etotal
-thermo          10
-
-compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 		100 all custom 1 dump_cobalt_hcp.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
-
-run 		2000
-Neighbor list info ...
-  update every 10 steps, delay 20 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 6.59954
-  ghost atom cutoff = 6.59954
-  binsize = 3.29977, bins = 4 7 7
-  2 neighbor lists, perpetual/occasional/extra = 2 0 0
-  (1) pair eam/alloy, perpetual, half/full from (2)
-      attributes: half, newton on
-      pair build: halffull/newton
-      stencil: none
-      bin: none
-  (2) pair spin/exchange, perpetual
-      attributes: full, newton on
-      pair build: full/bin/atomonly
-      stencil: full/bin/3d
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 7.401 | 7.401 | 7.401 Mbytes
-Step Time v_magnorm v_emag Temp TotEng 
-       0            0            1   -187.29499    100.00543   -2375.8943 
-      10        0.001            1   -187.29714    99.845593   -2375.8943 
-      20        0.002            1   -187.30356    99.367234   -2375.8943 
-      30        0.003            1   -187.31419    98.573996   -2375.8943 
-      40        0.004            1   -187.32896    97.472027   -2375.8943 
-      50        0.005            1   -187.34772    96.069944   -2375.8943 
-      60        0.006            1   -187.37032    94.378764   -2375.8943 
-      70        0.007            1   -187.39656    92.411827   -2375.8943 
-      80        0.008            1    -187.4262    90.184697   -2375.8943 
-      90        0.009            1     -187.459    87.715037   -2375.8943 
-     100         0.01            1   -187.49466    85.022479   -2375.8943 
-     110        0.011            1   -187.53289    82.128462   -2375.8943 
-     120        0.012            1   -187.57334     79.05606   -2375.8943 
-     130        0.013            1   -187.61568     75.82979   -2375.8943 
-     140        0.014            1   -187.65953    72.475403   -2375.8943 
-     150        0.015            1   -187.70453    69.019658   -2375.8943 
-     160        0.016            1   -187.75028    65.490086   -2375.8943 
-     170        0.017            1   -187.79642    61.914735   -2375.8943 
-     180        0.018            1   -187.84254    58.321911   -2375.8943 
-     190        0.019            1   -187.88828    54.739907   -2375.8943 
-     200         0.02            1   -187.93324    51.196728   -2375.8943 
-     210        0.021            1   -187.97708    47.719812   -2375.8943 
-     220        0.022            1   -188.01947    44.335762   -2375.8943 
-     230        0.023            1   -188.06003     41.07007   -2375.8943 
-     240        0.024            1   -188.09853    37.946852   -2375.8944 
-     250        0.025            1   -188.13457    34.988599   -2375.8944 
-     260        0.026            1   -188.16795    32.215943   -2375.8944 
-     270        0.027            1   -188.19851    29.647465   -2375.8944 
-     280        0.028            1   -188.22593    27.299481   -2375.8944 
-     290        0.029            1   -188.25011    25.185896   -2375.8944 
-     300         0.03            1   -188.27095    23.318075   -2375.8945 
-     310        0.031            1    -188.2883     21.70475   -2375.8945 
-     320        0.032            1   -188.30213     20.35194   -2375.8945 
-     330        0.033            1   -188.31251    19.262946   -2375.8945 
-     340        0.034            1   -188.31928    18.438347   -2375.8945 
-     350        0.035            1   -188.32258    17.876036   -2375.8945 
-     360        0.036            1   -188.32249    17.571322   -2375.8945 
-     370        0.037            1   -188.31913    17.517032   -2375.8945 
-     380        0.038            1   -188.31264    17.703653   -2375.8945 
-     390        0.039            1   -188.30321    18.119513   -2375.8945 
-     400         0.04            1   -188.29102    18.750969   -2375.8945 
-     410        0.041            1    -188.2763    19.582631   -2375.8945 
-     420        0.042            1   -188.25929    20.597597   -2375.8945 
-     430        0.043            1   -188.24025    21.777699   -2375.8945 
-     440        0.044            1   -188.21945    23.103765   -2375.8945 
-     450        0.045            1   -188.19719    24.555878   -2375.8946 
-     460        0.046            1   -188.17368    26.113643   -2375.8946 
-     470        0.047            1    -188.1493    27.756439   -2375.8946 
-     480        0.048            1   -188.12429    29.463677   -2375.8946 
-     490        0.049            1   -188.09895     31.21504   -2375.8946 
-     500         0.05            1   -188.07354    32.990713   -2375.8946 
-     510        0.051            1   -188.04832    34.771601   -2375.8945 
-     520        0.052            1   -188.02358    36.539517   -2375.8945 
-     530        0.053            1   -187.99951     38.27736   -2375.8945 
-     540        0.054            1   -187.97636    39.969275   -2375.8945 
-     550        0.055            1   -187.95437    41.600775   -2375.8945 
-     560        0.056            1   -187.93364    43.158863   -2375.8944 
-     570        0.057            1    -187.9144    44.632119   -2375.8944 
-     580        0.058            1   -187.89669    46.010765   -2375.8944 
-     590        0.059            1   -187.88074    47.286714   -2375.8944 
-     600         0.06            1   -187.86658    48.453573   -2375.8944 
-     610        0.061            1   -187.85422    49.506668   -2375.8943 
-     620        0.062            1   -187.84377    50.443021   -2375.8943 
-     630        0.063            1    -187.8352    51.261297   -2375.8943 
-     640        0.064            1    -187.8285    51.961764   -2375.8943 
-     650        0.065            1    -187.8236     52.54622   -2375.8943 
-     660        0.066            1    -187.8205    53.017899   -2375.8943 
-     670        0.067            1   -187.81909    53.381374   -2375.8943 
-     680        0.068            1   -187.81926     53.64244   -2375.8943 
-     690        0.069            1   -187.82092    53.807997   -2375.8943 
-     700         0.07            1   -187.82391    53.885909   -2375.8943 
-     710        0.071            1   -187.82814    53.884865   -2375.8943 
-     720        0.072            1   -187.83339    53.814238   -2375.8943 
-     730        0.073            1   -187.83952     53.68392   -2375.8943 
-     740        0.074            1   -187.84635    53.504185   -2375.8943 
-     750        0.075            1   -187.85375    53.285525   -2375.8943 
-     760        0.076            1   -187.86153    53.038494   -2375.8943 
-     770        0.077            1   -187.86952    52.773567   -2375.8943 
-     780        0.078            1   -187.87758    52.500994   -2375.8943 
-     790        0.079            1   -187.88549    52.230655   -2375.8943 
-     800         0.08            1   -187.89313    51.971933   -2375.8943 
-     810        0.081            1   -187.90035    51.733593   -2375.8943 
-     820        0.082            1   -187.90702    51.523671   -2375.8943 
-     830        0.083            1   -187.91302    51.349376   -2375.8943 
-     840        0.084            1   -187.91824    51.217006   -2375.8943 
-     850        0.085            1    -187.9226    51.131875   -2375.8943 
-     860        0.086            1   -187.92602    51.098259   -2375.8943 
-     870        0.087            1   -187.92844    51.119356   -2375.8943 
-     880        0.088            1   -187.92979    51.197261   -2375.8943 
-     890        0.089            1   -187.93011    51.332955   -2375.8943 
-     900         0.09            1   -187.92937    51.526314   -2375.8943 
-     910        0.091            1   -187.92757     51.77613   -2375.8943 
-     920        0.092            1   -187.92475    52.080145   -2375.8943 
-     930        0.093            1   -187.92096    52.435106   -2375.8943 
-     940        0.094            1   -187.91624    52.836825   -2375.8943 
-     950        0.095            1   -187.91068    53.280251   -2375.8943 
-     960        0.096            1   -187.90435    53.759559   -2375.8943 
-     970        0.097            1   -187.89734    54.268246   -2375.8943 
-     980        0.098            1   -187.88981    54.799223   -2375.8943 
-     990        0.099            1   -187.88185    55.344928   -2375.8943 
-    1000          0.1            1   -187.87357    55.897438   -2375.8943 
-    1010        0.101            1   -187.86511    56.448585   -2375.8943 
-    1020        0.102            1    -187.8566    56.990069   -2375.8943 
-    1030        0.103            1   -187.84817    57.513575   -2375.8943 
-    1040        0.104            1   -187.83995    58.010887   -2375.8943 
-    1050        0.105            1   -187.83208    58.474004   -2375.8943 
-    1060        0.106            1    -187.8247     58.89524   -2375.8943 
-    1070        0.107            1   -187.81789    59.267328   -2375.8943 
-    1080        0.108            1   -187.81177    59.583518   -2375.8943 
-    1090        0.109            1   -187.80646    59.837665   -2375.8943 
-    1100         0.11            1   -187.80204    60.024306   -2375.8943 
-    1110        0.111            1   -187.79861    60.138734   -2375.8943 
-    1120        0.112            1   -187.79625    60.177056   -2375.8943 
-    1130        0.113            1   -187.79497    60.136244   -2375.8943 
-    1140        0.114            1   -187.79485    60.014176   -2375.8943 
-    1150        0.115            1    -187.7959    59.809665   -2375.8943 
-    1160        0.116            1   -187.79811     59.52248   -2375.8943 
-    1170        0.117            1   -187.80157    59.153353   -2375.8943 
-    1180        0.118            1   -187.80618    58.703971   -2375.8943 
-    1190        0.119            1   -187.81193    58.176956   -2375.8943 
-    1200         0.12            1   -187.81879    57.575849   -2375.8943 
-    1210        0.121            1   -187.82668    56.905072   -2375.8943 
-    1220        0.122            1   -187.83554    56.169878   -2375.8943 
-    1230        0.123            1   -187.84528    55.376297   -2375.8943 
-    1240        0.124            1   -187.85581     54.53107   -2375.8943 
-    1250        0.125            1   -187.86702    53.641573   -2375.8943 
-    1260        0.126            1    -187.8788    52.715739   -2375.8943 
-    1270        0.127            1   -187.89103    51.761969   -2375.8943 
-    1280        0.128            1   -187.90358    50.789036   -2375.8943 
-    1290        0.129            1   -187.91632    49.805988   -2375.8943 
-    1300         0.13            1   -187.92911    48.822045   -2375.8943 
-    1310        0.131            1   -187.94182    47.846491   -2375.8943 
-    1320        0.132            1   -187.95428    46.888574   -2375.8943 
-    1330        0.133            1   -187.96643    45.957394   -2375.8943 
-    1340        0.134            1    -187.9781    45.061794   -2375.8943 
-    1350        0.135            1    -187.9892    44.210263   -2375.8943 
-    1360        0.136            1   -187.99955    43.410832   -2375.8943 
-    1370        0.137            1   -188.00907    42.670979   -2375.8943 
-    1380        0.138            1   -188.01767    41.997547   -2375.8943 
-    1390        0.139            1   -188.02525    41.396655   -2375.8943 
-    1400         0.14            1   -188.03177    40.873631   -2375.8944 
-    1410        0.141            1   -188.03711    40.432952   -2375.8944 
-    1420        0.142            1   -188.04124    40.078172   -2375.8944 
-    1430        0.143            1   -188.04413    39.811902   -2375.8944 
-    1440        0.144            1   -188.04575    39.635775   -2375.8944 
-    1450        0.145            1   -188.04607    39.550435   -2375.8943 
-    1460        0.146            1   -188.04515    39.555512   -2375.8943 
-    1470        0.147            1   -188.04298    39.649651   -2375.8943 
-    1480        0.148            1   -188.03961    39.830523   -2375.8943 
-    1490        0.149            1   -188.03508    40.094865   -2375.8943 
-    1500         0.15            1   -188.02944    40.438519   -2375.8943 
-    1510        0.151            1   -188.02275    40.856491   -2375.8943 
-    1520        0.152            1   -188.01515    41.343019   -2375.8943 
-    1530        0.153            1   -188.00671    41.891643   -2375.8943 
-    1540        0.154            1   -187.99753    42.495295   -2375.8943 
-    1550        0.155            1   -187.98772     43.14639   -2375.8943 
-    1560        0.156            1    -187.9774    43.836918   -2375.8943 
-    1570        0.157            1    -187.9667    44.558553   -2375.8943 
-    1580        0.158            1   -187.95576    45.302751   -2375.8943 
-    1590        0.159            1   -187.94466    46.060862   -2375.8943 
-    1600         0.16            1   -187.93356    46.824226   -2375.8943 
-    1610        0.161            1   -187.92257    47.584289   -2375.8943 
-    1620        0.162            1   -187.91183    48.332703   -2375.8943 
-    1630        0.163            1   -187.90145    49.061422   -2375.8943 
-    1640        0.164            1   -187.89155    49.762798   -2375.8943 
-    1650        0.165            1   -187.88222    50.429671   -2375.8943 
-    1660        0.166            1   -187.87357    51.055445   -2375.8943 
-    1670        0.167            1   -187.86569    51.634167   -2375.8943 
-    1680        0.168            1   -187.85864    52.160588   -2375.8943 
-    1690        0.169            1   -187.85249    52.630219   -2375.8943 
-    1700         0.17            1    -187.8473    53.039377   -2375.8943 
-    1710        0.171            1   -187.84311    53.385221   -2375.8943 
-    1720        0.172            1   -187.83994    53.665778   -2375.8943 
-    1730        0.173            1   -187.83781    53.879954   -2375.8943 
-    1740        0.174            1   -187.83671    54.027539   -2375.8943 
-    1750        0.175            1   -187.83663    54.109201   -2375.8943 
-    1760        0.176            1   -187.83753    54.126472   -2375.8943 
-    1770        0.177            1   -187.83941    54.081708   -2375.8943 
-    1780        0.178            1    -187.8422     53.97806   -2375.8943 
-    1790        0.179            1   -187.84584    53.819424   -2375.8943 
-    1800         0.18            1   -187.85025    53.610389   -2375.8943 
-    1810        0.181            1   -187.85535    53.356163   -2375.8943 
-    1820        0.182            1   -187.86105     53.06251   -2375.8943 
-    1830        0.183            1   -187.86723    52.735671   -2375.8943 
-    1840        0.184            1   -187.87384    52.382262   -2375.8943 
-    1850        0.185            1   -187.88075    52.009201   -2375.8943 
-    1860        0.186            1   -187.88784    51.623613   -2375.8943 
-    1870        0.187            1   -187.89501    51.232726   -2375.8943 
-    1880        0.188            1   -187.90214    50.843782   -2375.8943 
-    1890        0.189            1   -187.90912    50.463929   -2375.8943 
-    1900         0.19            1   -187.91585    50.100133   -2375.8943 
-    1910        0.191            1   -187.92222    49.759075   -2375.8943 
-    1920        0.192            1   -187.92814    49.447064   -2375.8943 
-    1930        0.193            1   -187.93351    49.169949   -2375.8943 
-    1940        0.194            1   -187.93826    48.933036   -2375.8943 
-    1950        0.195            1   -187.94232    48.741013   -2375.8943 
-    1960        0.196            1   -187.94561    48.597888   -2375.8943 
-    1970        0.197            1   -187.94809    48.506926   -2375.8943 
-    1980        0.198            1   -187.94972    48.470605   -2375.8943 
-    1990        0.199            1   -187.95047    48.490576   -2375.8943 
-    2000          0.2            1   -187.95033    48.567643   -2375.8943 
-Loop time of 10.5391 on 1 procs for 2000 steps with 500 atoms
-
-Performance: 1.640 ns/day, 14.638 hours/ns, 189.770 timesteps/s
-99.6% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 4.9958     | 4.9958     | 4.9958     |   0.0 | 47.40
-Neigh   | 0.020741   | 0.020741   | 0.020741   |   0.0 |  0.20
-Comm    | 0.05899    | 0.05899    | 0.05899    |   0.0 |  0.56
-Output  | 1.1598     | 1.1598     | 1.1598     |   0.0 | 11.00
-Modify  | 4.2885     | 4.2885     | 4.2885     |   0.0 | 40.69
-Other   |            | 0.01522    |            |       |  0.14
-
-Nlocal:    500 ave 500 max 500 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    2444 ave 2444 max 2444 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    27041 ave 27041 max 27041 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  54082 ave 54082 max 54082 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 54082
-Ave neighs/atom = 108.164
-Neighbor list builds = 12
-Dangerous builds = 0
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:10
diff --git a/examples/SPIN/cobalt_hcp/log.11May18.spin.cobalt_hcp.g++.4 b/examples/SPIN/cobalt_hcp/log.11May18.spin.cobalt_hcp.g++.4
deleted file mode 100644
index 4e7e6b1b97..0000000000
--- a/examples/SPIN/cobalt_hcp/log.11May18.spin.cobalt_hcp.g++.4
+++ /dev/null
@@ -1,318 +0,0 @@
-LAMMPS (11 May 2018)
-# hcp cobalt in a 3d periodic box
-
-clear
-units	 	metal
-atom_style 	spin
-
-dimension 	3
-boundary 	p p p
-
-# necessary for the serial algorithm (sametag)
-atom_modify 	map array
-
-lattice 	hcp 2.5071
-Lattice spacing in x,y,z = 2.5071 4.34242 4.09408
-region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
-create_box 	1 box
-Created orthogonal box = (0 0 0) to (12.5355 21.7121 20.4704)
-  1 by 2 by 2 MPI processor grid
-create_atoms 	1 box
-Created 500 atoms
-  Time spent = 0.000241518 secs
-
-# setting mass, mag. moments, and interactions for hcp cobalt
-
-mass		1 58.93
-
-#set 		group all spin/random 31 1.72
-set 		group all spin 1.72 0.0 0.0 1.0
-  500 settings made for spin
-velocity 	all create 100 4928459 rot yes dist gaussian
-
-#pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0 spin/neel 4.0
-pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0
-pair_coeff 	* * eam/alloy Co_PurjaPun_2012.eam.alloy Co
-pair_coeff 	* * spin/exchange exchange 4.0 0.3593 1.135028015e-05 1.064568567
-#pair_coeff 	* * spin/neel neel 4.0 0.0048 0.234 1.168 2.6905 0.705 0.652
-
-
-neighbor 	0.1 bin
-neigh_modify 	every 10 check yes delay 20
-
-fix 		1 all precession/spin zeeman 1.0 0.0 0.0 1.0
-fix 		2 all langevin/spin 0.0 0.0 21
-fix 		3 all nve/spin lattice yes
-
-timestep	0.0001
-
-
-compute 	out_mag    all compute/spin
-compute 	out_pe     all pe
-compute 	out_ke     all ke
-compute 	out_temp   all temp
-
-variable 	magz      equal c_out_mag[3]
-variable 	magnorm   equal c_out_mag[4]
-variable 	emag      equal c_out_mag[5]
-variable 	tmag      equal c_out_mag[6]
-
-thermo_style    custom step time v_magnorm v_emag temp etotal
-thermo          10
-
-compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 		100 all custom 1 dump_cobalt_hcp.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
-
-run 		2000
-Neighbor list info ...
-  update every 10 steps, delay 20 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 6.59954
-  ghost atom cutoff = 6.59954
-  binsize = 3.29977, bins = 4 7 7
-  2 neighbor lists, perpetual/occasional/extra = 2 0 0
-  (1) pair eam/alloy, perpetual, half/full from (2)
-      attributes: half, newton on
-      pair build: halffull/newton
-      stencil: none
-      bin: none
-  (2) pair spin/exchange, perpetual
-      attributes: full, newton on
-      pair build: full/bin/atomonly
-      stencil: full/bin/3d
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 7.313 | 7.314 | 7.314 Mbytes
-Step Time v_magnorm v_emag Temp TotEng 
-       0            0            1   -187.29499    100.00543   -2375.8943 
-      10        0.001            1   -187.29721    99.841045   -2375.8943 
-      20        0.002            1   -187.30385    99.349208   -2375.8943 
-      30        0.003            1   -187.31485    98.533905   -2375.8943 
-      40        0.004            1   -187.33011    97.401749   -2375.8943 
-      50        0.005            1   -187.34949    95.961938   -2375.8943 
-      60        0.006            1   -187.37283     94.22618   -2375.8943 
-      70        0.007            1   -187.39992    92.208606   -2375.8943 
-      80        0.008            1   -187.43051     89.92566   -2375.8943 
-      90        0.009            1   -187.46434     87.39597   -2375.8943 
-     100         0.01            1    -187.5011    84.640195   -2375.8943 
-     110        0.011            1   -187.54047    81.680862   -2375.8943 
-     120        0.012            1    -187.5821    78.542172   -2375.8943 
-     130        0.013            1   -187.62564    75.249797   -2375.8943 
-     140        0.014            1   -187.67069    71.830656   -2375.8943 
-     150        0.015            1   -187.71686    68.312673   -2375.8943 
-     160        0.016            1   -187.76377    64.724523   -2375.8943 
-     170        0.017            1   -187.81099    61.095365   -2375.8943 
-     180        0.018            1   -187.85814    57.454566   -2375.8943 
-     190        0.019            1   -187.90481    53.831412   -2375.8943 
-     200         0.02            1   -187.95061    50.254822   -2375.8943 
-     210        0.021            1   -187.99517    46.753056   -2375.8943 
-     220        0.022            1   -188.03812    43.353428   -2375.8943 
-     230        0.023            1   -188.07913    40.082023   -2375.8943 
-     240        0.024            1   -188.11787    36.963429   -2375.8943 
-     250        0.025            1   -188.15409    34.020481   -2375.8943 
-     260        0.026            1    -188.1875     31.27403   -2375.8943 
-     270        0.027            1   -188.21782     28.74271   -2375.8943 
-     280        0.028            1    -188.2449     26.44276   -2375.8943 
-     290        0.029            1   -188.26857    24.387875   -2375.8943 
-     300         0.03            1   -188.28877    22.589076   -2375.8944 
-     310        0.031            1   -188.30529    21.054615   -2375.8944 
-     320        0.032            1   -188.31814    19.789913   -2375.8944 
-     330        0.033            1    -188.3273    18.797563   -2375.8944 
-     340        0.034            1   -188.33284    18.077336   -2375.8944 
-     350        0.035            1   -188.33478    17.626237   -2375.8945 
-     360        0.036            1   -188.33319    17.438611   -2375.8945 
-     370        0.037            1   -188.32824    17.506247   -2375.8945 
-     380        0.038            1   -188.32007    17.818564   -2375.8945 
-     390        0.039            1   -188.30888    18.362769   -2375.8945 
-     400         0.04            1    -188.2949    19.124086   -2375.8945 
-     410        0.041            1   -188.27837    20.085983   -2375.8945 
-     420        0.042            1   -188.25957    21.230423   -2375.8945 
-     430        0.043            1   -188.23868    22.538112   -2375.8945 
-     440        0.044            1   -188.21604    23.988778   -2375.8945 
-     450        0.045            1   -188.19195    25.561447   -2375.8945 
-     460        0.046            1   -188.16672    27.234703   -2375.8945 
-     470        0.047            1   -188.14064    28.986964   -2375.8946 
-     480        0.048            1   -188.11402    30.796738   -2375.8946 
-     490        0.049            1   -188.08713    32.642869   -2375.8945 
-     500         0.05            1   -188.06032    34.504776   -2375.8945 
-     510        0.051            1   -188.03383    36.362662   -2375.8945 
-     520        0.052            1   -188.00793    38.197721   -2375.8945 
-     530        0.053            1   -187.98284    39.992314   -2375.8945 
-     540        0.054            1   -187.95884    41.730127   -2375.8945 
-     550        0.055            1   -187.93612    43.396298   -2375.8945 
-     560        0.056            1   -187.91489     44.97754   -2375.8945 
-     570        0.057            1   -187.89524    46.462224   -2375.8945 
-     580        0.058            1   -187.87735    47.840443   -2375.8945 
-     590        0.059            1    -187.8613    49.104064   -2375.8945 
-     600         0.06            1   -187.84719    50.246744   -2375.8945 
-     610        0.061            1   -187.83509     51.26393   -2375.8944 
-     620        0.062            1   -187.82506    52.152839   -2375.8944 
-     630        0.063            1   -187.81706    52.912413   -2375.8944 
-     640        0.064            1   -187.81109    53.543272   -2375.8944 
-     650        0.065            1   -187.80708    54.047636   -2375.8944 
-     660        0.066            1   -187.80499    54.429234   -2375.8944 
-     670        0.067            1    -187.8047    54.693202   -2375.8944 
-     680        0.068            1   -187.80613    54.845965   -2375.8944 
-     690        0.069            1   -187.80914    54.895106   -2375.8944 
-     700         0.07            1   -187.81356    54.849238   -2375.8944 
-     710        0.071            1   -187.81923     54.71786   -2375.8943 
-     720        0.072            1   -187.82608    54.511181   -2375.8943 
-     730        0.073            1   -187.83388    54.239987   -2375.8943 
-     740        0.074            1   -187.84244     53.91548   -2375.8943 
-     750        0.075            1   -187.85158    53.549112   -2375.8943 
-     760        0.076            1   -187.86112    53.152433   -2375.8943 
-     770        0.077            1   -187.87086    52.736925   -2375.8943 
-     780        0.078            1   -187.88063    52.313858   -2375.8943 
-     790        0.079            1   -187.89026    51.894138   -2375.8943 
-     800         0.08            1   -187.89958    51.488169   -2375.8943 
-     810        0.081            1   -187.90842    51.105725   -2375.8943 
-     820        0.082            1   -187.91663    50.755829   -2375.8943 
-     830        0.083            1   -187.92411    50.446651   -2375.8943 
-     840        0.084            1   -187.93071    50.185404   -2375.8943 
-     850        0.085            1   -187.93637    49.978262   -2375.8943 
-     860        0.086            1   -187.94099    49.830307   -2375.8943 
-     870        0.087            1    -187.9445    49.745473   -2375.8943 
-     880        0.088            1   -187.94685    49.726517   -2375.8943 
-     890        0.089            1   -187.94802    49.774999   -2375.8943 
-     900         0.09            1   -187.94799    49.891282   -2375.8943 
-     910        0.091            1   -187.94678    50.074549   -2375.8943 
-     920        0.092            1   -187.94441    50.322833   -2375.8943 
-     930        0.093            1   -187.94093    50.633063   -2375.8943 
-     940        0.094            1   -187.93639    51.001126   -2375.8943 
-     950        0.095            1   -187.93089    51.421938   -2375.8943 
-     960        0.096            1    -187.9245    51.889531   -2375.8943 
-     970        0.097            1   -187.91733    52.397148   -2375.8943 
-     980        0.098            1    -187.9095    52.937345   -2375.8943 
-     990        0.099            1   -187.90113    53.502108   -2375.8943 
-    1000          0.1            1   -187.89236    54.082966   -2375.8943 
-    1010        0.101            1   -187.88332    54.671115   -2375.8943 
-    1020        0.102            1   -187.87415    55.257545   -2375.8943 
-    1030        0.103            1   -187.86501    55.833162   -2375.8943 
-    1040        0.104            1   -187.85602    56.388915   -2375.8943 
-    1050        0.105            1   -187.84734    56.915918   -2375.8943 
-    1060        0.106            1   -187.83909    57.405575   -2375.8943 
-    1070        0.107            1   -187.83143    57.849686   -2375.8943 
-    1080        0.108            1   -187.82446    58.240564   -2375.8943 
-    1090        0.109            1    -187.8183    58.571132   -2375.8943 
-    1100         0.11            1   -187.81306    58.835016   -2375.8943 
-    1110        0.111            1   -187.80883    59.026633   -2375.8943 
-    1120        0.112            1    -187.8057    59.141258   -2375.8943 
-    1130        0.113            1   -187.80372     59.17509   -2375.8943 
-    1140        0.114            1   -187.80295    59.125305   -2375.8943 
-    1150        0.115            1   -187.80341    58.990092   -2375.8943 
-    1160        0.116            1   -187.80515     58.76868   -2375.8943 
-    1170        0.117            1   -187.80814    58.461352   -2375.8943 
-    1180        0.118            1   -187.81244    58.069457   -2375.8943 
-    1190        0.119            1   -187.81794    57.595377   -2375.8944 
-    1200         0.12            1   -187.82458    57.042514   -2375.8944 
-    1210        0.121            1   -187.83233    56.415256   -2375.8944 
-    1220        0.122            1   -187.84112    55.718931   -2375.8944 
-    1230        0.123            1   -187.85086    54.959744   -2375.8944 
-    1240        0.124            1   -187.86145    54.144707   -2375.8944 
-    1250        0.125            1   -187.87277    53.281562   -2375.8944 
-    1260        0.126            1   -187.88471    52.378686   -2375.8944 
-    1270        0.127            1   -187.89713       51.445   -2375.8944 
-    1280        0.128            1    -187.9099    50.489858   -2375.8944 
-    1290        0.129            1   -187.92288    49.522943   -2375.8944 
-    1300         0.13            1   -187.93591    48.554147   -2375.8944 
-    1310        0.131            1   -187.94886    47.593456   -2375.8944 
-    1320        0.132            1   -187.96157    46.650829   -2375.8944 
-    1330        0.133            1   -187.97391    45.736073   -2375.8944 
-    1340        0.134            1   -187.98573    44.858733   -2375.8944 
-    1350        0.135            1   -187.99691    44.027964   -2375.8944 
-    1360        0.136            1   -188.00731    43.252426   -2375.8944 
-    1370        0.137            1   -188.01678    42.540178   -2375.8943 
-    1380        0.138            1   -188.02529    41.898568   -2375.8943 
-    1390        0.139            1    -188.0327    41.334152   -2375.8943 
-    1400         0.14            1   -188.03894    40.852606   -2375.8943 
-    1410        0.141            1   -188.04396     40.45866   -2375.8944 
-    1420        0.142            1   -188.04768    40.156041   -2375.8944 
-    1430        0.143            1   -188.05007    39.947416   -2375.8944 
-    1440        0.144            1   -188.05107    39.834367   -2375.8944 
-    1450        0.145            1    -188.0507    39.817378   -2375.8944 
-    1460        0.146            1   -188.04898    39.895828   -2375.8944 
-    1470        0.147            1   -188.04595    40.068005   -2375.8945 
-    1480        0.148            1   -188.04164    40.331129   -2375.8945 
-    1490        0.149            1   -188.03603    40.681394   -2375.8945 
-    1500         0.15            1   -188.02929    41.114003   -2375.8945 
-    1510        0.151            1   -188.02148    41.623259   -2375.8945 
-    1520        0.152            1    -188.0127     42.20263   -2375.8945 
-    1530        0.153            1   -188.00302    42.844846   -2375.8945 
-    1540        0.154            1   -187.99255    43.541977   -2375.8945 
-    1550        0.155            1   -187.98148    44.285554   -2375.8945 
-    1560        0.156            1   -187.96989    45.066666   -2375.8945 
-    1570        0.157            1   -187.95793    45.876084   -2375.8945 
-    1580        0.158            1   -187.94574    46.704378   -2375.8945 
-    1590        0.159            1   -187.93346    47.542032   -2375.8945 
-    1600         0.16            1   -187.92122    48.379564   -2375.8945 
-    1610        0.161            1   -187.90916    49.207642   -2375.8945 
-    1620        0.162            1   -187.89742      50.0172   -2375.8945 
-    1630        0.163            1   -187.88613    50.799541   -2375.8945 
-    1640        0.164            1   -187.87536    51.546446   -2375.8944 
-    1650        0.165            1   -187.86531    52.250265   -2375.8944 
-    1660        0.166            1   -187.85604    52.904001   -2375.8944 
-    1670        0.167            1   -187.84765    53.501394   -2375.8944 
-    1680        0.168            1   -187.84021    54.036987   -2375.8944 
-    1690        0.169            1   -187.83379    54.506178   -2375.8944 
-    1700         0.17            1   -187.82846    54.905273   -2375.8944 
-    1710        0.171            1   -187.82424    55.231514   -2375.8944 
-    1720        0.172            1   -187.82117    55.483104   -2375.8944 
-    1730        0.173            1   -187.81922    55.659221   -2375.8944 
-    1740        0.174            1   -187.81843    55.760007   -2375.8944 
-    1750        0.175            1   -187.81881    55.786556   -2375.8944 
-    1760        0.176            1   -187.82029    55.740888   -2375.8944 
-    1770        0.177            1   -187.82284    55.625916   -2375.8944 
-    1780        0.178            1   -187.82639    55.445397   -2375.8944 
-    1790        0.179            1   -187.83088    55.203871   -2375.8944 
-    1800         0.18            1   -187.83623    54.906597   -2375.8944 
-    1810        0.181            1   -187.84235    54.559471   -2375.8944 
-    1820        0.182            1   -187.84913    54.168949   -2375.8944 
-    1830        0.183            1   -187.85646    53.741952   -2375.8943 
-    1840        0.184            1   -187.86424     53.28578   -2375.8943 
-    1850        0.185            1   -187.87239    52.807988   -2375.8943 
-    1860        0.186            1   -187.88077      52.3163   -2375.8943 
-    1870        0.187            1   -187.88925     51.81851   -2375.8943 
-    1880        0.188            1   -187.89772    51.322368   -2375.8943 
-    1890        0.189            1   -187.90605    50.835483   -2375.8943 
-    1900         0.19            1   -187.91415    50.365218   -2375.8943 
-    1910        0.191            1   -187.92189      49.9186   -2375.8943 
-    1920        0.192            1   -187.92917    49.502222   -2375.8943 
-    1930        0.193            1   -187.93591    49.122167   -2375.8943 
-    1940        0.194            1   -187.94198    48.783928   -2375.8943 
-    1950        0.195            1   -187.94737    48.492348   -2375.8943 
-    1960        0.196            1   -187.95199     48.25154   -2375.8943 
-    1970        0.197            1   -187.95576    48.064862   -2375.8943 
-    1980        0.198            1   -187.95866    47.934875   -2375.8943 
-    1990        0.199            1   -187.96065    47.863314   -2375.8943 
-    2000          0.2            1   -187.96171    47.851079   -2375.8943 
-Loop time of 4.40076 on 4 procs for 2000 steps with 500 atoms
-
-Performance: 3.927 ns/day, 6.112 hours/ns, 454.467 timesteps/s
-96.2% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 1.2934     | 1.3683     | 1.432      |   4.2 | 31.09
-Neigh   | 0.005039   | 0.0053418  | 0.0054908  |   0.2 |  0.12
-Comm    | 0.12642    | 0.1922     | 0.26891    |  11.6 |  4.37
-Output  | 0.39256    | 0.40875    | 0.43431    |   2.5 |  9.29
-Modify  | 2.395      | 2.4202     | 2.4352     |   1.0 | 54.99
-Other   |            | 0.006007   |            |       |  0.14
-
-Nlocal:    125 ave 130 max 122 min
-Histogram: 1 1 0 1 0 0 0 0 0 1
-Nghost:    1324 ave 1330 max 1316 min
-Histogram: 1 0 0 1 0 0 0 0 0 2
-Neighs:    6747 ave 6959 max 6652 min
-Histogram: 2 1 0 0 0 0 0 0 0 1
-FullNghs:  13494 ave 14060 max 13186 min
-Histogram: 2 0 0 1 0 0 0 0 0 1
-
-Total # of neighbors = 53976
-Ave neighs/atom = 107.952
-Neighbor list builds = 12
-Dangerous builds = 0
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:04
diff --git a/examples/SPIN/cobalt_hcp/log.19Nov19.spin.cobalt_hcp.g++.1 b/examples/SPIN/cobalt_hcp/log.19Nov19.spin.cobalt_hcp.g++.1
new file mode 100644
index 0000000000..781e2264a7
--- /dev/null
+++ b/examples/SPIN/cobalt_hcp/log.19Nov19.spin.cobalt_hcp.g++.1
@@ -0,0 +1,219 @@
+LAMMPS (30 Oct 2019)
+# hcp cobalt in a 3d periodic box
+
+clear
+units	 	metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	hcp 2.5071
+Lattice spacing in x,y,z = 2.5071 4.34242 4.09408
+region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (12.5355 21.7121 20.4704)
+  1 by 1 by 1 MPI processor grid
+create_atoms 	1 box
+Created 500 atoms
+  create_atoms CPU = 0.00105 secs
+
+# setting mass, mag. moments, and interactions for hcp cobalt
+
+mass		1 58.93
+
+set 		group all spin/random 31 1.72
+  500 settings made for spin/random
+#set 		group all spin 1.72 0.0 0.0 1.0
+velocity 	all create 100 4928459 rot yes dist gaussian
+
+#pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0 spin/neel 4.0
+pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0
+pair_coeff 	* * eam/alloy Co_PurjaPun_2012.eam.alloy Co
+pair_coeff 	* * spin/exchange exchange 4.0 -0.3593 1.135028015e-05 1.064568567
+#pair_coeff 	* * spin/neel neel 4.0 0.0048 0.234 1.168 2.6905 0.705 0.652
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+#fix 		1 all precession/spin zeeman 1.0 0.0 0.0 1.0
+fix 		1 all precession/spin anisotropy 0.01 0.0 0.0 1.0
+#fix 		2 all langevin/spin 0.0 0.0 21
+fix 		2 all langevin/spin 0.0 0.1 21
+fix 		3 all nve/spin lattice moving
+
+timestep	0.0001
+
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo_style    custom step time v_magnorm v_emag temp press etotal
+thermo          10
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 100 dump_cobalt_hcp.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+run 		1000
+Neighbor list info ...
+  update every 10 steps, delay 20 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.59954
+  ghost atom cutoff = 6.59954
+  binsize = 3.29977, bins = 4 7 7
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair eam/alloy, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 7.902 | 7.902 | 7.902 Mbytes
+Step Time v_magnorm v_emag Temp Press TotEng 
+       0            0  0.076558814   -5.1073764    100.00543   -552.75983   -2189.4486 
+      10        0.001  0.074494403   -6.2746901    100.01038   -1571.7966   -2190.0317 
+      20        0.002  0.072366265   -7.4280779    99.885587   -2535.9845   -2190.5874 
+      30        0.003  0.070127018   -8.5667999    99.611653   -3445.9872   -2191.1169 
+      40        0.004  0.067755946   -9.6899272    99.164813   -4302.5715   -2191.6215 
+      50        0.005  0.065261592    -10.79648    98.520535   -5107.2841    -2192.103 
+      60        0.006  0.062676613   -11.885341    97.657148   -5862.7198   -2192.5638 
+      70        0.007  0.060046709   -12.955115    96.558718   -6572.0571   -2193.0064 
+      80        0.008  0.057417313   -14.004096    95.216748   -7238.1396   -2193.4327 
+      90        0.009  0.054822275   -15.030416    93.630634   -7862.5226   -2193.8437 
+     100         0.01  0.052277835   -16.032345     91.80711   -8445.2646   -2194.2391 
+     110        0.011  0.049783153   -17.008652    89.759163   -8985.5937   -2194.6181 
+     120        0.012  0.047326373   -17.958895    87.504922   -9483.1141     -2194.98 
+     130        0.013  0.044893289   -18.883574    85.066818   -9938.8838   -2195.3247 
+     140        0.014  0.042474822   -19.784052    82.471014   -10355.911   -2195.6533 
+     150        0.015  0.040070404   -20.662271    79.746901   -10739.081   -2195.9677 
+     160        0.016  0.037686856   -21.520294    76.926428   -11094.793   -2196.2709 
+     170        0.017  0.035334961   -22.359822    74.043181   -11430.247   -2196.5659 
+     180        0.018  0.033026799   -23.181822    71.131269   -11752.268   -2196.8556 
+     190        0.019  0.030775544   -23.986406    68.224204   -12065.774   -2197.1412 
+     200         0.02  0.028597121   -24.773013    65.353995   -12372.712   -2197.4226 
+     210        0.021  0.026511775   -25.540835     62.55053   -12672.055   -2197.6975 
+     220        0.022   0.02454383   -26.289327    59.841288   -12961.112   -2197.9631 
+     230        0.023   0.02271918   -27.018625    57.251361   -13237.544   -2198.2165 
+     240        0.024  0.021061271   -27.729714     54.80373   -13501.028   -2198.4564 
+     250        0.025  0.019587072    -28.42449    52.519717   -13754.325   -2198.6833 
+     260        0.026  0.018304494   -29.105398    50.419388   -14002.718   -2198.8994 
+     270        0.027  0.017211977   -29.775134    48.521812   -14253.089   -2199.1079 
+     280        0.028  0.016300002   -30.436204    46.845075   -14512.437   -2199.3119 
+     290        0.029  0.015553519   -31.090499    45.405985    -14786.53   -2199.5143 
+     300         0.03  0.014954102   -31.739026    44.219544   -15079.165   -2199.7168 
+     310        0.031  0.014481189   -32.381585    43.298175   -15391.531   -2199.9198 
+     320        0.032  0.014112494   -33.016984    42.650874   -15722.828   -2200.1226 
+     330        0.033  0.013824206   -33.643289    42.282535   -16070.874    -2200.324 
+     340        0.034  0.013591568   -34.258323     42.19365   -16433.065   -2200.5226 
+     350        0.035  0.013390035   -34.860184    42.380506   -16807.186   -2200.7174 
+     360        0.036   0.01319679   -35.447655    42.835832   -17191.816   -2200.9077 
+     370        0.037  0.012992271   -36.020512    43.549656   -17586.676   -2201.0935 
+     380        0.038  0.012761486   -36.579332    44.510078   -17991.857   -2201.2754 
+     390        0.039  0.012494918   -37.125414    45.703757   -18407.738   -2201.4538 
+     400         0.04    0.0121888   -37.660321    47.115967   -18834.276   -2201.6292 
+     410        0.041  0.011844474   -38.185489    48.730291   -19270.674   -2201.8019 
+     420        0.042  0.011466715    -38.70192    50.528119   -19715.276   -2201.9716 
+     430        0.043  0.011061388    -39.21005    52.488204    -20165.66   -2202.1377 
+     440        0.044  0.010633241   -39.709778    54.586528   -20618.997   -2202.2998 
+     450        0.045  0.010184696   -40.200724     56.79654   -21072.538   -2202.4571 
+     460        0.046 0.0097161044   -40.682449    59.089699   -21523.873   -2202.6094 
+     470        0.047 0.0092271788   -41.154614    61.436133   -21970.922   -2202.7565 
+     480        0.048 0.0087187266   -41.617256    63.805414    -22412.32   -2202.8989 
+     490        0.049 0.0081937768   -42.070708    66.167399   -22847.061    -2203.037 
+     500         0.05 0.0076576327    -42.51563    68.493235   -23274.619    -2203.172 
+     510        0.051 0.0071170477   -42.952841    70.756444   -23694.559   -2203.3046 
+     520        0.052  0.006579078   -43.383338    72.933996   -24106.717   -2203.4358 
+     530        0.053  0.006050144   -43.807962    75.007131   -24510.338   -2203.5662 
+     540        0.054 0.0055354475   -44.227552    76.961803   -24904.495   -2203.6957 
+     550        0.055 0.0050386503    -44.64268    78.788647   -25287.341   -2203.8241 
+     560        0.056 0.0045617699   -45.053996      80.4825    -25657.11   -2203.9504 
+     570        0.057 0.0041054334   -45.461923    82.041527   -26011.443   -2204.0737 
+     580        0.058  0.003669689   -45.866895    83.466142   -26348.265   -2204.1931 
+     590        0.059 0.0032553824   -46.269219    84.757926   -26665.834   -2204.3077 
+     600         0.06 0.0028655752   -46.669125    85.918711    -26963.24   -2204.4173 
+     610        0.061 0.0025060765   -47.066641        86.95   -27240.331   -2204.5218 
+     620        0.062 0.0021839971   -47.461566    87.852838   -27497.728   -2204.6218 
+     630        0.063 0.0019039581   -47.853462    88.628142   -27736.503   -2204.7177 
+     640        0.064 0.0016633855   -48.241747    89.277364    -27957.91     -2204.81 
+     650        0.065 0.0014502904   -48.625803    89.803307    -28163.11    -2204.899 
+     660        0.066 0.0012463786   -49.005026    90.210807   -28352.881   -2204.9847 
+     670        0.067 0.0010345087   -49.378935    90.507107   -28527.721   -2205.0668 
+     680        0.068 0.00080788134   -49.747325    90.701795   -28688.395   -2205.1453 
+     690        0.069  0.000586442   -50.110227     90.80636   -28836.094     -2205.22 
+     700         0.07 0.00046855102   -50.467799    90.833539   -28972.361   -2205.2911 
+     710        0.071 0.00061091693    -50.82044    90.796649    -29099.44   -2205.3592 
+     720        0.072 0.00094960177   -51.168606    90.709122   -29219.676   -2205.4249 
+     730        0.073 0.0013742455   -51.512913    90.584346   -29335.643   -2205.4887 
+     740        0.074 0.0018397629   -51.853957    90.435783   -29449.521   -2205.5511 
+     750        0.075 0.0023216474   -52.192407    90.277231   -29563.316   -2205.6124 
+     760        0.076 0.0028000512   -52.528883    90.123061   -29678.726   -2205.6729 
+     770        0.077 0.0032569295   -52.863859     89.98824   -29797.079   -2205.7329 
+     780        0.078 0.0036765431   -53.197843    89.888047   -29919.964   -2205.7925 
+     790        0.079 0.0040467094   -53.530921    89.837568   -30048.271   -2205.8521 
+     800         0.08 0.0043597837   -53.862938    89.850978   -30182.622   -2205.9119 
+     810        0.081 0.0046129296   -54.193489    89.940884   -30323.293   -2205.9718 
+     820        0.082 0.0048076151   -54.522077    90.117797   -30470.468   -2206.0321 
+     830        0.083  0.004948533    -54.84813    90.389814   -30624.056   -2206.0926 
+     840        0.084 0.0050423324   -55.171024    90.762454   -30783.658   -2206.1532 
+     850        0.085 0.0050965581   -55.490357    91.238681   -30949.141   -2206.2139 
+     860        0.086 0.0051190641   -55.805904    91.818973     -31120.5   -2206.2745 
+     870        0.087 0.0051180301   -56.117429    92.501449   -31297.412   -2206.3349 
+     880        0.088 0.0051024116   -56.424751    93.281992   -31479.436   -2206.3949 
+     890        0.089  0.005082454   -56.727832    94.154367   -31666.293   -2206.4544 
+     900         0.09 0.0050697645   -57.026442    95.110386   -31857.043    -2206.513 
+     910        0.091 0.0050765431   -57.320291    96.140056   -32050.436   -2206.5703 
+     920        0.092 0.0051139309   -57.609075    97.231838   -32245.079   -2206.6257 
+     930        0.093 0.0051899535    -57.89236    98.372982   -32439.141   -2206.6788 
+     940        0.094 0.0053078572   -58.169742     99.54995   -32630.727   -2206.7288 
+     950        0.095 0.0054654923    -58.44083    100.74893   -32817.882   -2206.7752 
+     960        0.096 0.0056558757   -58.705483    101.95638   -32999.116   -2206.8176 
+     970        0.097 0.0058685513   -58.963698    103.15953   -33173.159   -2206.8557 
+     980        0.098 0.0060912487   -59.215624    104.34681   -33338.961   -2206.8893 
+     990        0.099 0.0063114886   -59.461806    105.50819   -33496.345   -2206.9188 
+    1000          0.1 0.0065179843   -59.702883    106.63524   -33645.259   -2206.9444 
+Loop time of 5.20295 on 1 procs for 1000 steps with 500 atoms
+
+Performance: 1.661 ns/day, 14.453 hours/ns, 192.199 timesteps/s
+100.0% CPU use with 1 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.6241     | 2.6241     | 2.6241     |   0.0 | 50.43
+Neigh   | 0.01424    | 0.01424    | 0.01424    |   0.0 |  0.27
+Comm    | 0.041207   | 0.041207   | 0.041207   |   0.0 |  0.79
+Output  | 0.0090086  | 0.0090086  | 0.0090086  |   0.0 |  0.17
+Modify  | 2.5084     | 2.5084     | 2.5084     |   0.0 | 48.21
+Other   |            | 0.006008   |            |       |  0.12
+
+Nlocal:    500 ave 500 max 500 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    2442 ave 2442 max 2442 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    27581 ave 27581 max 27581 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  55162 ave 55162 max 55162 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 55162
+Ave neighs/atom = 110.324
+Neighbor list builds = 7
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:05
diff --git a/examples/SPIN/cobalt_hcp/log.19Nov19.spin.cobalt_hcp.g++.4 b/examples/SPIN/cobalt_hcp/log.19Nov19.spin.cobalt_hcp.g++.4
new file mode 100644
index 0000000000..de00d5be32
--- /dev/null
+++ b/examples/SPIN/cobalt_hcp/log.19Nov19.spin.cobalt_hcp.g++.4
@@ -0,0 +1,219 @@
+LAMMPS (30 Oct 2019)
+# hcp cobalt in a 3d periodic box
+
+clear
+units	 	metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	hcp 2.5071
+Lattice spacing in x,y,z = 2.5071 4.34242 4.09408
+region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (12.5355 21.7121 20.4704)
+  1 by 2 by 2 MPI processor grid
+create_atoms 	1 box
+Created 500 atoms
+  create_atoms CPU = 0.00101995 secs
+
+# setting mass, mag. moments, and interactions for hcp cobalt
+
+mass		1 58.93
+
+set 		group all spin/random 31 1.72
+  500 settings made for spin/random
+#set 		group all spin 1.72 0.0 0.0 1.0
+velocity 	all create 100 4928459 rot yes dist gaussian
+
+#pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0 spin/neel 4.0
+pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0
+pair_coeff 	* * eam/alloy Co_PurjaPun_2012.eam.alloy Co
+pair_coeff 	* * spin/exchange exchange 4.0 -0.3593 1.135028015e-05 1.064568567
+#pair_coeff 	* * spin/neel neel 4.0 0.0048 0.234 1.168 2.6905 0.705 0.652
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+#fix 		1 all precession/spin zeeman 1.0 0.0 0.0 1.0
+fix 		1 all precession/spin anisotropy 0.01 0.0 0.0 1.0
+#fix 		2 all langevin/spin 0.0 0.0 21
+fix 		2 all langevin/spin 0.0 0.1 21
+fix 		3 all nve/spin lattice moving
+
+timestep	0.0001
+
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo_style    custom step time v_magnorm v_emag temp press etotal
+thermo          10
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 100 dump_cobalt_hcp.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+run 		1000
+Neighbor list info ...
+  update every 10 steps, delay 20 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.59954
+  ghost atom cutoff = 6.59954
+  binsize = 3.29977, bins = 4 7 7
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair eam/alloy, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 7.814 | 7.814 | 7.815 Mbytes
+Step Time v_magnorm v_emag Temp Press TotEng 
+       0            0  0.076558814   -5.1073764    100.00543   -552.75983   -2190.3478 
+      10        0.001  0.074494512   -6.2728301    99.980769   -1570.0726   -2191.5261 
+      20        0.002  0.072367013   -7.4259977    99.847801   -2531.5119   -2192.6655 
+      30        0.003  0.070129365    -8.566306    99.586282   -3438.1309   -2193.7672 
+      40        0.004  0.067761178   -9.6929189    99.171132    -4291.017   -2194.8323 
+      50        0.005  0.065270916     -10.8048    98.575397   -5091.9111   -2195.8628 
+      60        0.006  0.062690557   -11.900573    97.773618   -5843.4528   -2196.8612 
+      70        0.007  0.060064592   -12.978381    96.745047    -6548.726   -2197.8306 
+      80        0.008   0.05743694   -14.035923    95.476292   -7210.2954    -2198.773 
+      90        0.009  0.054839883    -15.07074    93.963026   -7829.4252    -2199.689 
+     100         0.01  0.052288504    -16.08066    92.210482   -8405.9983   -2200.5773 
+     110        0.011  0.049782155   -17.064251    90.232741   -8939.3051   -2201.4357 
+     120        0.012  0.047311759   -18.021135    88.051042   -9429.1353   -2202.2626 
+     130        0.013  0.044869196   -18.952065    85.691573   -9876.5628   -2203.0575 
+     140        0.014  0.042453961   -19.858739     83.18315   -10284.249   -2203.8215 
+     150        0.015  0.040074171   -20.743348    80.555177   -10656.417   -2204.5569 
+     160        0.016  0.037742459      -21.608    77.836156   -10998.818   -2205.2677 
+     170        0.017  0.035470168   -22.454209    75.052994   -11318.525   -2205.9587 
+     180        0.018  0.033263447   -23.282658    72.231211   -11623.118   -2206.6354 
+     190        0.019  0.031122821   -24.093311    69.395936   -11919.248   -2207.3023 
+     200         0.02  0.029045634    -24.88579    66.573223   -12211.306   -2207.9613 
+     210        0.021  0.027029857   -25.659817    63.791041   -12500.812   -2208.6115 
+     220        0.022  0.025077742   -26.415541    61.079413   -12787.018   -2209.2498 
+     230        0.023  0.023198048   -27.153652    58.469604   -13068.277   -2209.8722 
+     240        0.024   0.02140599   -27.875313    55.992687   -13343.621   -2210.4756 
+     250        0.025  0.019720922   -28.581973    53.678031    -13613.86   -2211.0588 
+     260        0.026  0.018162738   -29.275283    51.552191    -13882.15   -2211.6232 
+     270        0.027  0.016748514   -29.956802    49.638467   -14153.137   -2212.1718 
+     280        0.028   0.01549075   -30.628043    47.957071   -14432.246   -2212.7087 
+     290        0.029  0.014397611   -31.290177    46.525552   -14724.005   -2213.2371 
+     300         0.03  0.013474315   -31.943984    45.359085   -15031.315    -2213.759 
+     310        0.031  0.012723957   -32.589853     44.47023   -15355.595    -2214.275 
+     320        0.032  0.012146358   -33.227585    43.868153   -15696.845   -2214.7851 
+     330        0.033  0.011734827   -33.856656    43.557623   -16054.887    -2215.289 
+     340        0.034  0.011472508   -34.476313    43.538346    -16429.77   -2215.7871 
+     350        0.035  0.011330772   -35.085716    43.805034   -16821.627   -2216.2802 
+     360        0.036  0.011271169   -35.684147    44.348312    -17230.21   -2216.7687 
+     370        0.037   0.01125027   -36.271215    45.156046   -17654.485   -2217.2524 
+     380        0.038  0.011225354   -36.847053    46.214576   -18092.623   -2217.7301 
+     390        0.039  0.011159026   -37.412284    47.509345   -18542.156   -2218.2003 
+     400         0.04  0.011022073   -37.967916    49.024843   -19000.554   -2218.6614 
+     410        0.041   0.01079477   -38.515123    50.744046   -19465.713   -2219.1128 
+     420        0.042  0.010467095   -39.054921    52.647653   -19935.873   -2219.5544 
+     430        0.043  0.010038219   -39.588034    54.713405   -20409.666   -2219.9869 
+     440        0.044 0.0095155267   -40.114703    56.915658   -20885.556   -2220.4109 
+     450        0.045 0.0089134996   -40.634722    59.225397   -21361.621   -2220.8268 
+     460        0.046 0.0082528918   -41.147681    61.610799   -21835.762   -2221.2347 
+     470        0.047 0.0075606723   -41.653088    64.038349   -22305.687   -2221.6343 
+     480        0.048 0.0068707613   -42.150486    66.474377   -22768.948   -2222.0253 
+     490        0.049 0.0062249854   -42.639704    68.886721   -23223.418   -2222.4076 
+     500         0.05 0.0056723593   -43.120772     71.24617   -23667.077   -2222.7814 
+     510        0.051   0.00526312    -43.59404    73.527392   -24098.459    -2223.147 
+     520        0.052 0.0050342241   -44.059917    75.709206   -24516.163   -2223.5051 
+     530        0.053 0.0049906301   -44.518898    77.774314   -24919.192   -2223.8564 
+     540        0.054 0.0050976586   -44.971364    79.708763   -25306.611   -2224.2014 
+     550        0.055 0.0052941974   -45.417577    81.501347    -25677.67   -2224.5405 
+     560        0.056 0.0055157717   -45.857628    83.143173   -26031.673   -2224.8736 
+     570        0.057 0.0057113414   -46.291426    84.627457   -26367.904   -2225.2003 
+     580        0.058 0.0058493207   -46.718709    85.949497     -26685.6     -2225.52 
+     590        0.059 0.0059162201   -47.139052     87.10679   -26984.124   -2225.8316 
+     600         0.06 0.0059118584   -47.551892    88.099176   -27263.145   -2226.1347 
+     610        0.061  0.005843747   -47.956571    88.928929   -27522.773   -2226.4287 
+     620        0.062 0.0057222223   -48.352422    89.600763   -27763.549   -2226.7139 
+     630        0.063 0.0055570967   -48.738876     90.12173   -27986.321   -2226.9905 
+     640        0.064 0.0053558993   -49.115723    90.501081   -28192.238   -2227.2593 
+     650        0.065 0.0051233209   -49.483122    90.750056     -28382.3   -2227.5205 
+     660        0.066 0.0048614512   -49.841791    90.881635   -28557.623   -2227.7746 
+     670        0.067 0.0045706003   -50.192974    90.910245   -28719.422   -2228.0219 
+     680        0.068 0.0042506564   -50.538196    90.851397   -28868.809   -2228.2627 
+     690        0.069 0.0039028575   -50.879364    90.721317   -29007.619   -2228.4973 
+     700         0.07 0.0035319814   -51.218193    90.536521   -29137.623   -2228.7265 
+     710        0.071 0.0031491486   -51.556251    90.313501   -29261.193   -2228.9511 
+     720        0.072 0.0027758205   -51.894643    90.068503   -29380.924   -2229.1724 
+     730        0.073  0.002449449   -52.233987    89.817462   -29499.606   -2229.3917 
+     740        0.074 0.0022276613   -52.574465     89.57612   -29620.196   -2229.6103 
+     750        0.075 0.0021767124   -52.915641    89.360246   -29744.882    -2229.829 
+     760        0.076 0.0023310362   -53.256843    89.185838   -29875.573   -2230.0485 
+     770        0.077 0.0026637349   -53.597197    89.069228   -30013.477   -2230.2685 
+     780        0.078 0.0031129938    -53.93565    89.026943   -30158.812   -2230.4882 
+     790        0.079 0.0036204667   -54.271339    89.075322   -30311.602   -2230.7066 
+     800         0.08 0.0041448552   -54.603455    89.229912   -30471.244   -2230.9226 
+     810        0.081 0.0046613106   -54.931421    89.504766   -30636.938   -2231.1352 
+     820        0.082 0.0051580947   -55.255056    89.911726   -30808.087   -2231.3434 
+     830        0.083 0.0056329652   -55.574491    90.459766   -30984.153   -2231.5469 
+     840        0.084 0.0060893356   -55.890024    91.154456   -31164.372   -2231.7452 
+     850        0.085 0.0065324419   -56.202052    91.997528   -31347.792   -2231.9379 
+     860        0.086 0.0069661977   -56.511206    92.986622   -31533.977   -2232.1249 
+     870        0.087 0.0073913051   -56.817814    94.115192    -31721.92    -2232.306 
+     880        0.088 0.0078048547   -57.122061    95.372548   -31910.795   -2232.4809 
+     890        0.089  0.008201165   -57.423984    96.744135   -32100.108     -2232.65 
+     900         0.09 0.0085732702   -57.723377    98.212046   -32289.532   -2232.8136 
+     910        0.091 0.0089144724   -58.019938    99.755667   -32479.154   -2232.9728 
+     920        0.092 0.0092194916   -58.313266    101.35254   -32669.227   -2233.1285 
+     930        0.093 0.0094849872   -58.602956    102.97932   -32860.091   -2233.2822 
+     940        0.094 0.0097093572   -58.888668    104.61271   -33051.981   -2233.4348 
+     950        0.095 0.0098920175   -59.169925    106.23045   -33244.279   -2233.5871 
+     960        0.096   0.01003244    -59.44662    107.81212   -33436.562   -2233.7396 
+     970        0.097  0.010129313   -59.718668    109.33976   -33627.714   -2233.8925 
+     980        0.098  0.010180127   -59.986126    110.79823   -33816.218   -2234.0455 
+     990        0.099  0.010181304    -60.24929    112.17528   -34000.522   -2234.1984 
+    1000          0.1   0.01012881   -60.508632    113.46137   -34179.052   -2234.3508 
+Loop time of 2.93788 on 4 procs for 1000 steps with 500 atoms
+
+Performance: 2.941 ns/day, 8.161 hours/ns, 340.381 timesteps/s
+100.0% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.72349    | 0.73783    | 0.7554     |   1.3 | 25.11
+Neigh   | 0.00353    | 0.0036981  | 0.0038559  |   0.2 |  0.13
+Comm    | 0.12285    | 0.14476    | 0.16041    |   3.6 |  4.93
+Output  | 0.0046515  | 0.0047909  | 0.0050418  |   0.2 |  0.16
+Modify  | 2.0407     | 2.0439     | 2.0482     |   0.2 | 69.57
+Other   |            | 0.00288    |            |       |  0.10
+
+Nlocal:    125 ave 136 max 119 min
+Histogram: 1 1 1 0 0 0 0 0 0 1
+Nghost:    1324 ave 1331 max 1310 min
+Histogram: 1 0 0 0 0 0 0 0 2 1
+Neighs:    6897.25 ave 7552 max 6604 min
+Histogram: 2 1 0 0 0 0 0 0 0 1
+FullNghs:  13794.5 ave 15117 max 13164 min
+Histogram: 2 0 1 0 0 0 0 0 0 1
+
+Total # of neighbors = 55178
+Ave neighs/atom = 110.356
+Neighbor list builds = 7
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:02
diff --git a/examples/SPIN/dipole_spin/in.spin.iron_dipole_cut b/examples/SPIN/dipole_spin/in.spin.iron_dipole_cut
index 34f7fea0d3..9c256338a2 100644
--- a/examples/SPIN/dipole_spin/in.spin.iron_dipole_cut
+++ b/examples/SPIN/dipole_spin/in.spin.iron_dipole_cut
@@ -11,7 +11,7 @@ boundary 	p p p
 atom_modify 	map array 
 
 lattice 	bcc 2.8665
-region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
+region 		box block 0.0 12.0 0.0 12.0 0.0 12.0
 create_box 	1 box
 create_atoms 	1 box
 
@@ -56,4 +56,4 @@ thermo          50
 compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
 dump 		1 all custom 100 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
 
-run 		2000
+run 		100
diff --git a/examples/SPIN/dipole_spin/in.spin.iron_dipole_ewald b/examples/SPIN/dipole_spin/in.spin.iron_dipole_ewald
index f694bc5ddc..560fcbb650 100644
--- a/examples/SPIN/dipole_spin/in.spin.iron_dipole_ewald
+++ b/examples/SPIN/dipole_spin/in.spin.iron_dipole_ewald
@@ -11,7 +11,7 @@ boundary 	p p p
 atom_modify 	map array 
 
 lattice 	bcc 2.8665
-region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
+region 		box block 0.0 12.0 0.0 12.0 0.0 12.0
 create_box 	1 box
 create_atoms 	1 box
 
@@ -58,4 +58,4 @@ thermo          50
 compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
 dump 		1 all custom 100 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
 
-run 		2000
+run 		100
diff --git a/examples/SPIN/dipole_spin/in.spin.iron_dipole_pppm b/examples/SPIN/dipole_spin/in.spin.iron_dipole_pppm
index 4175038ade..28d79e3d3e 100644
--- a/examples/SPIN/dipole_spin/in.spin.iron_dipole_pppm
+++ b/examples/SPIN/dipole_spin/in.spin.iron_dipole_pppm
@@ -11,7 +11,7 @@ boundary 	p p p
 atom_modify 	map array 
 
 lattice 	bcc 2.8665
-region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
+region 		box block 0.0 12.0 0.0 12.0 0.0 12.0
 create_box 	1 box
 create_atoms 	1 box
 
@@ -59,4 +59,4 @@ thermo          50
 compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
 dump 		1 all custom 100 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
 
-run 		2000
+run 		100
diff --git a/examples/SPIN/dipole_spin/log.19Nov19.spin.iron_dipole_cut.g++.1 b/examples/SPIN/dipole_spin/log.19Nov19.spin.iron_dipole_cut.g++.1
new file mode 100644
index 0000000000..c2af23d167
--- /dev/null
+++ b/examples/SPIN/dipole_spin/log.19Nov19.spin.iron_dipole_cut.g++.1
@@ -0,0 +1,125 @@
+LAMMPS (30 Oct 2019)
+# bcc iron in a 3d periodic box
+
+clear
+units 		metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	bcc 2.8665
+Lattice spacing in x,y,z = 2.8665 2.8665 2.8665
+region 		box block 0.0 12.0 0.0 12.0 0.0 12.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (34.398 34.398 34.398)
+  1 by 1 by 1 MPI processor grid
+create_atoms 	1 box
+Created 3456 atoms
+  create_atoms CPU = 0.000741005 secs
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 55.845
+set 		group all spin 2.2 -1.0 0.0 0.0
+  3456 settings made for spin
+velocity 	all create 100 4928459 rot yes dist gaussian
+
+pair_style 	hybrid/overlay eam/alloy spin/exchange 3.5 spin/dipole/cut 8.0
+pair_coeff 	* * eam/alloy Fe_Mishin2006.eam.alloy Fe
+pair_coeff 	* * spin/exchange exchange 3.4 0.02726 0.2171 1.841
+pair_coeff      * * spin/dipole/cut 8.0
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin cubic 0.001 0.0005 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0
+fix_modify 	1 energy yes
+fix 		2 all langevin/spin 0.0 0.0 21
+
+fix 		3 all nve/spin lattice moving
+timestep	0.0001
+
+# compute and output options
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magx      equal c_out_mag[1]
+variable 	magy      equal c_out_mag[2]
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo_style    custom step time v_magx v_magy v_magz v_magnorm v_tmag v_emag pe etotal
+thermo          50
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 100 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+run 		100
+Neighbor list info ...
+  update every 10 steps, delay 20 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 8.1
+  ghost atom cutoff = 8.1
+  binsize = 4.05, bins = 9 9 9
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair eam/alloy, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (3) pair spin/dipole/cut, perpetual, copy from (2)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 13.4 | 13.4 | 13.4 Mbytes
+Step Time v_magx v_magy v_magz v_magnorm v_tmag v_emag PotEng TotEng 
+       0            0           -1            0            0            1 1.0737264e-35   -768.37511   -15175.868   -15131.207 
+      50        0.005           -1 -2.7722752e-10 -2.1828666e-10            1 6.8846921e-09   -768.35793   -15174.244   -15131.215 
+     100         0.01           -1 -2.0983066e-09 -1.7330951e-09            1 1.0038885e-08   -768.30868   -15169.656    -15131.24 
+Loop time of 7.86359 on 1 procs for 100 steps with 3456 atoms
+
+Performance: 0.110 ns/day, 218.433 hours/ns, 12.717 timesteps/s
+100.0% CPU use with 1 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 3.6134     | 3.6134     | 3.6134     |   0.0 | 45.95
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.014062   | 0.014062   | 0.014062   |   0.0 |  0.18
+Output  | 0.006057   | 0.006057   | 0.006057   |   0.0 |  0.08
+Modify  | 4.226      | 4.226      | 4.226      |   0.0 | 53.74
+Other   |            | 0.004064   |            |       |  0.05
+
+Nlocal:    3456 ave 3456 max 3456 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    7289 ave 7289 max 7289 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    290304 ave 290304 max 290304 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  580608 ave 580608 max 580608 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 580608
+Ave neighs/atom = 168
+Neighbor list builds = 0
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:07
diff --git a/examples/SPIN/dipole_spin/log.19Nov19.spin.iron_dipole_cut.g++.4 b/examples/SPIN/dipole_spin/log.19Nov19.spin.iron_dipole_cut.g++.4
new file mode 100644
index 0000000000..1f8157bb29
--- /dev/null
+++ b/examples/SPIN/dipole_spin/log.19Nov19.spin.iron_dipole_cut.g++.4
@@ -0,0 +1,125 @@
+LAMMPS (30 Oct 2019)
+# bcc iron in a 3d periodic box
+
+clear
+units 		metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	bcc 2.8665
+Lattice spacing in x,y,z = 2.8665 2.8665 2.8665
+region 		box block 0.0 12.0 0.0 12.0 0.0 12.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (34.398 34.398 34.398)
+  1 by 2 by 2 MPI processor grid
+create_atoms 	1 box
+Created 3456 atoms
+  create_atoms CPU = 0.00090003 secs
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 55.845
+set 		group all spin 2.2 -1.0 0.0 0.0
+  3456 settings made for spin
+velocity 	all create 100 4928459 rot yes dist gaussian
+
+pair_style 	hybrid/overlay eam/alloy spin/exchange 3.5 spin/dipole/cut 8.0
+pair_coeff 	* * eam/alloy Fe_Mishin2006.eam.alloy Fe
+pair_coeff 	* * spin/exchange exchange 3.4 0.02726 0.2171 1.841
+pair_coeff      * * spin/dipole/cut 8.0
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin cubic 0.001 0.0005 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0
+fix_modify 	1 energy yes
+fix 		2 all langevin/spin 0.0 0.0 21
+
+fix 		3 all nve/spin lattice moving
+timestep	0.0001
+
+# compute and output options
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magx      equal c_out_mag[1]
+variable 	magy      equal c_out_mag[2]
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo_style    custom step time v_magx v_magy v_magz v_magnorm v_tmag v_emag pe etotal
+thermo          50
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 100 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+run 		100
+Neighbor list info ...
+  update every 10 steps, delay 20 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 8.1
+  ghost atom cutoff = 8.1
+  binsize = 4.05, bins = 9 9 9
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair eam/alloy, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (3) pair spin/dipole/cut, perpetual, copy from (2)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 9.217 | 9.217 | 9.217 Mbytes
+Step Time v_magx v_magy v_magz v_magnorm v_tmag v_emag PotEng TotEng 
+       0            0           -1            0            0            1 1.0737264e-35   -768.37511   -15560.055   -15515.394 
+      50        0.005           -1 9.6204015e-11 -3.3767807e-10            1 6.6905249e-09   -768.35767   -15558.438   -15515.394 
+     100         0.01           -1 7.8881609e-10 -2.7017321e-09            1 9.8111281e-09   -768.30769   -15553.868   -15515.394 
+Loop time of 2.29116 on 4 procs for 100 steps with 3456 atoms
+
+Performance: 0.377 ns/day, 63.643 hours/ns, 43.646 timesteps/s
+99.9% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.92259    | 0.92963    | 0.93393    |   0.4 | 40.57
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.02284    | 0.027597   | 0.035185   |   2.8 |  1.20
+Output  | 0.0018489  | 0.0018544  | 0.0018642  |   0.0 |  0.08
+Modify  | 1.3296     | 1.3303     | 1.3308     |   0.0 | 58.06
+Other   |            | 0.001818   |            |       |  0.08
+
+Nlocal:    864 ave 864 max 864 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Nghost:    3785 ave 3785 max 3785 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Neighs:    72576 ave 72576 max 72576 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  145152 ave 145152 max 145152 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 580608
+Ave neighs/atom = 168
+Neighbor list builds = 0
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:02
diff --git a/examples/SPIN/dipole_spin/log.19Nov19.spin.iron_dipole_ewald.g++.1 b/examples/SPIN/dipole_spin/log.19Nov19.spin.iron_dipole_ewald.g++.1
new file mode 100644
index 0000000000..9a38445af5
--- /dev/null
+++ b/examples/SPIN/dipole_spin/log.19Nov19.spin.iron_dipole_ewald.g++.1
@@ -0,0 +1,135 @@
+LAMMPS (30 Oct 2019)
+# bcc iron in a 3d periodic box
+
+clear
+units 		metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	bcc 2.8665
+Lattice spacing in x,y,z = 2.8665 2.8665 2.8665
+region 		box block 0.0 12.0 0.0 12.0 0.0 12.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (34.398 34.398 34.398)
+  1 by 1 by 1 MPI processor grid
+create_atoms 	1 box
+Created 3456 atoms
+  create_atoms CPU = 0.00166988 secs
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 55.845
+set 		group all spin 2.2 -1.0 0.0 0.0
+  3456 settings made for spin
+velocity 	all create 100 4928459 rot yes dist gaussian
+
+pair_style 	hybrid/overlay eam/alloy spin/exchange 3.5 spin/dipole/long 8.0
+pair_coeff 	* * eam/alloy Fe_Mishin2006.eam.alloy Fe
+pair_coeff 	* * spin/exchange exchange 3.4 0.02726 0.2171 1.841
+pair_coeff	* * spin/dipole/long 8.0
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+kspace_style 	ewald/dipole/spin 1.0e-4
+
+fix 		1 all precession/spin cubic 0.001 0.0005 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0
+fix_modify 	1 energy yes
+fix 		2 all langevin/spin 0.0 0.0 21
+
+fix 		3 all nve/spin lattice moving
+timestep	0.0001
+
+# compute and output options
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magx      equal c_out_mag[1]
+variable 	magy      equal c_out_mag[2]
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo_style    custom step time v_magx v_magy v_magz v_magnorm v_tmag v_emag pe etotal
+thermo          50
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 100 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+run 		100
+EwaldDipoleSpin initialization ...
+  using 12-bit tables for long-range coulomb (../kspace.cpp:323)
+  G vector (1/distance) = 0.324623
+  estimated absolute RMS force accuracy = 9.55526e-84
+  estimated relative force accuracy = 6.63576e-85
+  KSpace vectors: actual max1d max3d = 2084 10 4630
+                  kxmax kymax kzmax  = 10 10 10
+Neighbor list info ...
+  update every 10 steps, delay 20 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 8.1
+  ghost atom cutoff = 8.1
+  binsize = 4.05, bins = 9 9 9
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair eam/alloy, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (3) pair spin/dipole/long, perpetual, copy from (2)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 30.07 | 30.07 | 30.07 Mbytes
+Step Time v_magx v_magy v_magz v_magnorm v_tmag v_emag PotEng TotEng 
+       0            0           -1            0            0            1 2.5872886e-37   -767.88567    -15175.39   -15130.729 
+      50        0.005           -1 4.3660916e-09 -2.1918692e-09            1 5.3480999e-10   -767.86847   -15173.766   -15130.738 
+     100         0.01           -1 9.9854966e-09 -4.2823677e-09            1 2.3267629e-09   -767.81917   -15169.178   -15130.762 
+Loop time of 24.9345 on 1 procs for 100 steps with 3456 atoms
+
+Performance: 0.035 ns/day, 692.624 hours/ns, 4.011 timesteps/s
+100.0% CPU use with 1 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 4.8022     | 4.8022     | 4.8022     |   0.0 | 19.26
+Kspace  | 10.337     | 10.337     | 10.337     |   0.0 | 41.46
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.013856   | 0.013856   | 0.013856   |   0.0 |  0.06
+Output  | 0.007138   | 0.007138   | 0.007138   |   0.0 |  0.03
+Modify  | 9.7705     | 9.7705     | 9.7705     |   0.0 | 39.18
+Other   |            | 0.004077   |            |       |  0.02
+
+Nlocal:    3456 ave 3456 max 3456 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    7289 ave 7289 max 7289 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    290304 ave 290304 max 290304 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  580608 ave 580608 max 580608 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 580608
+Ave neighs/atom = 168
+Neighbor list builds = 0
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:25
diff --git a/examples/SPIN/dipole_spin/log.19Nov19.spin.iron_dipole_ewald.g++.4 b/examples/SPIN/dipole_spin/log.19Nov19.spin.iron_dipole_ewald.g++.4
new file mode 100644
index 0000000000..306799f576
--- /dev/null
+++ b/examples/SPIN/dipole_spin/log.19Nov19.spin.iron_dipole_ewald.g++.4
@@ -0,0 +1,135 @@
+LAMMPS (30 Oct 2019)
+# bcc iron in a 3d periodic box
+
+clear
+units 		metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	bcc 2.8665
+Lattice spacing in x,y,z = 2.8665 2.8665 2.8665
+region 		box block 0.0 12.0 0.0 12.0 0.0 12.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (34.398 34.398 34.398)
+  1 by 2 by 2 MPI processor grid
+create_atoms 	1 box
+Created 3456 atoms
+  create_atoms CPU = 0.00088191 secs
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 55.845
+set 		group all spin 2.2 -1.0 0.0 0.0
+  3456 settings made for spin
+velocity 	all create 100 4928459 rot yes dist gaussian
+
+pair_style 	hybrid/overlay eam/alloy spin/exchange 3.5 spin/dipole/long 8.0
+pair_coeff 	* * eam/alloy Fe_Mishin2006.eam.alloy Fe
+pair_coeff 	* * spin/exchange exchange 3.4 0.02726 0.2171 1.841
+pair_coeff	* * spin/dipole/long 8.0
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+kspace_style 	ewald/dipole/spin 1.0e-4
+
+fix 		1 all precession/spin cubic 0.001 0.0005 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0
+fix_modify 	1 energy yes
+fix 		2 all langevin/spin 0.0 0.0 21
+
+fix 		3 all nve/spin lattice moving
+timestep	0.0001
+
+# compute and output options
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magx      equal c_out_mag[1]
+variable 	magy      equal c_out_mag[2]
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo_style    custom step time v_magx v_magy v_magz v_magnorm v_tmag v_emag pe etotal
+thermo          50
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 100 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+run 		100
+EwaldDipoleSpin initialization ...
+  using 12-bit tables for long-range coulomb (../kspace.cpp:323)
+  G vector (1/distance) = 0.324623
+  estimated absolute RMS force accuracy = 9.29828e-84
+  estimated relative force accuracy = 6.4573e-85
+  KSpace vectors: actual max1d max3d = 2084 10 4630
+                  kxmax kymax kzmax  = 10 10 10
+Neighbor list info ...
+  update every 10 steps, delay 20 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 8.1
+  ghost atom cutoff = 8.1
+  binsize = 4.05, bins = 9 9 9
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair eam/alloy, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (3) pair spin/dipole/long, perpetual, copy from (2)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 25.89 | 25.89 | 25.89 Mbytes
+Step Time v_magx v_magy v_magz v_magnorm v_tmag v_emag PotEng TotEng 
+       0            0           -1            0            0            1 3.5107565e-37   -767.88567   -15559.577   -15514.916 
+      50        0.005           -1 4.3196063e-09 -2.1966927e-09            1 5.1719577e-10   -767.86822    -15557.96   -15514.916 
+     100         0.01           -1 9.7636593e-09 -4.3236953e-09            1 2.2443181e-09   -767.81819    -15553.39   -15514.916 
+Loop time of 6.80139 on 4 procs for 100 steps with 3456 atoms
+
+Performance: 0.127 ns/day, 188.927 hours/ns, 14.703 timesteps/s
+100.0% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.248      | 1.2649     | 1.2816     |   1.1 | 18.60
+Kspace  | 2.523      | 2.5743     | 2.6505     |   3.0 | 37.85
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.029461   | 0.087268   | 0.13754    |  13.0 |  1.28
+Output  | 0.0018618  | 0.001869   | 0.0018811  |   0.0 |  0.03
+Modify  | 2.8692     | 2.8709     | 2.8741     |   0.1 | 42.21
+Other   |            | 0.002119   |            |       |  0.03
+
+Nlocal:    864 ave 864 max 864 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Nghost:    3785 ave 3785 max 3785 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Neighs:    72576 ave 72576 max 72576 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  145152 ave 145152 max 145152 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 580608
+Ave neighs/atom = 168
+Neighbor list builds = 0
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:06
diff --git a/examples/SPIN/dipole_spin/log.19Nov19.spin.iron_dipole_pppm.g++.1 b/examples/SPIN/dipole_spin/log.19Nov19.spin.iron_dipole_pppm.g++.1
new file mode 100644
index 0000000000..b0e87d786d
--- /dev/null
+++ b/examples/SPIN/dipole_spin/log.19Nov19.spin.iron_dipole_pppm.g++.1
@@ -0,0 +1,137 @@
+LAMMPS (30 Oct 2019)
+# bcc iron in a 3d periodic box
+
+clear
+units 		metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	bcc 2.8665
+Lattice spacing in x,y,z = 2.8665 2.8665 2.8665
+region 		box block 0.0 12.0 0.0 12.0 0.0 12.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (34.398 34.398 34.398)
+  1 by 1 by 1 MPI processor grid
+create_atoms 	1 box
+Created 3456 atoms
+  create_atoms CPU = 0.00166583 secs
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 55.845
+set 		group all spin 2.2 -1.0 0.0 0.0
+  3456 settings made for spin
+velocity 	all create 100 4928459 rot yes dist gaussian
+
+pair_style 	hybrid/overlay eam/alloy spin/exchange 3.5 spin/dipole/long 8.0
+pair_coeff 	* * eam/alloy Fe_Mishin2006.eam.alloy Fe
+pair_coeff 	* * spin/exchange exchange 3.4 0.02726 0.2171 1.841
+pair_coeff	* * spin/dipole/long 8.0
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+kspace_style 	pppm/dipole/spin 1.0e-4
+kspace_modify 	compute yes
+
+fix 		1 all precession/spin cubic 0.001 0.0005 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0
+fix_modify 	1 energy yes
+fix 		2 all langevin/spin 0.0 0.0 21
+
+fix 		3 all nve/spin lattice moving
+timestep	0.0001
+
+# compute and output options
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magx      equal c_out_mag[1]
+variable 	magy      equal c_out_mag[2]
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo_style    custom step time v_magx v_magy v_magz v_magnorm v_tmag v_emag pe etotal
+thermo          50
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 100 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+run 		100
+PPPMDipoleSpin initialization ...
+  G vector (1/distance) = 0.329367
+  grid = 20 20 20
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.00175808
+  estimated relative force accuracy = 0.000122092
+  using double precision FFTs
+  3d grid and FFT values/proc = 15625 8000
+Neighbor list info ...
+  update every 10 steps, delay 20 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 8.1
+  ghost atom cutoff = 8.1
+  binsize = 4.05, bins = 9 9 9
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair eam/alloy, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (3) pair spin/dipole/long, perpetual, copy from (2)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 16.27 | 16.27 | 16.27 Mbytes
+Step Time v_magx v_magy v_magz v_magnorm v_tmag v_emag PotEng TotEng 
+       0            0           -1            0            0            1 3.7996771e-37   -767.89759   -15175.402   -15130.741 
+      50        0.005           -1 3.6585337e-09 -1.9445403e-09            1 5.1405121e-10   -767.88039   -15173.779    -15130.75 
+     100         0.01           -1 7.3585728e-09 -3.8640878e-09            1 2.0194927e-09   -767.83109   -15169.191   -15130.774 
+Loop time of 15.3615 on 1 procs for 100 steps with 3456 atoms
+
+Performance: 0.056 ns/day, 426.709 hours/ns, 6.510 timesteps/s
+99.9% CPU use with 1 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 4.8418     | 4.8418     | 4.8418     |   0.0 | 31.52
+Kspace  | 0.66626    | 0.66626    | 0.66626    |   0.0 |  4.34
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.014248   | 0.014248   | 0.014248   |   0.0 |  0.09
+Output  | 0.0064788  | 0.0064788  | 0.0064788  |   0.0 |  0.04
+Modify  | 9.8279     | 9.8279     | 9.8279     |   0.0 | 63.98
+Other   |            | 0.00478    |            |       |  0.03
+
+Nlocal:    3456 ave 3456 max 3456 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    7289 ave 7289 max 7289 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    290304 ave 290304 max 290304 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  580608 ave 580608 max 580608 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 580608
+Ave neighs/atom = 168
+Neighbor list builds = 0
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:16
diff --git a/examples/SPIN/dipole_spin/log.19Nov19.spin.iron_dipole_pppm.g++.4 b/examples/SPIN/dipole_spin/log.19Nov19.spin.iron_dipole_pppm.g++.4
new file mode 100644
index 0000000000..4fbd0eb52b
--- /dev/null
+++ b/examples/SPIN/dipole_spin/log.19Nov19.spin.iron_dipole_pppm.g++.4
@@ -0,0 +1,137 @@
+LAMMPS (30 Oct 2019)
+# bcc iron in a 3d periodic box
+
+clear
+units 		metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	bcc 2.8665
+Lattice spacing in x,y,z = 2.8665 2.8665 2.8665
+region 		box block 0.0 12.0 0.0 12.0 0.0 12.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (34.398 34.398 34.398)
+  1 by 2 by 2 MPI processor grid
+create_atoms 	1 box
+Created 3456 atoms
+  create_atoms CPU = 0.00123286 secs
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 55.845
+set 		group all spin 2.2 -1.0 0.0 0.0
+  3456 settings made for spin
+velocity 	all create 100 4928459 rot yes dist gaussian
+
+pair_style 	hybrid/overlay eam/alloy spin/exchange 3.5 spin/dipole/long 8.0
+pair_coeff 	* * eam/alloy Fe_Mishin2006.eam.alloy Fe
+pair_coeff 	* * spin/exchange exchange 3.4 0.02726 0.2171 1.841
+pair_coeff	* * spin/dipole/long 8.0
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+kspace_style 	pppm/dipole/spin 1.0e-4
+kspace_modify 	compute yes
+
+fix 		1 all precession/spin cubic 0.001 0.0005 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0
+fix_modify 	1 energy yes
+fix 		2 all langevin/spin 0.0 0.0 21
+
+fix 		3 all nve/spin lattice moving
+timestep	0.0001
+
+# compute and output options
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magx      equal c_out_mag[1]
+variable 	magy      equal c_out_mag[2]
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo_style    custom step time v_magx v_magy v_magz v_magnorm v_tmag v_emag pe etotal
+thermo          50
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 100 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+run 		100
+PPPMDipoleSpin initialization ...
+  G vector (1/distance) = 0.329367
+  grid = 20 20 20
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.00175808
+  estimated relative force accuracy = 0.000122092
+  using double precision FFTs
+  3d grid and FFT values/proc = 5625 2000
+Neighbor list info ...
+  update every 10 steps, delay 20 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 8.1
+  ghost atom cutoff = 8.1
+  binsize = 4.05, bins = 9 9 9
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair eam/alloy, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (3) pair spin/dipole/long, perpetual, copy from (2)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 10.42 | 10.42 | 10.42 Mbytes
+Step Time v_magx v_magy v_magz v_magnorm v_tmag v_emag PotEng TotEng 
+       0            0           -1            0            0            1 2.3173191e-37   -767.89759    -15559.59   -15514.929 
+      50        0.005           -1 3.6593054e-09 -1.9379563e-09            1 4.9747018e-10   -767.88014   -15557.972   -15514.929 
+     100         0.01           -1 7.3731919e-09 -3.8151563e-09            1 1.9544299e-09    -767.8301   -15553.402   -15514.929 
+Loop time of 4.4084 on 4 procs for 100 steps with 3456 atoms
+
+Performance: 0.196 ns/day, 122.455 hours/ns, 22.684 timesteps/s
+100.0% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.2326     | 1.2513     | 1.2693     |   1.3 | 28.38
+Kspace  | 0.22823    | 0.24585    | 0.26385    |   2.8 |  5.58
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.025352   | 0.028409   | 0.032299   |   1.6 |  0.64
+Output  | 0.001868   | 0.0018761  | 0.0018861  |   0.0 |  0.04
+Modify  | 2.8753     | 2.8788     | 2.8818     |   0.1 | 65.30
+Other   |            | 0.002175   |            |       |  0.05
+
+Nlocal:    864 ave 864 max 864 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Nghost:    3785 ave 3785 max 3785 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Neighs:    72576 ave 72576 max 72576 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  145152 ave 145152 max 145152 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 580608
+Ave neighs/atom = 168
+Neighbor list builds = 0
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:04
diff --git a/examples/SPIN/iron/in.spin.iron b/examples/SPIN/iron/in.spin.iron
index 3468575493..d60e6b86f5 100644
--- a/examples/SPIN/iron/in.spin.iron
+++ b/examples/SPIN/iron/in.spin.iron
@@ -19,8 +19,8 @@ create_atoms 	1 box
 
 mass		1 55.845
 
-#set 		group all spin/random 31 2.2
-set 		group all spin 2.2 0.0 0.0 1.0
+set 		group all spin/random 31 2.2
+# set 		group all spin 2.2 0.0 0.0 1.0
 velocity 	all create 100 4928459 rot yes dist gaussian
 
 pair_style 	hybrid/overlay eam/alloy spin/exchange 3.5
@@ -48,10 +48,10 @@ variable 	magnorm   equal c_out_mag[4]
 variable 	emag      equal c_out_mag[5]
 variable 	tmag      equal c_out_mag[6]
 
-thermo_style    custom step time v_magnorm v_tmag temp v_emag ke pe etotal
+thermo_style    custom step time v_magnorm v_tmag temp v_emag ke pe press etotal
 thermo          50
 
 compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 		100 all custom 1 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+dump 		1 all custom 100 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
 
-run 		50000
+run 		1000
diff --git a/examples/SPIN/iron/in.spin.iron_cubic b/examples/SPIN/iron/in.spin.iron_cubic
index 859d9df0fa..30a3e0e97c 100644
--- a/examples/SPIN/iron/in.spin.iron_cubic
+++ b/examples/SPIN/iron/in.spin.iron_cubic
@@ -52,9 +52,9 @@ thermo_style    custom step time v_magx v_magy v_magz v_magnorm v_tmag v_emag pe
 thermo          50
 
 compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 		100 all custom 1 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+dump 		1 all custom 100 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
 
-run 		2000
+run 		1000
 # min_style 	spin
 # min_modify	alpha_damp 1.0 discrete_factor 10
 # minimize 	1.0e-16 1.0e-16 10000 10000
diff --git a/examples/SPIN/iron/log.19Nov19.spin.iron.g++.1 b/examples/SPIN/iron/log.19Nov19.spin.iron.g++.1
new file mode 100644
index 0000000000..cbc749a1f7
--- /dev/null
+++ b/examples/SPIN/iron/log.19Nov19.spin.iron.g++.1
@@ -0,0 +1,136 @@
+LAMMPS (30 Oct 2019)
+# bcc iron in a 3d periodic box
+
+clear
+units 		metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	bcc 2.8665
+Lattice spacing in x,y,z = 2.8665 2.8665 2.8665
+region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (14.3325 14.3325 14.3325)
+  1 by 1 by 1 MPI processor grid
+create_atoms 	1 box
+Created 250 atoms
+  create_atoms CPU = 0.000422955 secs
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 55.845
+
+set 		group all spin/random 31 2.2
+  250 settings made for spin/random
+# set 		group all spin 2.2 0.0 0.0 1.0
+velocity 	all create 100 4928459 rot yes dist gaussian
+
+pair_style 	hybrid/overlay eam/alloy spin/exchange 3.5
+pair_coeff 	* * eam/alloy Fe_Mishin2006.eam.alloy Fe
+pair_coeff 	* * spin/exchange exchange 3.4 0.02726 0.2171 1.841
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0
+fix 		2 all langevin/spin 0.0 0.0 21
+
+fix 		3 all nve/spin lattice moving
+timestep	0.0001
+
+# compute and output options
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo_style    custom step time v_magnorm v_tmag temp v_emag ke pe press etotal
+thermo          50
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 100 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+run 		1000
+Neighbor list info ...
+  update every 10 steps, delay 20 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.77337
+  ghost atom cutoff = 5.77337
+  binsize = 2.88668, bins = 5 5 5
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair eam/alloy, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 7.82 | 7.82 | 7.82 Mbytes
+Step Time v_magnorm v_tmag Temp v_emag KinEng PotEng Press TotEng 
+       0            0  0.076456975    4554.5462    100.00358  -0.85791269    3.2186929    -1070.429    394.43342   -1067.2103 
+      50        0.005  0.076456974     4658.383    96.663685  -0.86504718    3.1111957   -1070.3179    709.50826   -1067.2067 
+     100         0.01  0.076456983    4744.1872    86.965803  -0.88035771    2.7990619   -1069.9981    1466.6938   -1067.1991 
+     150        0.015  0.076456973    4794.5283    72.421197   -0.8996913    2.3309324   -1069.5203    2534.3867   -1067.1894 
+     200         0.02  0.076456944    4707.6548    55.633188    -0.921682    1.7905973    -1068.969     3732.183   -1067.1784 
+     250        0.025  0.076456953    4439.4697    39.802206  -0.94649004    1.2810649    -1068.447    4831.5559    -1067.166 
+     300         0.03  0.076457027    4101.6694    27.882295  -0.97253854    0.8974133   -1068.0504    5612.0928    -1067.153 
+     350        0.035  0.076457103    3860.1545    21.776538  -0.99708692   0.70089477   -1067.8416    5906.3057   -1067.1407 
+     400         0.04  0.076457117    3765.5341    21.857102   -1.0190244   0.70348778   -1067.8332    5682.0053   -1067.1297 
+     450        0.045  0.076457072    3739.9037    26.959407   -1.0389343   0.86770942   -1067.9875    5066.5077   -1067.1198 
+     500         0.05  0.076457001    3730.8342     34.92521   -1.0582008     1.124095   -1068.2342    4279.2424   -1067.1101 
+     550        0.055  0.076456962    3698.0556    43.405912   -1.0785156     1.397053    -1068.497    3533.4153      -1067.1 
+     600         0.06  0.076456997     3560.947    50.544844    -1.102048     1.626825    -1068.715    2975.8479   -1067.0882 
+     650        0.065  0.076457079    3341.7402    55.261218   -1.1296588    1.7786252    -1068.853    2683.3023   -1067.0744 
+     700         0.07  0.076457136    3156.8448     57.25083   -1.1595102    1.8426624   -1068.9021    2640.5967   -1067.0595 
+     750        0.075  0.076457132    3099.5181    56.934336   -1.1893875    1.8324758    -1068.877    2778.3261   -1067.0445 
+     800         0.08  0.076457116    3132.9985    55.266343   -1.2181223    1.7787901    -1068.809    3020.1175   -1067.0302 
+     850        0.085  0.076457116    3163.2943    53.376453   -1.2443326    1.7179626    -1068.735    3287.9042   -1067.0171 
+     900         0.09  0.076457121     3168.063    52.279557   -1.2676425    1.6826581   -1068.6881    3504.7334   -1067.0054 
+     950        0.095  0.076457122    3144.2102    52.667743   -1.2902335    1.6951522   -1068.6893    3622.1382   -1066.9941 
+    1000          0.1  0.076457135    3061.0811    54.684094    -1.314147      1.76005   -1068.7422    3625.2935   -1066.9822 
+Loop time of 1.6779 on 1 procs for 1000 steps with 250 atoms
+
+Performance: 5.149 ns/day, 4.661 hours/ns, 595.982 timesteps/s
+100.0% CPU use with 1 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.78285    | 0.78285    | 0.78285    |   0.0 | 46.66
+Neigh   | 0.004487   | 0.004487   | 0.004487   |   0.0 |  0.27
+Comm    | 0.022926   | 0.022926   | 0.022926   |   0.0 |  1.37
+Output  | 0.003927   | 0.003927   | 0.003927   |   0.0 |  0.23
+Modify  | 0.86033    | 0.86033    | 0.86033    |   0.0 | 51.27
+Other   |            | 0.003381   |            |       |  0.20
+
+Nlocal:    250 ave 250 max 250 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1399 ave 1399 max 1399 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    7855 ave 7855 max 7855 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  15710 ave 15710 max 15710 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 15710
+Ave neighs/atom = 62.84
+Neighbor list builds = 6
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:01
diff --git a/examples/SPIN/iron/log.19Nov19.spin.iron.g++.4 b/examples/SPIN/iron/log.19Nov19.spin.iron.g++.4
new file mode 100644
index 0000000000..a5cc9d7f0b
--- /dev/null
+++ b/examples/SPIN/iron/log.19Nov19.spin.iron.g++.4
@@ -0,0 +1,136 @@
+LAMMPS (30 Oct 2019)
+# bcc iron in a 3d periodic box
+
+clear
+units 		metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	bcc 2.8665
+Lattice spacing in x,y,z = 2.8665 2.8665 2.8665
+region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (14.3325 14.3325 14.3325)
+  1 by 2 by 2 MPI processor grid
+create_atoms 	1 box
+Created 250 atoms
+  create_atoms CPU = 0.000705957 secs
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 55.845
+
+set 		group all spin/random 31 2.2
+  250 settings made for spin/random
+# set 		group all spin 2.2 0.0 0.0 1.0
+velocity 	all create 100 4928459 rot yes dist gaussian
+
+pair_style 	hybrid/overlay eam/alloy spin/exchange 3.5
+pair_coeff 	* * eam/alloy Fe_Mishin2006.eam.alloy Fe
+pair_coeff 	* * spin/exchange exchange 3.4 0.02726 0.2171 1.841
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0
+fix 		2 all langevin/spin 0.0 0.0 21
+
+fix 		3 all nve/spin lattice moving
+timestep	0.0001
+
+# compute and output options
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo_style    custom step time v_magnorm v_tmag temp v_emag ke pe press etotal
+thermo          50
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 100 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+run 		1000
+Neighbor list info ...
+  update every 10 steps, delay 20 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.77337
+  ghost atom cutoff = 5.77337
+  binsize = 2.88668, bins = 5 5 5
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair eam/alloy, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 7.766 | 7.766 | 7.766 Mbytes
+Step Time v_magnorm v_tmag Temp v_emag KinEng PotEng Press TotEng 
+       0            0  0.076456975    4554.5462    100.00358  -0.85791269    3.2186929   -1070.8579    394.43342   -1067.6392 
+      50        0.005  0.076456995    4701.2004    96.298333  -0.85659448    3.0994366   -1070.7387    714.37866   -1067.6392 
+     100         0.01  0.076457028    4794.5923    86.330828  -0.87003341    2.7786247   -1070.4179    1484.2951   -1067.6392 
+     150        0.015  0.076457074    4836.9634    71.603402  -0.89006992    2.3046111   -1069.9438    2551.9258   -1067.6392 
+     200         0.02  0.076457106    4754.5574    54.648817  -0.91124541    1.7589146   -1069.3981    3731.1494   -1067.6392 
+     250        0.025  0.076457128     4502.135    38.599515  -0.93187522    1.2423553   -1068.8816     4804.619   -1067.6392 
+     300         0.03  0.076457157    4176.7186    26.383018  -0.95082226    0.8491579   -1068.4884    5563.3287   -1067.6392 
+     350        0.035  0.076457207    3955.5658     20.01039  -0.96826468   0.64404992   -1068.2833    5839.6479   -1067.6392 
+     400         0.04  0.076457243    3887.9746    20.097682  -0.98706373   0.64685949   -1068.2861    5601.1255   -1067.6392 
+     450        0.045  0.076457231    3868.5613    25.687511   -1.0095684   0.82677249    -1068.466    4974.0031   -1067.6392 
+     500         0.05  0.076457204    3838.4905    34.604697   -1.0349855     1.113779    -1068.753    4157.1837   -1067.6392 
+     550        0.055  0.076457196    3775.1404    44.251809   -1.0609123    1.4242788   -1069.0635       3357.1   -1067.6392 
+     600         0.06  0.076457188    3604.8828    52.475202   -1.0880854    1.6889551   -1069.3282    2752.0424   -1067.6392 
+     650        0.065   0.07645718    3345.5894    57.926479   -1.1179657    1.8644087   -1069.5036    2467.7403   -1067.6392 
+     700         0.07  0.076457185    3138.2001    60.030548   -1.1469999    1.9321298   -1069.5714    2510.1752   -1067.6392 
+     750        0.075   0.07645719    3074.9626    59.122504   -1.1721939    1.9029037   -1069.5421    2788.7489   -1067.6392 
+     800         0.08  0.076457195    3103.5294    56.349146   -1.1949365     1.813641   -1069.4529    3192.5158   -1067.6392 
+     850        0.085  0.076457199    3164.2317    53.154464   -1.2164642    1.7108177     -1069.35     3602.931   -1067.6392 
+     900         0.09  0.076457199    3228.1358    50.837416   -1.2366018    1.6362417   -1069.2755    3917.0758   -1067.6392 
+     950        0.095  0.076457222    3247.5532    50.234549   -1.2539657    1.6168379   -1069.2561    4059.9275   -1067.6392 
+    1000          0.1  0.076457266    3208.3875    51.592727   -1.2671834    1.6605519   -1069.2998    4001.4995   -1067.6392 
+Loop time of 1.47769 on 4 procs for 1000 steps with 250 atoms
+
+Performance: 5.847 ns/day, 4.105 hours/ns, 676.731 timesteps/s
+100.0% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.21791    | 0.22724    | 0.23568    |   1.4 | 15.38
+Neigh   | 0.001137   | 0.0011771  | 0.0012221  |   0.1 |  0.08
+Comm    | 0.066727   | 0.074288   | 0.083826   |   2.3 |  5.03
+Output  | 0.0017431  | 0.0017657  | 0.0018256  |   0.1 |  0.12
+Modify  | 1.1707     | 1.1718     | 1.1725     |   0.1 | 79.30
+Other   |            | 0.001427   |            |       |  0.10
+
+Nlocal:    62.5 ave 66 max 60 min
+Histogram: 1 0 0 2 0 0 0 0 0 1
+Nghost:    844 ave 857 max 829 min
+Histogram: 1 0 0 1 0 0 0 0 1 1
+Neighs:    1962.5 ave 2096 max 1855 min
+Histogram: 1 0 1 0 0 1 0 0 0 1
+FullNghs:  3925 ave 4139 max 3766 min
+Histogram: 1 0 0 2 0 0 0 0 0 1
+
+Total # of neighbors = 15700
+Ave neighs/atom = 62.8
+Neighbor list builds = 6
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:01
diff --git a/examples/SPIN/iron/log.19Nov19.spin.iron_cubic.g++.1 b/examples/SPIN/iron/log.19Nov19.spin.iron_cubic.g++.1
new file mode 100644
index 0000000000..22957c8498
--- /dev/null
+++ b/examples/SPIN/iron/log.19Nov19.spin.iron_cubic.g++.1
@@ -0,0 +1,139 @@
+LAMMPS (30 Oct 2019)
+# bcc iron in a 3d periodic box
+
+clear
+units 		metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	bcc 2.8665
+Lattice spacing in x,y,z = 2.8665 2.8665 2.8665
+region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (14.3325 14.3325 14.3325)
+  1 by 1 by 1 MPI processor grid
+create_atoms 	1 box
+Created 250 atoms
+  create_atoms CPU = 0.00101709 secs
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 55.845
+set 		group all spin 2.2 -1.0 0.0 0.0
+  250 settings made for spin
+velocity 	all create 100 4928459 rot yes dist gaussian
+
+pair_style 	hybrid/overlay eam/alloy spin/exchange 3.5
+pair_coeff 	* * eam/alloy Fe_Mishin2006.eam.alloy Fe
+pair_coeff 	* * spin/exchange exchange 3.4 0.02726 0.2171 1.841
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin cubic 0.001 0.0005 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0
+fix_modify 	1 energy yes
+fix 		2 all langevin/spin 0.0 0.0 21
+
+fix 		3 all nve/spin lattice moving
+timestep	0.0001
+
+# compute and output options
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magx      equal c_out_mag[1]
+variable 	magy      equal c_out_mag[2]
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo_style    custom step time v_magx v_magy v_magz v_magnorm v_tmag v_emag pe etotal
+thermo          50
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 100 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+run 		1000
+Neighbor list info ...
+  update every 10 steps, delay 20 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.77337
+  ghost atom cutoff = 5.77337
+  binsize = 2.88668, bins = 5 5 5
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair eam/alloy, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 7.82 | 7.82 | 7.82 Mbytes
+Step Time v_magx v_magy v_magz v_magnorm v_tmag v_emag PotEng TotEng 
+       0            0           -1            0            0            1            0    -55.58269   -1097.7914   -1094.5727 
+      50        0.005           -1            0            0            1            0   -55.581417   -1097.6764   -1094.5733 
+     100         0.01           -1            0            0            1            0   -55.577759     -1097.35   -1094.5751 
+     150        0.015           -1            0            0            1            0    -55.57219   -1096.8677   -1094.5779 
+     200         0.02           -1            0            0            1            0   -55.565438   -1096.3163   -1094.5813 
+     250        0.025           -1            0            0            1            0   -55.558379   -1095.7987   -1094.5848 
+     300         0.03           -1            0            0            1            0   -55.551886   -1095.4103   -1094.5881 
+     350        0.035           -1            0            0            1            0   -55.546675   -1095.2124   -1094.5907 
+     400         0.04           -1            0            0            1            0   -55.543187   -1095.2153   -1094.5924 
+     450        0.045           -1            0            0            1            0    -55.54154    -1095.379   -1094.5932 
+     500         0.05           -1            0            0            1            0   -55.541574    -1095.633   -1094.5932 
+     550        0.055           -1            0            0            1            0   -55.542941   -1095.9006   -1094.5925 
+     600         0.06           -1            0            0            1            0   -55.545209   -1096.1205   -1094.5914 
+     650        0.065           -1            0            0            1            0   -55.547951   -1096.2575     -1094.59 
+     700         0.07           -1            0            0            1            0   -55.550801   -1096.3044   -1094.5886 
+     750        0.075           -1            0            0            1            0   -55.553483   -1096.2778   -1094.5873 
+     800         0.08           -1            0            0            1            0   -55.555816   -1096.2098   -1094.5861 
+     850        0.085           -1            0            0            1            0   -55.557706   -1096.1372   -1094.5852 
+     900         0.09           -1            0            0            1            0    -55.55913   -1096.0919   -1094.5844 
+     950        0.095           -1            0            0            1            0   -55.560111   -1096.0925    -1094.584 
+    1000          0.1           -1            0            0            1            0   -55.560705   -1096.1411   -1094.5837 
+Loop time of 1.74825 on 1 procs for 1000 steps with 250 atoms
+
+Performance: 4.942 ns/day, 4.856 hours/ns, 571.999 timesteps/s
+100.0% CPU use with 1 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.80384    | 0.80384    | 0.80384    |   0.0 | 45.98
+Neigh   | 0.004528   | 0.004528   | 0.004528   |   0.0 |  0.26
+Comm    | 0.022954   | 0.022954   | 0.022954   |   0.0 |  1.31
+Output  | 0.0034568  | 0.0034568  | 0.0034568  |   0.0 |  0.20
+Modify  | 0.91007    | 0.91007    | 0.91007    |   0.0 | 52.06
+Other   |            | 0.003404   |            |       |  0.19
+
+Nlocal:    250 ave 250 max 250 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1415 ave 1415 max 1415 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    7873 ave 7873 max 7873 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  15746 ave 15746 max 15746 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 15746
+Ave neighs/atom = 62.984
+Neighbor list builds = 6
+Dangerous builds = 0
+# min_style 	spin
+# min_modify	alpha_damp 1.0 discrete_factor 10
+# minimize 	1.0e-16 1.0e-16 10000 10000
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:01
diff --git a/examples/SPIN/iron/log.30Apr19.spin.iron_cubic.g++.4 b/examples/SPIN/iron/log.19Nov19.spin.iron_cubic.g++.4
similarity index 58%
rename from examples/SPIN/iron/log.30Apr19.spin.iron_cubic.g++.4
rename to examples/SPIN/iron/log.19Nov19.spin.iron_cubic.g++.4
index 677805d26a..60db1064e0 100644
--- a/examples/SPIN/iron/log.30Apr19.spin.iron_cubic.g++.4
+++ b/examples/SPIN/iron/log.19Nov19.spin.iron_cubic.g++.4
@@ -1,9 +1,7 @@
-LAMMPS (30 Apr 2019)
-  using 1 OpenMP thread(s) per MPI task
+LAMMPS (30 Oct 2019)
 # bcc iron in a 3d periodic box
 
 clear
-  using 1 OpenMP thread(s) per MPI task
 units 		metal
 atom_style 	spin
 
@@ -21,7 +19,7 @@ Created orthogonal box = (0 0 0) to (14.3325 14.3325 14.3325)
   1 by 2 by 2 MPI processor grid
 create_atoms 	1 box
 Created 250 atoms
-  create_atoms CPU = 0.000627756 secs
+  create_atoms CPU = 0.000651121 secs
 
 # setting mass, mag. moments, and interactions for bcc iron
 
@@ -40,7 +38,7 @@ fix 		1 all precession/spin cubic 0.001 0.0005 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1
 fix_modify 	1 energy yes
 fix 		2 all langevin/spin 0.0 0.0 21
 
-fix 		3 all nve/spin lattice yes
+fix 		3 all nve/spin lattice moving
 timestep	0.0001
 
 # compute and output options
@@ -61,9 +59,9 @@ thermo_style    custom step time v_magx v_magy v_magz v_magnorm v_tmag v_emag pe
 thermo          50
 
 compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 		100 all custom 1 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+dump 		1 all custom 100 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
 
-run 		2000
+run 		1000
 Neighbor list info ...
   update every 10 steps, delay 20 steps, check yes
   max neighbors/atom: 2000, page size: 100000
@@ -81,7 +79,7 @@ Neighbor list info ...
       pair build: full/bin/atomonly
       stencil: full/bin/3d
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 7.265 | 7.265 | 7.265 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 7.766 | 7.766 | 7.766 Mbytes
 Step Time v_magx v_magy v_magz v_magnorm v_tmag v_emag PotEng TotEng 
        0            0           -1            0            0            1            0    -55.58269   -1125.5827    -1122.364 
       50        0.005           -1            0            0            1            0   -55.581457   -1125.4635    -1122.364 
@@ -104,53 +102,33 @@ Step Time v_magx v_magy v_magz v_magnorm v_tmag v_emag PotEng TotEng
      900         0.09           -1            0            0            1            0   -55.560147   -1123.8404    -1122.364 
      950        0.095           -1            0            0            1            0   -55.560992   -1123.8312    -1122.364 
     1000          0.1           -1            0            0            1            0   -55.561635   -1123.8853    -1122.364 
-    1050        0.105           -1            0            0            1            0   -55.562156   -1123.9898    -1122.364 
-    1100         0.11           -1            0            0            1            0   -55.562594   -1124.1174    -1122.364 
-    1150        0.115           -1            0            0            1            0   -55.562944   -1124.2349    -1122.364 
-    1200         0.12           -1            0            0            1            0   -55.563163   -1124.3115    -1122.364 
-    1250        0.125           -1            0            0            1            0   -55.563193   -1124.3273    -1122.364 
-    1300         0.13           -1            0            0            1            0   -55.562982   -1124.2776    -1122.364 
-    1350        0.135           -1            0            0            1            0   -55.562513   -1124.1744    -1122.364 
-    1400         0.14           -1            0            0            1            0   -55.561812   -1124.0433    -1122.364 
-    1450        0.145           -1            0            0            1            0   -55.560956   -1123.9169    -1122.364 
-    1500         0.15           -1            0            0            1            0   -55.560057   -1123.8268    -1122.364 
-    1550        0.155           -1            0            0            1            0   -55.559235   -1123.7951    -1122.364 
-    1600         0.16           -1            0            0            1            0    -55.55859   -1123.8282    -1122.364 
-    1650        0.165           -1            0            0            1            0   -55.558174   -1123.9155    -1122.364 
-    1700         0.17           -1            0            0            1            0   -55.557974   -1124.0311    -1122.364 
-    1750        0.175           -1            0            0            1            0   -55.557913   -1124.1409    -1122.364 
-    1800         0.18           -1            0            0            1            0    -55.55788    -1124.212    -1122.364 
-    1850        0.185           -1            0            0            1            0   -55.557753   -1124.2208    -1122.364 
-    1900         0.19           -1            0            0            1            0   -55.557448   -1124.1596    -1122.364 
-    1950        0.195           -1            0            0            1            0   -55.556942   -1124.0384    -1122.364 
-    2000          0.2           -1            0            0            1            0   -55.556288    -1123.883    -1122.364 
-Loop time of 4.39485 on 4 procs for 2000 steps with 250 atoms
+Loop time of 1.5074 on 4 procs for 1000 steps with 250 atoms
 
-Performance: 3.932 ns/day, 6.104 hours/ns, 455.078 timesteps/s
-98.3% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 5.732 ns/day, 4.187 hours/ns, 663.393 timesteps/s
+99.9% CPU use with 4 MPI tasks x no OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.64527    | 0.6695     | 0.71114    |   3.3 | 15.23
-Neigh   | 0.0032711  | 0.0034365  | 0.0036387  |   0.3 |  0.08
-Comm    | 0.14872    | 0.19108    | 0.21485    |   6.1 |  4.35
-Output  | 0.40622    | 0.43119    | 0.45149    |   2.5 |  9.81
-Modify  | 3.0688     | 3.0921     | 3.1179     |   1.0 | 70.36
-Other   |            | 0.007548   |            |       |  0.17
+Pair    | 0.22156    | 0.23223    | 0.24219    |   1.5 | 15.41
+Neigh   | 0.0011292  | 0.0011852  | 0.0012362  |   0.1 |  0.08
+Comm    | 0.067507   | 0.076341   | 0.087237   |   2.6 |  5.06
+Output  | 0.0015073  | 0.0015442  | 0.0015914  |   0.1 |  0.10
+Modify  | 1.1934     | 1.1947     | 1.1955     |   0.1 | 79.25
+Other   |            | 0.001434   |            |       |  0.10
 
-Nlocal:    62.5 ave 67 max 57 min
-Histogram: 1 0 0 0 0 1 0 1 0 1
-Nghost:    850.5 ave 856 max 847 min
-Histogram: 1 0 1 1 0 0 0 0 0 1
-Neighs:    1968.75 ave 2101 max 1792 min
-Histogram: 1 0 0 0 0 1 0 1 0 1
-FullNghs:  3937.5 ave 4217 max 3583 min
-Histogram: 1 0 0 0 0 1 0 1 0 1
+Nlocal:    62.5 ave 66 max 60 min
+Histogram: 1 1 0 0 0 1 0 0 0 1
+Nghost:    848.25 ave 861 max 834 min
+Histogram: 1 0 0 0 1 0 1 0 0 1
+Neighs:    1962.75 ave 2087 max 1870 min
+Histogram: 1 1 0 0 0 0 1 0 0 1
+FullNghs:  3925.5 ave 4138 max 3776 min
+Histogram: 1 1 0 0 0 1 0 0 0 1
 
-Total # of neighbors = 15750
-Ave neighs/atom = 63
-Neighbor list builds = 12
+Total # of neighbors = 15702
+Ave neighs/atom = 62.808
+Neighbor list builds = 6
 Dangerous builds = 0
 # min_style 	spin
 # min_modify	alpha_damp 1.0 discrete_factor 10
@@ -158,4 +136,4 @@ Dangerous builds = 0
 
 Please see the log.cite file for references relevant to this simulation
 
-Total wall time: 0:00:04
+Total wall time: 0:00:01
diff --git a/examples/SPIN/iron/log.30Apr19.spin.iron.g++.1 b/examples/SPIN/iron/log.30Apr19.spin.iron.g++.1
deleted file mode 100644
index f02c43e28c..0000000000
--- a/examples/SPIN/iron/log.30Apr19.spin.iron.g++.1
+++ /dev/null
@@ -1,1117 +0,0 @@
-LAMMPS (30 Apr 2019)
-  using 1 OpenMP thread(s) per MPI task
-# bcc iron in a 3d periodic box
-
-clear
-  using 1 OpenMP thread(s) per MPI task
-units 		metal
-atom_style 	spin
-
-dimension 	3
-boundary 	p p p
-
-# necessary for the serial algorithm (sametag)
-atom_modify 	map array
-
-lattice 	bcc 2.8665
-Lattice spacing in x,y,z = 2.8665 2.8665 2.8665
-region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
-create_box 	1 box
-Created orthogonal box = (0 0 0) to (14.3325 14.3325 14.3325)
-  1 by 1 by 1 MPI processor grid
-create_atoms 	1 box
-Created 250 atoms
-  create_atoms CPU = 0.00074935 secs
-
-# setting mass, mag. moments, and interactions for bcc iron
-
-mass		1 55.845
-
-set 		group all spin/random 31 2.2
-  250 settings made for spin/random
-velocity 	all create 100 4928459 rot yes dist gaussian
-
-pair_style 	hybrid/overlay eam/alloy spin/exchange 3.5
-pair_coeff 	* * eam/alloy Fe_Mishin2006.eam.alloy Fe
-pair_coeff 	* * spin/exchange exchange 3.4 0.02726 0.2171 1.841
-
-neighbor 	0.1 bin
-neigh_modify 	every 10 check yes delay 20
-
-fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0
-fix 		2 all langevin/spin 0.0 0.0 21
-
-fix 		3 all nve/spin lattice yes
-timestep	0.0001
-
-# compute and output options
-
-compute 	out_mag    all spin
-compute 	out_pe     all pe
-compute 	out_ke     all ke
-compute 	out_temp   all temp
-
-variable 	magz      equal c_out_mag[3]
-variable 	magnorm   equal c_out_mag[4]
-variable 	emag      equal c_out_mag[5]
-variable 	tmag      equal c_out_mag[6]
-
-thermo_style    custom step time v_magnorm v_tmag temp v_emag ke pe etotal
-thermo          50
-
-compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 		100 all custom 1 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
-
-run 		50000
-Neighbor list info ...
-  update every 10 steps, delay 20 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 5.77337
-  ghost atom cutoff = 5.77337
-  binsize = 2.88668, bins = 5 5 5
-  2 neighbor lists, perpetual/occasional/extra = 2 0 0
-  (1) pair eam/alloy, perpetual, half/full from (2)
-      attributes: half, newton on
-      pair build: halffull/newton
-      stencil: none
-      bin: none
-  (2) pair spin/exchange, perpetual
-      attributes: full, newton on
-      pair build: full/bin/atomonly
-      stencil: full/bin/3d
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 7.319 | 7.319 | 7.319 Mbytes
-Step Time v_magnorm v_tmag Temp v_emag KinEng PotEng TotEng 
-       0            0  0.076456975    9109.0924    100.00358  -0.85791269    3.2186929   -1070.8579   -1067.6392 
-      50        0.005  0.076456974    9316.7659    96.663685  -0.86504718    3.1111957   -1070.7504   -1067.6392 
-     100         0.01  0.076456983    9488.3743    86.965803  -0.88035771    2.7990619   -1070.4383   -1067.6392 
-     150        0.015  0.076456973    9589.0566    72.421197   -0.8996913    2.3309324   -1069.9702   -1067.6392 
-     200         0.02  0.076456944    9415.3095    55.633188    -0.921682    1.7905973   -1069.4298   -1067.6392 
-     250        0.025  0.076456953    8878.9394    39.802206  -0.94649004    1.2810649   -1068.9203   -1067.6392 
-     300         0.03  0.076457027    8203.3388    27.882295  -0.97253854    0.8974133   -1068.5366   -1067.6392 
-     350        0.035  0.076457103     7720.309    21.776538  -0.99708692   0.70089477   -1068.3401   -1067.6392 
-     400         0.04  0.076457117    7531.0683    21.857102   -1.0190244   0.70348778   -1068.3427   -1067.6392 
-     450        0.045  0.076457072    7479.8073    26.959407   -1.0389343   0.86770942   -1068.5069   -1067.6392 
-     500         0.05  0.076457001    7461.6683     34.92521   -1.0582008     1.124095   -1068.7633   -1067.6392 
-     550        0.055  0.076456962    7396.1112    43.405912   -1.0785156     1.397053   -1069.0363   -1067.6392 
-     600         0.06  0.076456997     7121.894    50.544844    -1.102048     1.626825   -1069.2661   -1067.6392 
-     650        0.065  0.076457079    6683.4805    55.261218   -1.1296588    1.7786252   -1069.4179   -1067.6392 
-     700         0.07  0.076457136    6313.6896     57.25083   -1.1595102    1.8426624   -1069.4819   -1067.6392 
-     750        0.075  0.076457132    6199.0363    56.934336   -1.1893875    1.8324758   -1069.4717   -1067.6392 
-     800         0.08  0.076457116     6265.997    55.266343   -1.2181223    1.7787901    -1069.418   -1067.6392 
-     850        0.085  0.076457116    6326.5886    53.376453   -1.2443326    1.7179626   -1069.3572   -1067.6392 
-     900         0.09  0.076457121    6336.1261    52.279557   -1.2676425    1.6826581   -1069.3219   -1067.6392 
-     950        0.095  0.076457122    6288.4204    52.667743   -1.2902335    1.6951522   -1069.3344   -1067.6392 
-    1000          0.1  0.076457135    6122.1622    54.684094    -1.314147      1.76005   -1069.3993   -1067.6392 
-    1050        0.105  0.076457155    5830.2219    57.880399   -1.3392396    1.8629256   -1069.5022   -1067.6392 
-    1100         0.11  0.076457162    5477.4214    61.505616   -1.3662331     1.979606   -1069.6188   -1067.6392 
-    1150        0.115  0.076457195    5194.1423    64.810972   -1.3984474    2.0859914   -1069.7252   -1067.6392 
-    1200         0.12  0.076457219    5096.2484    67.147472    -1.438326    2.1611935   -1069.8004   -1067.6392 
-    1250        0.125  0.076457214    5180.7444    67.957533   -1.4822383    2.1872659   -1069.8265   -1067.6392 
-    1300         0.13  0.076457208    5332.4483     66.96652   -1.5226303    2.1553694   -1069.7946   -1067.6392 
-    1350        0.135  0.076457225    5441.1287    64.471602   -1.5553539    2.0750686   -1069.7143   -1067.6392 
-    1400         0.14  0.076457244    5466.8622    61.292592   -1.5804721    1.9727496    -1069.612   -1067.6392 
-    1450        0.145   0.07645724     5403.309    58.518161   -1.6006864    1.8834524   -1069.5227   -1067.6392 
-    1500         0.15  0.076457224    5275.2171      57.1713   -1.6196756    1.8401027   -1069.4793   -1067.6392 
-    1550        0.155  0.076457217    5122.7481    57.878063   -1.6407322    1.8628504   -1069.5021   -1067.6392 
-    1600         0.16  0.076457217    4968.5049    60.639452   -1.6657935    1.9517278    -1069.591   -1067.6392 
-    1650        0.165  0.076457208    4850.1861    64.668839    -1.690847    2.0814168   -1069.7206   -1067.6392 
-    1700         0.17  0.076457217    4809.0194    68.693586   -1.7087416    2.2109564   -1069.8502   -1067.6392 
-    1750        0.175  0.076457274    4835.8611    71.611033   -1.7188587    2.3048567   -1069.9441   -1067.6392 
-    1800         0.18  0.076457318    4929.7428    72.815077   -1.7280248    2.3436098   -1069.9828   -1067.6392 
-    1850        0.185  0.076457279    5036.6365    72.102335   -1.7426092    2.3206696   -1069.9599   -1067.6392 
-    1900         0.19  0.076457222    5116.2436    69.579977   -1.7638235    2.2394856   -1069.8787   -1067.6392 
-    1950        0.195  0.076457228    5207.2334    65.715745   -1.7895824    2.1151122   -1069.7543   -1067.6392 
-    2000          0.2  0.076457288    5216.0413    61.340972   -1.8174915    1.9743068   -1069.6135   -1067.6392 
-    2050        0.205  0.076457267    5023.1601    57.468628   -1.8456914    1.8496724   -1069.4889   -1067.6392 
-    2100         0.21  0.076457198    4748.7818    55.033266   -1.8742291    1.7712884   -1069.4105   -1067.6392 
-    2150        0.215  0.076457199    4558.1302    54.573806   -1.9035225    1.7565003   -1069.3957   -1067.6392 
-    2200         0.22  0.076457185    4483.1644    56.074241   -1.9322669     1.804793    -1069.444   -1067.6392 
-    2250        0.225  0.076457114    4430.1583      59.0552   -1.9577399    1.9007374     -1069.54   -1067.6392 
-    2300         0.23  0.076457092    4353.7973    62.874849   -1.9801275    2.0236758   -1069.6629   -1067.6392 
-    2350        0.235  0.076457145    4303.5275    66.892738   -2.0022129    2.1529947   -1069.7922   -1067.6392 
-    2400         0.24  0.076457171    4258.6889    70.426826   -2.0233072    2.2667421    -1069.906   -1067.6392 
-    2450        0.245  0.076457169    4178.5775    72.910422   -2.0405304    2.3466785   -1069.9859   -1067.6392 
-    2500         0.25   0.07645717     4114.786    74.106367   -2.0531755    2.3851709   -1070.0244   -1067.6392 
-    2550        0.255  0.076457136    4067.5017    74.169349   -2.0634674    2.3871981   -1070.0264   -1067.6392 
-    2600         0.26  0.076457099    4045.3324    73.586199   -2.0755814    2.3684289   -1070.0077   -1067.6392 
-    2650        0.265  0.076457099     4137.898    72.914235   -2.0913646    2.3468012    -1069.986   -1067.6392 
-    2700         0.27  0.076457106     4332.063    72.583192   -2.1091075    2.3361464   -1069.9754   -1067.6392 
-    2750        0.275   0.07645709    4465.1953    72.814559    -2.125099    2.3435931   -1069.9828   -1067.6392 
-    2800         0.28  0.076457051    4516.5192    73.652154   -2.1371914    2.3705517   -1070.0098   -1067.6392 
-    2850        0.285  0.076457019    4555.5962    75.060211   -2.1489378    2.4158711   -1070.0551   -1067.6392 
-    2900         0.29  0.076457069    4544.2734    76.844795   -2.1667679    2.4733094   -1070.1125   -1067.6392 
-    2950        0.295  0.076457172    4460.2109     78.48171   -2.1924421    2.5259948   -1070.1652   -1067.6392 
-    3000          0.3  0.076457219    4323.2746     79.20682   -2.2209955     2.549333   -1070.1886   -1067.6392 
-    3050        0.305  0.076457213     4155.688    78.543529   -2.2505299    2.5279844   -1070.1672   -1067.6392 
-    3100         0.31  0.076457203    3969.6188    76.554785   -2.2858382    2.4639752   -1070.1032   -1067.6392 
-    3150        0.315  0.076457187     3761.432    73.396149   -2.3245055     2.362312   -1070.0015   -1067.6392 
-    3200         0.32  0.076457142    3602.8035    69.313196   -2.3577056     2.230899   -1069.8701   -1067.6392 
-    3250        0.325  0.076457116     3505.707    65.032482   -2.3836874    2.0931209   -1069.7324   -1067.6392 
-    3300         0.33   0.07645716    3424.8795    61.551539   -2.4057167    1.9810841   -1069.6203   -1067.6392 
-    3350        0.335  0.076457236    3335.9672    59.709703   -2.4251844    1.9218031    -1069.561   -1067.6392 
-    3400         0.34  0.076457298    3238.0186    60.026953   -2.4425501    1.9320141   -1069.5712   -1067.6392 
-    3450        0.345  0.076457297    3185.0674    62.613739   -2.4593531    2.0152718   -1069.6545   -1067.6392 
-    3500         0.35   0.07645723    3197.4087    67.011871   -2.4756907    2.1568291   -1069.7961   -1067.6392 
-    3550        0.355  0.076457177    3216.1428    72.316209   -2.4911379    2.3275533   -1069.9668   -1067.6392 
-    3600         0.36  0.076457165    3241.0326    77.550071   -2.5083858    2.4960092   -1070.1352   -1067.6392 
-    3650        0.365  0.076457168    3309.6874    81.877688   -2.5306273    2.6352969   -1070.2745   -1067.6392 
-    3700         0.37   0.07645718     3350.748    84.764646   -2.5595247    2.7282159   -1070.3674   -1067.6392 
-    3750        0.375   0.07645721     3368.085    86.031781   -2.5938559    2.7689996   -1070.4082   -1067.6392 
-    3800         0.38  0.076457208    3425.3173    85.733048   -2.6266899    2.7593847   -1070.3986   -1067.6392 
-    3850        0.385  0.076457165    3420.4429    84.240647   -2.6514805    2.7113506   -1070.3506   -1067.6392 
-    3900         0.39  0.076457146    3323.0403    82.320886   -2.6700966    2.6495616   -1070.2888   -1067.6392 
-    3950        0.395  0.076457179    3273.2625    80.780607   -2.6892405    2.5999865   -1070.2392   -1067.6392 
-    4000          0.4  0.076457229    3313.2671     79.92769    -2.709641    2.5725347   -1070.2118   -1067.6392 
-    4050        0.405  0.076457272    3381.1117    79.663389   -2.7291493     2.564028   -1070.2033   -1067.6392 
-    4100         0.41   0.07645731    3373.3005    79.895158   -2.7514856    2.5714877   -1070.2107   -1067.6392 
-    4150        0.415  0.076457296    3279.6989    80.402828   -2.7788004    2.5878274   -1070.2271   -1067.6392 
-    4200         0.42  0.076457251    3197.0478    80.770336   -2.8064773     2.599656   -1070.2389   -1067.6392 
-    4250        0.425  0.076457243    3160.9065    80.756747   -2.8307967    2.5992186   -1070.2385   -1067.6392 
-    4300         0.43  0.076457282    3173.9599    80.446488    -2.852192    2.5892326   -1070.2285   -1067.6392 
-    4350        0.435  0.076457289    3185.8003    80.110494   -2.8726607    2.5784184   -1070.2177   -1067.6392 
-    4400         0.44  0.076457262    3166.3054    80.045036   -2.8936787    2.5763116   -1070.2155   -1067.6392 
-    4450        0.445  0.076457226    3177.4332    80.500194   -2.9171408    2.5909612   -1070.2302   -1067.6392 
-    4500         0.45  0.076457174    3238.8362    81.573722   -2.9447352    2.6255135   -1070.2647   -1067.6392 
-    4550        0.455   0.07645714    3277.7104    83.104228    -2.975052    2.6747741    -1070.314   -1067.6392 
-    4600         0.46  0.076457157    3224.8571    84.845474   -3.0065552    2.7308174     -1070.37   -1067.6392 
-    4650        0.465  0.076457215    3112.9952    86.608217     -3.03972    2.7875527   -1070.4268   -1067.6392 
-    4700         0.47  0.076457254     3001.141     88.18732    -3.074928    2.8383773   -1070.4776   -1067.6392 
-    4750        0.475  0.076457235    2904.0735    89.204263   -3.1082127    2.8711084   -1070.5103   -1067.6392 
-    4800         0.48  0.076457195    2832.0276     89.24571    -3.134302    2.8724424   -1070.5117   -1067.6392 
-    4850        0.485  0.076457172    2833.7453    88.206351   -3.1541802    2.8389899   -1070.4782   -1067.6392 
-    4900         0.49  0.076457184     2941.993    86.310712   -3.1725372    2.7779773   -1070.4172   -1067.6392 
-    4950        0.495  0.076457228    3082.4825    84.029047   -3.1931038    2.7045401   -1070.3438   -1067.6392 
-    5000          0.5   0.07645727    3155.7096     81.99875   -3.2175967    2.6391934   -1070.2784   -1067.6392 
-    5050        0.505  0.076457297    3162.1875     80.72053   -3.2420202    2.5980529   -1070.2373   -1067.6392 
-    5100         0.51  0.076457279    3133.3889    80.483768   -3.2606472    2.5904325   -1070.2297   -1067.6392 
-    5150        0.515  0.076457223    3144.6361    81.566513   -3.2759117    2.6252815   -1070.2645   -1067.6392 
-    5200         0.52  0.076457166    3156.8183    84.062018   -3.2944729    2.7056013   -1070.3448   -1067.6392 
-    5250        0.525  0.076457128    3059.9886    87.694328   -3.3209415      2.82251   -1070.4617   -1067.6392 
-    5300         0.53  0.076457126    2891.6506    91.782947   -3.3547324    2.9541054   -1070.5933   -1067.6392 
-    5350        0.535  0.076457151    2751.9452    95.417928   -3.3914125    3.0711001   -1070.7103   -1067.6392 
-    5400         0.54   0.07645725    2681.0266    97.845096    -3.427665    3.1492204   -1070.7885   -1067.6392 
-    5450        0.545  0.076457325    2657.0872    98.736021   -3.4632111    3.1778955   -1070.8171   -1067.6392 
-    5500         0.55  0.076457263    2653.1919    98.075728   -3.4957627    3.1566434   -1070.7959   -1067.6392 
-    5550        0.555  0.076457185    2644.2052    96.114965   -3.5208827    3.0935347   -1070.7328   -1067.6392 
-    5600         0.56  0.076457195    2622.4173     93.52581   -3.5389264    3.0102008   -1070.6494   -1067.6392 
-    5650        0.565   0.07645725     2616.385    91.264371   -3.5558734    2.9374146   -1070.5766   -1067.6392 
-    5700         0.57  0.076457256     2608.245    90.135398   -3.5771375    2.9010777   -1070.5403   -1067.6392 
-    5750        0.575  0.076457193    2573.2163    90.456889   -3.6030063    2.9114252   -1070.5507   -1067.6392 
-    5800         0.58  0.076457145    2565.3319    92.099497   -3.6318266    2.9642938   -1070.6035   -1067.6392 
-    5850        0.585  0.076457161    2566.2757    94.625315   -3.6627042    3.0455892   -1070.6848   -1067.6392 
-    5900         0.59  0.076457186    2564.6803    97.321385   -3.6927592    3.1323643   -1070.7716   -1067.6392 
-    5950        0.595  0.076457195    2570.6302    99.384974   -3.7170024    3.1987825    -1070.838   -1067.6392 
-    6000          0.6  0.076457206    2556.8451     100.3814   -3.7363623    3.2308531   -1070.8701   -1067.6392 
-    6050        0.605  0.076457195    2521.7968    100.35236   -3.7587516    3.2299187   -1070.8692   -1067.6392 
-    6100         0.61  0.076457175    2476.1834    99.370379   -3.7869326    3.1983128   -1070.8375   -1067.6392 
-    6150        0.615  0.076457178    2397.2793     97.46598   -3.8168635    3.1370182   -1070.7763   -1067.6392 
-    6200         0.62   0.07645713    2286.8537    94.931722   -3.8450244    3.0554511   -1070.6947   -1067.6392 
-    6250        0.625  0.076457116    2250.5276    92.438472   -3.8722444    2.9752039   -1070.6144   -1067.6392 
-    6300         0.63  0.076457156    2338.5273    90.714367   -3.9006127    2.9197123   -1070.5589   -1067.6392 
-    6350        0.635   0.07645717    2433.0191    90.142302   -3.9291161       2.9013   -1070.5405   -1067.6392 
-    6400         0.64  0.076457159    2467.5427    90.771124   -3.9562695    2.9215391   -1070.5608   -1067.6392 
-    6450        0.645  0.076457107    2475.8649    92.488037   -3.9828137    2.9767993    -1070.616   -1067.6392 
-    6500         0.65    0.0764571    2489.7445    95.127495   -4.0122155    3.0617523    -1070.701   -1067.6392 
-    6550        0.655  0.076457169    2500.4772    98.171784   -4.0419204    3.1597351    -1070.799   -1067.6392 
-    6600         0.66  0.076457208    2530.8002    100.74954   -4.0632043    3.2427022   -1070.8819   -1067.6392 
-    6650        0.665  0.076457205    2539.1451     102.2625   -4.0743218    3.2913979   -1070.9306   -1067.6392 
-    6700         0.67  0.076457193    2456.6604    102.74354   -4.0834224    3.3068807   -1070.9461   -1067.6392 
-    6750        0.675  0.076457138    2387.6116    102.56283   -4.0973681    3.3010644   -1070.9403   -1067.6392 
-    6800         0.68  0.076457109     2401.109    102.04322   -4.1140004    3.2843402   -1070.9236   -1067.6392 
-    6850        0.685  0.076457149     2426.903    101.49411   -4.1282038    3.2666667   -1070.9059   -1067.6392 
-    6900         0.69  0.076457185    2389.4414    101.35418   -4.1401788    3.2621629   -1070.9014   -1067.6392 
-    6950        0.695  0.076457175    2323.8548    101.97407   -4.1517576    3.2821145   -1070.9213   -1067.6392 
-    7000          0.7  0.076457145    2273.8774    103.46341   -4.1630759    3.3300502   -1070.9693   -1067.6392 
-    7050        0.705  0.076457126     2231.652      105.807   -4.1769876    3.4054803   -1071.0447   -1067.6392 
-    7100         0.71  0.076457114    2185.0532    108.81826   -4.1989101    3.5024002   -1071.1416   -1067.6392 
-    7150        0.715  0.076457137    2139.1143    111.85634   -4.2283255    3.6001832   -1071.2394   -1067.6392 
-    7200         0.72  0.076457149    2101.4939    113.84909   -4.2559584    3.6643212   -1071.3036   -1067.6392 
-    7250        0.725   0.07645712    2118.2862    113.94356   -4.2760809    3.6673619   -1071.3066   -1067.6392 
-    7300         0.73  0.076457121    2191.9037    111.95148   -4.2925005    3.6032452   -1071.2425   -1067.6392 
-    7350        0.735  0.076457137    2227.2391     108.2126   -4.3103519    3.4829066   -1071.1221   -1067.6392 
-    7400         0.74  0.076457111     2182.826     103.4321   -4.3300063    3.3290426   -1070.9683   -1067.6392 
-    7450        0.745  0.076457109    2101.7168    98.840049   -4.3541992    3.1812437   -1070.8205   -1067.6392 
-    7500         0.75  0.076457149    2036.3108    95.828239    -4.386682    3.0843062   -1070.7235   -1067.6392 
-    7550        0.755  0.076457161    1994.4837    95.142177   -4.4221587    3.0622248   -1070.7015   -1067.6392 
-    7600         0.76  0.076457127    1970.6785    96.747859   -4.4522387    3.1139049   -1070.7531   -1067.6392 
-    7650        0.765  0.076457086    1993.9417    100.15534   -4.4763203    3.2235774   -1070.8628   -1067.6392 
-    7700         0.77  0.076457048    2073.7836    104.50424   -4.4979798    3.3635502   -1071.0028   -1067.6392 
-    7750        0.775  0.076457026    2168.4033    108.65953   -4.5168753    3.4972912   -1071.1365   -1067.6392 
-    7800         0.78   0.07645702    2217.6427    111.71942   -4.5326251    3.5957762    -1071.235   -1067.6392 
-    7850        0.785  0.076457017    2202.5357    113.33023   -4.5487958    3.6476215   -1071.2869   -1067.6392 
-    7900         0.79  0.076457015     2164.601    113.51362   -4.5690254     3.653524   -1071.2928   -1067.6392 
-    7950        0.795  0.076457037    2131.6906    112.46493   -4.5932729    3.6197711    -1071.259   -1067.6392 
-    8000          0.8  0.076457042    2076.7626    110.60384   -4.6198371    3.5598705   -1071.1991   -1067.6392 
-    8050        0.805   0.07645706    2008.3681    108.69863   -4.6506123    3.4985496   -1071.1378   -1067.6392 
-    8100         0.81  0.076457078    1991.1056    107.59889   -4.6874954    3.4631539   -1071.1024   -1067.6392 
-    8150        0.815  0.076457081     2030.108    107.96066   -4.7301631    3.4747976    -1071.114   -1067.6392 
-    8200         0.82   0.07645709    2053.0781    110.00158   -4.7752612    3.5404861   -1071.1797   -1067.6392 
-    8250        0.825  0.076457092    2080.7633    113.42163   -4.8192627     3.650563   -1071.2898   -1067.6392 
-    8300         0.83  0.076457092    2136.3278      117.426   -4.8602394    3.7794468   -1071.4187   -1067.6392 
-    8350        0.835  0.076457128    2143.1741    120.76905   -4.8928022    3.8870456   -1071.5263   -1067.6392 
-    8400         0.84  0.076457182    2096.2614    122.36127   -4.9132303    3.9382923   -1071.5775   -1067.6392 
-    8450        0.845  0.076457199    2045.0508    121.81432   -4.9242986    3.9206885   -1071.5599   -1067.6392 
-    8500         0.85  0.076457148      1988.55    119.39197   -4.9305717    3.8427231    -1071.482   -1067.6392 
-    8550        0.855  0.076457089    1927.6698    115.82938   -4.9366606    3.7280586   -1071.3673   -1067.6392 
-    8600         0.86    0.0764571    1904.9377    112.15467   -4.9485473    3.6097852    -1071.249   -1067.6392 
-    8650        0.865  0.076457183    1942.1657    109.35829   -4.9712735    3.5197814    -1071.159   -1067.6392 
-    8700         0.87  0.076457275    1995.7079    107.97044   -5.0032067    3.4751123   -1071.1143   -1067.6392 
-    8750        0.875  0.076457274    2021.2979    107.91844   -5.0351272    3.4734386   -1071.1127   -1067.6392 
-    8800         0.88  0.076457159    2019.7716    108.89001   -5.0595657    3.5047095   -1071.1439   -1067.6392 
-    8850        0.885  0.076457056    1997.5026    110.65412   -5.0764543    3.5614886   -1071.2007   -1067.6392 
-    8900         0.89  0.076457086    1958.2352    113.01816   -5.0898539    3.6375771   -1071.2768   -1067.6392 
-    8950        0.895  0.076457184    1948.1688    115.69887   -5.1049282     3.723858   -1071.3631   -1067.6392 
-    9000          0.9  0.076457251    1946.4034     118.2422    -5.125187    3.8057169   -1071.4449   -1067.6392 
-    9050        0.905  0.076457271    1929.5103    120.07623   -5.1485984    3.8647467    -1071.504   -1067.6392 
-    9100         0.91  0.076457223    1920.5823    120.83551   -5.1696144    3.8891848   -1071.5284   -1067.6392 
-    9150        0.915   0.07645719    1947.9739    120.53164   -5.1820234    3.8794043   -1071.5186   -1067.6392 
-    9200         0.92  0.076457191    2021.9322     119.4904   -5.1820769    3.8458913   -1071.4851   -1067.6392 
-    9250        0.925  0.076457189    2120.5676    118.28073   -5.1733083    3.8069571   -1071.4462   -1067.6392 
-    9300         0.93  0.076457202    2218.9759    117.51293   -5.1649043    3.7822448   -1071.4215   -1067.6392 
-    9350        0.935   0.07645722    2256.6996    117.52636    -5.163384    3.7826772   -1071.4219   -1067.6392 
-    9400         0.94  0.076457192    2219.8074    118.22843   -5.1666597    3.8052737   -1071.4445   -1067.6392 
-    9450        0.945  0.076457133    2130.6686    119.30164   -5.1680994    3.8398158    -1071.479   -1067.6392 
-    9500         0.95  0.076457125    2013.4271    120.65247   -5.1678977    3.8832933   -1071.5225   -1067.6392 
-    9550        0.955  0.076457169    1923.3398    122.44923   -5.1747845    3.9411236   -1071.5804   -1067.6392 
-    9600         0.96  0.076457205    1913.1904    124.48108   -5.1900088    4.0065202   -1071.6458   -1067.6392 
-    9650        0.965  0.076457203    1960.3017    126.09586   -5.2054982    4.0584932   -1071.6977   -1067.6392 
-    9700         0.97    0.0764572    1993.4886    126.91655   -5.2204458    4.0849076   -1071.7241   -1067.6392 
-    9750        0.975  0.076457237    2016.3395    126.88895   -5.2391789    4.0840193   -1071.7233   -1067.6392 
-    9800         0.98  0.076457278    2059.2841     125.9798   -5.2613642    4.0547577    -1071.694   -1067.6392 
-    9850        0.985  0.076457268    2076.0892    124.30551   -5.2849423    4.0008692   -1071.6401   -1067.6392 
-    9900         0.99  0.076457232    2054.9566    122.26397   -5.3097299    3.9351607   -1071.5744   -1067.6392 
-    9950        0.995  0.076457211    2050.2277    120.49535   -5.3384666    3.8782362   -1071.5175   -1067.6392 
-   10000            1  0.076457247    2069.6559    119.63397    -5.374562    3.8505122   -1071.4897   -1067.6392 
-   10050        1.005  0.076457306    2079.8366    119.92165   -5.4169176    3.8597712    -1071.499   -1067.6392 
-   10100         1.01  0.076457317    2051.4213     121.0737   -5.4602428     3.896851   -1071.5361   -1067.6392 
-   10150        1.015  0.076457329    2026.2947    122.36851   -5.4975255    3.9385254   -1071.5778   -1067.6392 
-   10200         1.02  0.076457353    2042.1162    122.97997   -5.5239278    3.9582059   -1071.5974   -1067.6392 
-   10250        1.025  0.076457364    2059.2177    122.42397   -5.5402625    3.9403105   -1071.5795   -1067.6392 
-   10300         1.03  0.076457332    2037.1418    120.82131   -5.5531843    3.8887277    -1071.528   -1067.6392 
-   10350        1.035  0.076457305    1953.9125    118.75093   -5.5690263    3.8220908   -1071.4613   -1067.6392 
-   10400         1.04  0.076457265    1845.8999    116.97821   -5.5872522    3.7650343   -1071.4043   -1067.6392 
-   10450        1.045  0.076457218    1789.9704    116.44416   -5.6054265    3.7478455   -1071.3871   -1067.6392 
-   10500         1.05  0.076457227    1790.1722    117.85441   -5.6201726    3.7932355   -1071.4325   -1067.6392 
-   10550        1.055  0.076457265    1792.8951    121.26237   -5.6302348    3.9029234   -1071.5422   -1067.6392 
-   10600         1.06  0.076457285    1801.2253    126.08926   -5.6408443    4.0582808   -1071.6975   -1067.6392 
-   10650        1.065  0.076457276     1848.312    131.30844   -5.6585268    4.2262642   -1071.8655   -1067.6392 
-   10700         1.07  0.076457228     1899.189    135.63605      -5.6833    4.3655515   -1072.0048   -1067.6392 
-   10750        1.075  0.076457196    1933.4466    137.94816   -5.7116789    4.4399687   -1072.0792   -1067.6392 
-   10800         1.08  0.076457209    1952.1407    137.53149   -5.7380474    4.4265577   -1072.0658   -1067.6392 
-   10850        1.085  0.076457232    1956.2467    134.36784   -5.7597709    4.3247333    -1071.964   -1067.6392 
-   10900         1.09  0.076457254    1935.3183    129.23046   -5.7778262    4.1593827   -1071.7986   -1067.6392 
-   10950        1.095   0.07645725    1894.1382    123.56602   -5.7940915    3.9770683   -1071.6163   -1067.6392 
-   11000          1.1  0.076457202    1869.9315    119.13104   -5.8115801    3.8343249   -1071.4736   -1067.6392 
-   11050        1.105  0.076457157    1872.2105     117.1706   -5.8302554    3.7712266   -1071.4105   -1067.6392 
-   11100         1.11  0.076457121    1910.0087    117.93509   -5.8479403    3.7958325   -1071.4351   -1067.6392 
-   11150        1.115  0.076457111    1974.5822     120.8604   -5.8628947    3.8899857   -1071.5292   -1067.6392 
-   11200         1.12  0.076457152    2017.5386    125.16424   -5.8764671    4.0285084   -1071.6677   -1067.6392 
-   11250        1.125  0.076457215    2006.1464    130.14791   -5.8926588    4.1889116   -1071.8281   -1067.6392 
-   11300         1.13  0.076457208    1981.6806    134.97307   -5.9111129     4.344213   -1071.9834   -1067.6392 
-   11350        1.135  0.076457154    1955.8911    138.78712   -5.9293384    4.4669713   -1072.1062   -1067.6392 
-   11400         1.14  0.076457103     1903.025    141.01634   -5.9477992    4.5387205    -1072.178   -1067.6392 
-   11450        1.145  0.076457082    1861.8231    141.41934   -5.9709229    4.5516912   -1072.1909   -1067.6392 
-   11500         1.15  0.076457105       1864.1    139.85754    -5.999873    4.5014233   -1072.1407   -1067.6392 
-   11550        1.155  0.076457135     1864.553    136.29668   -6.0269465    4.3868144    -1072.026   -1067.6392 
-   11600         1.16  0.076457167    1838.5238    131.42789   -6.0482365    4.2301086   -1071.8693   -1067.6392 
-   11650        1.165  0.076457207    1805.0176    126.80497   -6.0718009    4.0813163   -1071.7205   -1067.6392 
-   11700         1.17  0.076457247    1735.2577    124.00212   -6.1059505    3.9911044   -1071.6303   -1067.6392 
-   11750        1.175  0.076457255    1641.4793    123.80317   -6.1481291     3.984701   -1071.6239   -1067.6392 
-   11800         1.18  0.076457236    1596.2043      126.199   -6.1904504    4.0618126    -1071.701   -1067.6392 
-   11850        1.185  0.076457229    1622.0725    130.64719   -6.2272702    4.2049812   -1071.8442   -1067.6392 
-   11900         1.19  0.076457283    1669.7039    136.11282   -6.2551373    4.3808969   -1072.0201   -1067.6392 
-   11950        1.195  0.076457361    1687.4469    141.27818   -6.2753897    4.5471478   -1072.1864   -1067.6392 
-   12000          1.2  0.076457336     1685.355     144.8526    -6.294312    4.6621933   -1072.3014   -1067.6392 
-   12050        1.205  0.076457364    1684.0235    145.75585   -6.3137437     4.691265   -1072.3305   -1067.6392 
-   12100         1.21  0.076457364    1695.7222    143.63233   -6.3312278    4.6229181   -1072.2622   -1067.6392 
-   12150        1.215  0.076457301    1744.0573    139.27223   -6.3471908    4.4825848   -1072.1218   -1067.6392 
-   12200         1.22  0.076457264    1815.5391    134.28007   -6.3640171    4.3219083   -1071.9611   -1067.6392 
-   12250        1.225  0.076457306    1839.4868     130.2409    -6.378914    4.1919044   -1071.8311   -1067.6392 
-   12300         1.23  0.076457381    1791.3388    128.29684   -6.3893167    4.1293333   -1071.7686   -1067.6392 
-   12350        1.235  0.076457382     1713.284    129.07652   -6.4002273     4.154428   -1071.7937   -1067.6392 
-   12400         1.24  0.076457352    1639.3792    132.52697   -6.4176635    4.2654835   -1071.9047   -1067.6392 
-   12450        1.245  0.076457344    1579.8725    137.81757   -6.4424211    4.4357656    -1072.075   -1067.6392 
-   12500         1.25  0.076457303    1557.3644    143.52235   -6.4729454    4.6193783   -1072.2586   -1067.6392 
-   12550        1.255  0.076457277    1618.5087    148.11444   -6.5082137    4.7671782   -1072.4064   -1067.6392 
-   12600         1.26  0.076457326    1720.3013     150.5465   -6.5476118     4.845456   -1072.4847   -1067.6392 
-   12650        1.265  0.076457391    1778.5404    150.56002   -6.5906298    4.8458912   -1072.4851   -1067.6392 
-   12700         1.27  0.076457351    1788.5951    148.56554   -6.6347601    4.7816972   -1072.4209   -1067.6392 
-   12750        1.275  0.076457269    1779.1884    145.24576   -6.6730452    4.6748475   -1072.3141   -1067.6392 
-   12800         1.28   0.07645728    1758.2949    141.40165    -6.701303    4.5511219   -1072.1904   -1067.6392 
-   12850        1.285  0.076457312    1712.5641     137.9123   -6.7240908    4.4388145    -1072.078   -1067.6392 
-   12900         1.29  0.076457327    1668.6646    135.42155   -6.7444763    4.3586478   -1071.9979   -1067.6392 
-   12950        1.295  0.076457332    1653.7008    134.40911   -6.7622343    4.3260615   -1071.9653   -1067.6392 
-   13000          1.3  0.076457334    1678.1215     135.3964   -6.7808215    4.3578383   -1071.9971   -1067.6392 
-   13050        1.305  0.076457316    1709.6866    138.43433   -6.7994699    4.4556163   -1072.0948   -1067.6392 
-   13100         1.31  0.076457256    1719.9198    142.81982   -6.8124215    4.5967668    -1072.236   -1067.6392 
-   13150        1.315  0.076457227    1716.5741    147.42301   -6.8192217     4.744924   -1072.3842   -1067.6392 
-   13200         1.32  0.076457238    1743.2587    150.89049   -6.8222296    4.8565276   -1072.4958   -1067.6392 
-   13250        1.325  0.076457261    1793.7636    151.98662   -6.8200794    4.8918073    -1072.531   -1067.6392 
-   13300         1.33   0.07645729    1825.2569    150.42643   -6.8140605    4.8415915   -1072.4808   -1067.6392 
-   13350        1.335  0.076457252     1838.476    147.28172   -6.8146446    4.7403765   -1072.3796   -1067.6392 
-   13400         1.34  0.076457169    1838.3398    144.11825   -6.8303357    4.6385577   -1072.2778   -1067.6392 
-   13450        1.345  0.076457222    1801.0039    141.93725   -6.8583491    4.5683605   -1072.2076   -1067.6392 
-   13500         1.35  0.076457347     1755.582    140.99498     -6.89022    4.5380327   -1072.1773   -1067.6392 
-   13550        1.355  0.076457427    1733.1918    141.21311   -6.9214427    4.5450535   -1072.1843   -1067.6392 
-   13600         1.36  0.076457431    1712.5682    142.19629   -6.9465697    4.5766981   -1072.2159   -1067.6392 
-   13650        1.365  0.076457399     1717.694     143.5117   -6.9629204    4.6190353   -1072.2583   -1067.6392 
-   13700         1.37  0.076457334    1770.8346    145.13001   -6.9802142     4.671122   -1072.3104   -1067.6392 
-   13750        1.375  0.076457247    1825.1073    146.95312   -7.0064861    4.7298002    -1072.369   -1067.6392 
-   13800         1.38  0.076457256    1824.3539    148.48573   -7.0381068    4.7791285   -1072.4184   -1067.6392 
-   13850        1.385  0.076457313    1782.7326    149.20301   -7.0651441    4.8022147   -1072.4414   -1067.6392 
-   13900         1.39  0.076457295    1750.9167    149.18894   -7.0840385    4.8017618    -1072.441   -1067.6392 
-   13950        1.395  0.076457288    1760.1963    149.12388   -7.1020342    4.7996679   -1072.4389   -1067.6392 
-   14000          1.4  0.076457265    1776.4309    149.46795   -7.1245024    4.8107421     -1072.45   -1067.6392 
-   14050        1.405  0.076457201    1795.0829    150.25585   -7.1514213    4.8361011   -1072.4753   -1067.6392 
-   14100         1.41  0.076457229    1812.6337    151.48841   -7.1831839    4.8757722    -1072.515   -1067.6392 
-   14150        1.415  0.076457297    1801.8728    153.13675   -7.2174201     4.928825   -1072.5681   -1067.6392 
-   14200         1.42  0.076457305    1773.4672    155.06508   -7.2481606    4.9908901   -1072.6301   -1067.6392 
-   14250        1.425  0.076457282    1738.9317    157.04135   -7.2698182    5.0544977   -1072.6937   -1067.6392 
-   14300         1.43  0.076457306    1716.5389    158.77479   -7.2837833    5.1102898   -1072.7495   -1067.6392 
-   14350        1.435   0.07645735    1720.7949     159.7069   -7.2945528    5.1402904   -1072.7795   -1067.6392 
-   14400         1.44  0.076457333    1748.7885    159.02986   -7.3011362    5.1184995   -1072.7577   -1067.6392 
-   14450        1.445  0.076457295    1742.8885    156.42679   -7.3047662    5.0347176    -1072.674   -1067.6392 
-   14500         1.45  0.076457256    1670.5068    152.24569   -7.3102428    4.9001455   -1072.5394   -1067.6392 
-   14550        1.455  0.076457265    1584.5241    147.05373    -7.318176    4.7330384   -1072.3723   -1067.6392 
-   14600         1.46  0.076457287    1529.9826    141.71242   -7.3290619    4.5611241   -1072.2004   -1067.6392 
-   14650        1.465  0.076457308    1510.2873    137.60969   -7.3489824    4.4290747   -1072.0683   -1067.6392 
-   14700         1.47  0.076457333    1517.9737    136.06432   -7.3778607    4.3793359   -1072.0186   -1067.6392 
-   14750        1.475  0.076457349    1536.5785     137.7444   -7.4074887    4.4334105   -1072.0726   -1067.6392 
-   14800         1.48  0.076457332     1570.427    142.60265    -7.435251     4.589777    -1072.229   -1067.6392 
-   14850        1.485  0.076457277    1605.5273    149.55383   -7.4584362     4.813506   -1072.4527   -1067.6392 
-   14900         1.49  0.076457286    1619.5816    156.68247   -7.4687128     5.042947   -1072.6822   -1067.6392 
-   14950        1.495  0.076457352    1628.8798    162.48759   -7.4692532    5.2297891    -1072.869   -1067.6392 
-   15000          1.5  0.076457367    1645.2779    166.28468   -7.4710214    5.3520015   -1072.9912   -1067.6392 
-   15050        1.505  0.076457354    1659.3085    168.01268   -7.4835147    5.4076185   -1073.0469   -1067.6392 
-   15100         1.51  0.076457322    1657.5151     167.8691   -7.5090057    5.4029973   -1073.0422   -1067.6392 
-   15150        1.515  0.076457334    1619.1825    165.90116   -7.5343027    5.3396576   -1072.9789   -1067.6392 
-   15200         1.52  0.076457345     1564.833    162.54809   -7.5475534    5.2317363    -1072.871   -1067.6392 
-   15250        1.525  0.076457333    1526.2301     158.9992   -7.5544031    5.1175126   -1072.7567   -1067.6392 
-   15300         1.53  0.076457299    1516.6129    156.42636   -7.5677145    5.0347037   -1072.6739   -1067.6392 
-   15350        1.535   0.07645727    1514.4631    155.10745   -7.5910984    4.9922537   -1072.6315   -1067.6392 
-   15400         1.54  0.076457295    1489.0219    154.49939   -7.6168589    4.9726826   -1072.6119   -1067.6392 
-   15450        1.545  0.076457307      1454.98    154.09722   -7.6374985    4.9597386    -1072.599   -1067.6392 
-   15500         1.55  0.076457289    1465.2041    153.94567   -7.6532363    4.9548609   -1072.5941   -1067.6392 
-   15550        1.555  0.076457258    1507.1468     154.2404   -7.6663203     4.964347   -1072.6036   -1067.6392 
-   15600         1.56  0.076457196    1529.3808    154.91397   -7.6776911    4.9860264   -1072.6253   -1067.6392 
-   15650        1.565  0.076457177    1523.9817     156.0119    -7.695343     5.021364   -1072.6606   -1067.6392 
-   15700         1.57  0.076457193    1522.7643    157.82491   -7.7296805    5.0797172   -1072.7189   -1067.6392 
-   15750        1.575  0.076457243    1494.5697      160.297   -7.7768073    5.1592832   -1072.7985   -1067.6392 
-   15800         1.58  0.076457287    1432.4424    162.81609   -7.8203339    5.2403621   -1072.8796   -1067.6392 
-   15850        1.585   0.07645733    1402.4977    164.59576   -7.8451116    5.2976423   -1072.9369   -1067.6392 
-   15900         1.59  0.076457402     1416.812    165.26647   -7.8504137    5.3192297   -1072.9585   -1067.6392 
-   15950        1.595  0.076457391    1434.0052    165.00555   -7.8513437    5.3108318   -1072.9501   -1067.6392 
-   16000          1.6   0.07645732     1448.028     163.9183   -7.8607479    5.2758378   -1072.9151   -1067.6392 
-   16050        1.605  0.076457324    1476.1802    161.67871   -7.8741051    5.2037547    -1072.843   -1067.6392 
-   16100         1.61  0.076457365    1517.1195      158.257   -7.8821118    5.0936245   -1072.7329   -1067.6392 
-   16150        1.615   0.07645732    1551.8013    154.48554   -7.8845021    4.9722371   -1072.6115   -1067.6392 
-   16200         1.62  0.076457224    1563.4592    151.61692   -7.8867696    4.8799081   -1072.5191   -1067.6392 
-   16250        1.625  0.076457231    1568.8982    150.52413   -7.8928325    4.8447358    -1072.484   -1067.6392 
-   16300         1.63  0.076457315    1587.8208    151.31592   -7.9028799    4.8702203   -1072.5095   -1067.6392 
-   16350        1.635  0.076457401    1587.1658    153.58503   -7.9155357    4.9432533   -1072.5825   -1067.6392 
-   16400         1.64    0.0764574    1564.8466    156.97281   -7.9329671    5.0522917   -1072.6915   -1067.6392 
-   16450        1.645  0.076457324    1559.9515    161.25392   -7.9569659    5.1900827   -1072.8293   -1067.6392 
-   16500         1.65   0.07645729    1572.1491    166.16033   -7.9871415    5.3479991   -1072.9872   -1067.6392 
-   16550        1.655  0.076457319    1587.1041    171.09675   -8.0223182    5.5068818   -1073.1461   -1067.6392 
-   16600         1.66  0.076457367    1611.2738    175.10798   -8.0612322    5.6359861   -1073.2752   -1067.6392 
-   16650        1.665  0.076457363     1645.197    177.28144    -8.100579    5.7059409   -1073.3452   -1067.6392 
-   16700         1.67  0.076457373     1687.596    177.10275   -8.1330656    5.7001896   -1073.3394   -1067.6392 
-   16750        1.675  0.076457406    1741.0657    174.63626   -8.1549243    5.6208035     -1073.26   -1067.6392 
-   16800         1.68  0.076457428    1770.5295     170.6939   -8.1775588    5.4939157   -1073.1331   -1067.6392 
-   16850        1.685  0.076457412    1764.9164    166.35555   -8.2116214    5.3542824   -1072.9935   -1067.6392 
-   16900         1.69  0.076457377    1753.4555    162.46345     -8.24703    5.2290123   -1072.8682   -1067.6392 
-   16950        1.695  0.076457382    1737.3044    159.85392   -8.2679658    5.1450224   -1072.7843   -1067.6392 
-   17000          1.7  0.076457397    1698.4267    159.38372   -8.2771546    5.1298887   -1072.7691   -1067.6392 
-   17050        1.705  0.076457398    1648.5432    161.02257   -8.2829365    5.1826363   -1072.8219   -1067.6392 
-   17100         1.71  0.076457362    1597.8104    163.90303   -8.2883924    5.2753461   -1072.9146   -1067.6392 
-   17150        1.715  0.076457407    1581.3305    167.13768   -8.2982879    5.3794559   -1073.0187   -1067.6392 
-   17200         1.72  0.076457416    1615.3538    169.91691   -8.3147181    5.4689075   -1073.1081   -1067.6392 
-   17250        1.725  0.076457317     1640.517    171.76528   -8.3382653    5.5283989   -1073.1676   -1067.6392 
-   17300         1.73  0.076457279    1642.0824    172.72393   -8.3672834    5.5592538   -1073.1985   -1067.6392 
-   17350        1.735  0.076457358    1654.7782    173.20812   -8.3956352    5.5748377   -1073.2141   -1067.6392 
-   17400         1.74  0.076457387    1690.9444    174.02756   -8.4250034    5.6012122   -1073.2404   -1067.6392 
-   17450        1.745  0.076457318    1700.9667    175.61591   -8.4582001    5.6523344   -1073.2916   -1067.6392 
-   17500         1.75  0.076457288    1647.3737    177.46686   -8.4919066    5.7119087   -1073.3511   -1067.6392 
-   17550        1.755  0.076457298    1540.9506    178.64086   -8.5244634    5.7496947   -1073.3889   -1067.6392 
-   17600         1.76  0.076457329    1446.6813    178.43003    -8.554886    5.7429089   -1073.3821   -1067.6392 
-   17650        1.765  0.076457379    1412.0895    176.95558   -8.5854884    5.6954528   -1073.3347   -1067.6392 
-   17700         1.77  0.076457349     1414.559     175.0213   -8.6219735    5.6331963   -1073.2724   -1067.6392 
-   17750        1.775  0.076457246    1413.6264    173.04798   -8.6573217    5.5696835   -1073.2089   -1067.6392 
-   17800         1.78  0.076457222     1399.031    170.80066    -8.673405    5.4973518   -1073.1366   -1067.6392 
-   17850        1.785  0.076457257    1402.9589    168.32364   -8.6692442     5.417627   -1073.0569   -1067.6392 
-   17900         1.79  0.076457292    1421.4914    166.26754    -8.667908    5.3514498   -1072.9907   -1067.6392 
-   17950        1.795   0.07645729    1459.6161    165.06532   -8.6883597    5.3127556    -1072.952   -1067.6392 
-   18000          1.8   0.07645728    1526.0272     164.4467    -8.724083    5.2928448   -1072.9321   -1067.6392 
-   18050        1.805  0.076457285     1579.053    164.14599   -8.7580049     5.283166   -1072.9224   -1067.6392 
-   18100         1.81  0.076457295    1585.8299    164.68311   -8.7876471    5.3004537   -1072.9397   -1067.6392 
-   18150        1.815  0.076457311    1571.4213    167.11719     -8.82749    5.3787965    -1073.018   -1067.6392 
-   18200         1.82  0.076457253    1566.7735    171.84493   -8.8828984    5.5309623   -1073.1702   -1067.6392 
-   18250        1.825  0.076457211    1565.9409    178.03402   -8.9379169    5.7301632   -1073.3694   -1067.6392 
-   18300         1.83  0.076457261    1564.3982    184.19934    -8.977693    5.9285986   -1073.5678   -1067.6392 
-   18350        1.835   0.07645725    1565.4674    188.93147   -9.0068361    6.0809061   -1073.7201   -1067.6392 
-   18400         1.84  0.076457214    1575.9469    191.19229   -9.0319747    6.1536724   -1073.7929   -1067.6392 
-   18450        1.845  0.076457289    1591.7212    190.75232   -9.0530056    6.1395115   -1073.7787   -1067.6392 
-   18500         1.85  0.076457356    1602.2968    188.42238   -9.0750081    6.0645207   -1073.7038   -1067.6392 
-   18550        1.855  0.076457289     1601.939    185.22419   -9.1006094    5.9615844   -1073.6008   -1067.6392 
-   18600         1.86  0.076457199    1571.9204    181.88092   -9.1245655    5.8539786   -1073.4932   -1067.6392 
-   18650        1.865  0.076457174    1547.9534    179.20735   -9.1468721    5.7679277   -1073.4072   -1067.6392 
-   18700         1.87  0.076457165    1552.3316    177.96057   -9.1713552    5.7277992    -1073.367   -1067.6392 
-   18750        1.875  0.076457197    1553.5318     178.2992   -9.1953424    5.7386981   -1073.3779   -1067.6392 
-   18800         1.88  0.076457184    1502.7768    179.82752   -9.2133625    5.7878883   -1073.4271   -1067.6392 
-   18850        1.885  0.076457121     1411.167    181.98955    -9.226772     5.857475   -1073.4967   -1067.6392 
-   18900         1.89   0.07645718    1331.5599    184.25555    -9.244306    5.9304078   -1073.5696   -1067.6392 
-   18950        1.895  0.076457306    1300.8838    185.96704    -9.269864    5.9854936   -1073.6247   -1067.6392 
-   19000          1.9  0.076457332    1341.3268    186.45142   -9.2968684    6.0010837   -1073.6403   -1067.6392 
-   19050        1.905  0.076457294    1418.9495    185.73025   -9.3201217    5.9778722   -1073.6171   -1067.6392 
-   19100         1.91  0.076457261    1469.3348    184.71078   -9.3405594    5.9450597   -1073.5843   -1067.6392 
-   19150        1.915   0.07645726    1494.8858    184.40838   -9.3593456    5.9353267   -1073.5746   -1067.6392 
-   19200         1.92  0.076457302    1535.9214    185.12696   -9.3754395     5.958455   -1073.5977   -1067.6392 
-   19250        1.925  0.076457322    1578.5937     186.7022   -9.3955891    6.0091552   -1073.6484   -1067.6392 
-   19300         1.93   0.07645736    1578.7452    188.80101   -9.4323472     6.076707   -1073.7159   -1067.6392 
-   19350        1.935  0.076457464    1549.5413    190.55677   -9.4860328    6.1332175   -1073.7725   -1067.6392 
-   19400         1.94  0.076457401    1518.0105     190.8838    -9.545051    6.1437434    -1073.783   -1067.6392 
-   19450        1.945  0.076457226    1476.9524    189.41845   -9.6005799    6.0965799   -1073.7358   -1067.6392 
-   19500         1.95  0.076457236    1453.8032     186.8834   -9.6531215    6.0149872   -1073.6542   -1067.6392 
-   19550        1.955  0.076457309    1436.5876    184.62159   -9.7075641     5.942189   -1073.5814   -1067.6392 
-   19600         1.96  0.076457314    1395.5458    183.83049   -9.7642712    5.9167271    -1073.556   -1067.6392 
-   19650        1.965  0.076457309     1342.194    185.07394   -9.8173107    5.9567485    -1073.596   -1067.6392 
-   19700         1.97  0.076457382    1296.9221    188.42121    -9.866389    6.0644829   -1073.7037   -1067.6392 
-   19750        1.975  0.076457367    1284.6809    193.29911   -9.9107399    6.2214817   -1073.8607   -1067.6392 
-   19800         1.98  0.076457239    1277.2922    198.66316    -9.946204    6.3941279   -1074.0334   -1067.6392 
-   19850        1.985  0.076457182    1240.7957    203.40147   -9.9754722    6.5466343   -1074.1859   -1067.6392 
-   19900         1.99   0.07645726    1203.1195    206.12078   -10.001353    6.6341571   -1074.2734   -1067.6392 
-   19950        1.995  0.076457363    1202.7274    205.68644   -10.025039    6.6201776   -1074.2594   -1067.6392 
-   20000            2  0.076457341     1220.191    202.20273   -10.047292    6.5080517   -1074.1473   -1067.6392 
-   20050        2.005  0.076457241    1219.9293    197.12841   -10.066398    6.3447308    -1073.984   -1067.6392 
-   20100         2.01  0.076457168    1194.4117    192.23758   -10.079101    6.1873157   -1073.8265   -1067.6392 
-   20150        2.015  0.076457198    1169.6328    188.78101   -10.085348    6.0760632   -1073.7153   -1067.6392 
-   20200         2.02  0.076457237    1170.2112    187.39597   -10.084836    6.0314848   -1073.6707   -1067.6392 
-   20250        2.025  0.076457263    1178.3781    188.35798   -10.080252    6.0624476   -1073.7017   -1067.6392 
-   20300         2.03  0.076457263    1193.5136    191.43468   -10.076517    6.1614738   -1073.8007   -1067.6392 
-   20350        2.035  0.076457217     1217.151    195.69411   -10.073155    6.2985667   -1073.9378   -1067.6392 
-   20400         2.04  0.076457203    1235.3327     200.1109   -10.073615    6.4407245     -1074.08   -1067.6392 
-   20450        2.045  0.076457254    1242.9155    203.63993   -10.081258    6.5543091   -1074.1935   -1067.6392 
-   20500         2.05  0.076457271    1241.9055     205.2779   -10.095394    6.6070286   -1074.2463   -1067.6392 
-   20550        2.055  0.076457271    1221.6949    204.56884   -10.116586    6.5842068   -1074.2234   -1067.6392 
-   20600         2.06  0.076457294    1226.6359    201.68982   -10.144389    6.4915433   -1074.1308   -1067.6392 
-   20650        2.065   0.07645732    1283.4482    197.23304   -10.174916    6.3480985   -1073.9873   -1067.6392 
-   20700         2.07  0.076457316      1329.13    192.42022   -10.208859    6.1931942   -1073.8324   -1067.6392 
-   20750        2.075  0.076457251    1326.0056    189.01786   -10.251588    6.0836867   -1073.7229   -1067.6392 
-   20800         2.08  0.076457224    1289.0675    188.31447   -10.298492    6.0610474   -1073.7003   -1067.6392 
-   20850        2.085  0.076457272    1261.4039    190.77218   -10.344257    6.1401507   -1073.7794   -1067.6392 
-   20900         2.09  0.076457341    1274.4048    195.96512   -10.390177    6.3072895   -1073.9465   -1067.6392 
-   20950        2.095  0.076457382    1294.6179    202.31796    -10.42989    6.5117606    -1074.151   -1067.6392 
-   21000          2.1  0.076457336    1271.5204    207.81694   -10.451365    6.6887496    -1074.328   -1067.6392 
-   21050        2.105  0.076457218    1224.8924    211.49094   -10.462946    6.8070002   -1074.4462   -1067.6392 
-   21100         2.11  0.076457179    1197.0124    213.27369   -10.482662    6.8643792   -1074.5036   -1067.6392 
-   21150        2.115  0.076457232    1200.2169    213.01628   -10.509071    6.8560942   -1074.4953   -1067.6392 
-   21200         2.12  0.076457334    1233.3373    211.01674   -10.539776    6.7917377    -1074.431   -1067.6392 
-   21250        2.125  0.076457324    1292.2293    208.23361   -10.582784    6.7021603   -1074.3414   -1067.6392 
-   21300         2.13  0.076457234    1353.0348    205.33718   -10.632972    6.6089366   -1074.2482   -1067.6392 
-   21350        2.135  0.076457274    1390.9107    202.43255   -10.667402    6.5154488   -1074.1547   -1067.6392 
-   21400         2.14  0.076457309    1398.7408    199.69704   -10.670157    6.4274041   -1074.0666   -1067.6392 
-   21450        2.145  0.076457306    1400.5231    197.71241   -10.646924    6.3635274   -1074.0028   -1067.6392 
-   21500         2.15  0.076457319    1422.7259    197.36253   -10.618311    6.3522661   -1073.9915   -1067.6392 
-   21550        2.155  0.076457297    1434.7766    199.14128   -10.598724    6.4095165   -1074.0487   -1067.6392 
-   21600         2.16  0.076457278    1429.5442    202.52793   -10.589548    6.5185185   -1074.1577   -1067.6392 
-   21650        2.165  0.076457295     1420.497     206.1935   -10.591701     6.636498   -1074.2757   -1067.6392 
-   21700         2.17  0.076457276    1378.0825    208.36958   -10.599065    6.7065365   -1074.3458   -1067.6392 
-   21750        2.175  0.076457297    1325.5891    208.06821   -10.604715    6.6968368   -1074.3361   -1067.6392 
-   21800         2.18  0.076457341    1286.1379    205.87017   -10.612217    6.6260911   -1074.2653   -1067.6392 
-   21850        2.185  0.076457343    1249.4394    203.00417   -10.618963    6.5338467   -1074.1731   -1067.6392 
-   21900         2.19  0.076457342    1219.6068    200.92404   -10.618829    6.4668963   -1074.1061   -1067.6392 
-   21950        2.195  0.076457255    1203.2091    201.06239   -10.615316    6.4713491   -1074.1106   -1067.6392 
-   22000          2.2  0.076457157    1207.2707    203.83245   -10.616122    6.5605055   -1074.1997   -1067.6392 
-   22050        2.205  0.076457174    1213.7955    208.32753   -10.627885    6.7051832   -1074.3444   -1067.6392 
-   22100         2.21  0.076457305    1217.4318    212.84143   -10.652913    6.8504667   -1074.4897   -1067.6392 
-   22150        2.215  0.076457345    1210.5327     215.5321   -10.688094    6.9370678   -1074.5763   -1067.6392 
-   22200         2.22  0.076457215    1195.2458    215.20969    -10.73343    6.9266909   -1074.5659   -1067.6392 
-   22250        2.225  0.076457077    1182.8507    211.73156   -10.788326    6.8147447    -1074.454   -1067.6392 
-   22300         2.23  0.076457075    1161.1546    206.13732   -10.841515    6.6346895   -1074.2739   -1067.6392 
-   22350        2.235  0.076457134    1136.2879    200.67718   -10.880177    6.4589508   -1074.0982   -1067.6392 
-   22400         2.24   0.07645722    1141.1588    197.90394   -10.902196     6.369692   -1074.0089   -1067.6392 
-   22450        2.245   0.07645725    1183.4596    199.22083   -10.913175     6.412077   -1074.0513   -1067.6392 
-   22500         2.25  0.076457199    1229.4238    204.41082   -10.921755    6.5791208   -1074.2184   -1067.6392 
-   22550        2.255  0.076457171     1264.902    212.14836   -10.939819    6.8281595   -1074.4674   -1067.6392 
-   22600         2.26  0.076457158    1287.9026    220.33991   -10.971089     7.091811    -1074.731   -1067.6392 
-   22650        2.265  0.076457207    1311.4828     226.7258   -11.007167    7.2973458   -1074.9366   -1067.6392 
-   22700         2.27  0.076457319    1353.9253    229.84218   -11.040634    7.3976489   -1075.0369   -1067.6392 
-   22750        2.275  0.076457274    1390.1174    229.24441   -11.068644    7.3784091   -1075.0176   -1067.6392 
-   22800         2.28  0.076457156    1387.0664    225.36499   -11.095325    7.2535471   -1074.8928   -1067.6392 
-   22850        2.285  0.076457176    1360.9519    219.18675   -11.130488    7.0546956   -1074.6939   -1067.6392 
-   22900         2.29  0.076457316     1344.359    211.76274   -11.174978    6.8157482    -1074.455   -1067.6392 
-   22950        2.295   0.07645732    1299.3984    204.35647   -11.214963    6.5773717   -1074.2166   -1067.6392 
-   23000          2.3  0.076457162    1231.7571    198.93484     -11.2383    6.4028722   -1074.0421   -1067.6392 
-   23050        2.305   0.07645712    1199.0791    197.45133   -11.245595    6.3551243   -1073.9944   -1067.6392 
-   23100         2.31  0.076457206    1194.5403    200.36018   -11.246069    6.4487479    -1074.088   -1067.6392 
-   23150        2.315   0.07645717    1213.0855    206.27572   -11.249945    6.6391441   -1074.2784   -1067.6392 
-   23200         2.32  0.076457149    1247.0389    212.62317    -11.25317    6.8434419   -1074.4827   -1067.6392 
-   23250        2.325  0.076457232    1252.9771    217.14066   -11.243809    6.9888406   -1074.6281   -1067.6392 
-   23300         2.33  0.076457298    1246.3963     219.5467   -11.230203    7.0662811   -1074.7055   -1067.6392 
-   23350        2.335  0.076457347    1263.8532    220.90621   -11.226826    7.1100378   -1074.7493   -1067.6392 
-   23400         2.34  0.076457343    1278.9193    222.02245   -11.231757    7.1459649   -1074.7852   -1067.6392 
-   23450        2.345  0.076457298    1271.4615    223.28544   -11.242585    7.1866153   -1074.8258   -1067.6392 
-   23500         2.35  0.076457216    1263.4764    224.76526   -11.261772    7.2342444   -1074.8735   -1067.6392 
-   23550        2.355  0.076457156    1269.5953    225.95356   -11.284145    7.2724905   -1074.9117   -1067.6392 
-   23600         2.36  0.076457239     1268.359    226.26773   -11.305282    7.2826025   -1074.9218   -1067.6392 
-   23650        2.365  0.076457257    1265.5906    225.69913     -11.3327    7.2643016   -1074.9035   -1067.6392 
-   23700         2.37  0.076457123    1275.7614    224.53597   -11.374051    7.2268646   -1074.8661   -1067.6392 
-   23750        2.375  0.076457085    1287.3169    222.75095   -11.424079    7.1694122   -1074.8086   -1067.6392 
-   23800         2.38  0.076457174    1303.4659    219.83945   -11.467156    7.0757035   -1074.7149   -1067.6392 
-   23850        2.385  0.076457349    1312.2776     215.4104   -11.491657    6.9331509   -1074.5724   -1067.6392 
-   23900         2.39  0.076457447    1300.2196    210.22181   -11.505842     6.766152   -1074.4054   -1067.6392 
-   23950        2.395  0.076457318    1285.3883    205.91466   -11.523034    6.6275231   -1074.2668   -1067.6392 
-   24000          2.4  0.076457215    1271.3069    203.89116   -11.544141    6.5623954   -1074.2016   -1067.6392 
-   24050        2.405   0.07645717    1275.6297    204.82158   -11.568504    6.5923414   -1074.2316   -1067.6392 
-   24100         2.41  0.076457155    1308.5278    208.28691   -11.593169     6.703876   -1074.3431   -1067.6392 
-   24150        2.415  0.076457173    1320.3939    213.14435   -11.610405    6.8602164   -1074.4994   -1067.6392 
-   24200         2.42  0.076457286    1290.2677    218.34701   -11.616172    7.0276681   -1074.6669   -1067.6392 
-   24250        2.425   0.07645742    1266.5534    223.16759   -11.612622     7.182822   -1074.8221   -1067.6392 
-   24300         2.43  0.076457424    1263.1458    227.14553   -11.607449     7.310855   -1074.9501   -1067.6392 
-   24350        2.435  0.076457322    1278.3394    229.88879   -11.606753    7.3991491   -1075.0384   -1067.6392 
-   24400         2.44  0.076457217    1299.8856    231.18375    -11.60862    7.4408286   -1075.0801   -1067.6392 
-   24450        2.445  0.076457261    1314.6037    231.51695   -11.609751    7.4515526   -1075.0908   -1067.6392 
-   24500         2.45  0.076457395    1306.5195    231.80528   -11.609243    7.4608328   -1075.1001   -1067.6392 
-   24550        2.455  0.076457379    1284.1202    232.64324    -11.61431    7.4878034    -1075.127   -1067.6392 
-   24600         2.46  0.076457237    1266.9925    233.34522   -11.628582     7.510397   -1075.1496   -1067.6392 
-   24650        2.465  0.076457198    1282.9995    232.39636   -11.648257    7.4798573   -1075.1191   -1067.6392 
-   24700         2.47   0.07645726     1305.414    229.20359   -11.674265    7.3770956   -1075.0163   -1067.6392 
-   24750        2.475   0.07645732    1301.6393    224.60137   -11.703977    7.2289695   -1074.8682   -1067.6392 
-   24800         2.48  0.076457337    1286.6037    220.28411   -11.728511     7.090015   -1074.7292   -1067.6392 
-   24850        2.485  0.076457248    1285.2636    217.75575   -11.741746    7.0086378   -1074.6479   -1067.6392 
-   24900         2.49  0.076457211    1273.3347    217.15842   -11.738866    6.9894122   -1074.6286   -1067.6392 
-   24950        2.495  0.076457314    1254.4627    217.67065   -11.724117    7.0058988   -1074.6451   -1067.6392 
-   25000          2.5   0.07645736    1252.7349     218.6929   -11.717307    7.0388007    -1074.678   -1067.6392 
-   25050        2.505  0.076457303    1253.3725     220.1096   -11.733758    7.0843985   -1074.7236   -1067.6392 
-   25100         2.51  0.076457303    1226.6085    221.88399   -11.763112    7.1415083   -1074.7807   -1067.6392 
-   25150        2.515  0.076457323    1179.7816    224.12648   -11.787319    7.2136847   -1074.8529   -1067.6392 
-   25200         2.52  0.076457341    1147.9357    227.17475   -11.806595    7.3117955    -1074.951   -1067.6392 
-   25250        2.525  0.076457289    1122.8538    230.61744   -11.827081    7.4226013   -1075.0618   -1067.6392 
-   25300         2.53  0.076457275    1123.0584    232.62891   -11.840179     7.487342   -1075.1266   -1067.6392 
-   25350        2.535  0.076457325    1135.7283    231.67931   -11.840266    7.4567784    -1075.096   -1067.6392 
-   25400         2.54  0.076457369    1132.9884    228.34818   -11.841402    7.3495632   -1074.9888   -1067.6392 
-   25450        2.545  0.076457373    1126.8396    224.33046   -11.849704    7.2202499   -1074.8595   -1067.6392 
-   25500         2.55  0.076457345    1138.9754    220.94924   -11.854541    7.1114227   -1074.7507   -1067.6392 
-   25550        2.555  0.076457293    1161.4091    218.97947    -11.85351    7.0480242   -1074.6873   -1067.6392 
-   25600         2.56  0.076457314    1174.3492    218.77523   -11.860158    7.0414507   -1074.6807   -1067.6392 
-   25650        2.565   0.07645744    1168.4635    220.04213   -11.881157    7.0822266   -1074.7215   -1067.6392 
-   25700         2.57  0.076457455    1176.9925    222.26325   -11.910611     7.153715   -1074.7929   -1067.6392 
-   25750        2.575  0.076457341    1184.7961    225.03857   -11.939316    7.2430409   -1074.8823   -1067.6392 
-   25800         2.58  0.076457304    1154.7511    227.79451   -11.960291    7.3317431    -1074.971   -1067.6392 
-   25850        2.585  0.076457382    1114.3611    229.90007    -11.97576    7.3995122   -1075.0387   -1067.6392 
-   25900         2.59  0.076457443    1085.8869    230.83015   -11.989347    7.4294476   -1075.0687   -1067.6392 
-   25950        2.595  0.076457402    1078.3201    230.19636   -12.002061    7.4090485   -1075.0483   -1067.6392 
-   26000          2.6  0.076457319    1095.9541    227.61221   -12.008597    7.3258755   -1074.9651   -1067.6392 
-   26050        2.605  0.076457291    1140.9903    223.50282   -12.008527    7.1936117   -1074.8328   -1067.6392 
-   26100         2.61  0.076457385     1178.622    219.76032   -12.018995    7.0731563   -1074.7124   -1067.6392 
-   26150        2.615  0.076457448    1173.4374    218.06955   -12.044671    7.0187377    -1074.658   -1067.6392 
-   26200         2.62  0.076457408    1151.1453    218.96082   -12.075861    7.0474238   -1074.6867   -1067.6392 
-   26250        2.625  0.076457383    1155.4138    222.06391   -12.101821    7.1472992   -1074.7865   -1067.6392 
-   26300         2.63  0.076457372    1194.7964    226.66949   -12.116261    7.2955333   -1074.9348   -1067.6392 
-   26350        2.635  0.076457363    1223.2766    232.21329   -12.127208    7.4739649   -1075.1132   -1067.6392 
-   26400         2.64  0.076457354    1223.9805    237.61275   -12.140513    7.6477507    -1075.287   -1067.6392 
-   26450        2.645  0.076457281     1218.086    241.25999    -12.14955    7.7651401   -1075.4044   -1067.6392 
-   26500         2.65   0.07645724    1226.9905    242.22464   -12.151248    7.7961882   -1075.4354   -1067.6392 
-   26550        2.655  0.076457293    1247.8203     240.6035   -12.151475    7.7440104   -1075.3832   -1067.6392 
-   26600         2.66  0.076457269    1242.9798    237.04434   -12.161376    7.6294559   -1075.2687   -1067.6392 
-   26650        2.665  0.076457162    1205.6877    232.19203   -12.183196    7.4732806   -1075.1125   -1067.6392 
-   26700         2.67   0.07645716    1172.6996    227.25303   -12.214748    7.3143152   -1074.9535   -1067.6392 
-   26750        2.675  0.076457262    1153.9255    224.05517   -12.256042    7.2113895   -1074.8506   -1067.6392 
-   26800         2.68  0.076457311    1136.0414    223.48738   -12.295525    7.1931146   -1074.8323   -1067.6392 
-   26850        2.685  0.076457307    1118.9445    225.12955   -12.319088    7.2459693   -1074.8852   -1067.6392 
-   26900         2.69  0.076457308    1108.0624     228.2382   -12.325255    7.3460238   -1074.9853   -1067.6392 
-   26950        2.695  0.076457378    1116.2269    232.45212   -12.323702    7.4816518   -1075.1209   -1067.6392 
-   27000          2.7   0.07645739    1134.9488    237.58432   -12.328662    7.6468358   -1075.2861   -1067.6392 
-   27050        2.705   0.07645735    1138.9878    242.69968   -12.344967    7.8114775   -1075.4507   -1067.6392 
-   27100         2.71   0.07645736    1129.3313    246.18245   -12.366079    7.9235733   -1075.5628   -1067.6392 
-   27150        2.715  0.076457354    1124.2775    246.92127   -12.384885    7.9473528   -1075.5866   -1067.6392 
-   27200         2.72  0.076457305     1108.739    245.14655   -12.403913    7.8902318   -1075.5295   -1067.6392 
-   27250        2.725  0.076457306    1108.6304    241.74994   -12.427874    7.7809096   -1075.4201   -1067.6392 
-   27300         2.73  0.076457366    1145.8269    237.40384   -12.453673     7.641027   -1075.2803   -1067.6392 
-   27350        2.735  0.076457346    1182.0337    232.72259   -12.475581    7.4903572   -1075.1296   -1067.6392 
-   27400         2.74  0.076457288    1197.1644    228.48145   -12.490327    7.3538529   -1074.9931   -1067.6392 
-   27450        2.745  0.076457272    1211.3793    225.74198    -12.50044    7.2656808   -1074.9049   -1067.6392 
-   27500         2.75  0.076457331    1258.8799    225.52316   -12.511305    7.2586379   -1074.8979   -1067.6392 
-   27550        2.755  0.076457388    1308.0524    227.54337   -12.522462    7.3236601   -1074.9629   -1067.6392 
-   27600         2.76  0.076457348     1328.121    230.14115   -12.523762    7.4072716   -1075.0465   -1067.6392 
-   27650        2.765  0.076457243    1340.2612    232.32442   -12.510293    7.4775417   -1075.1168   -1067.6392 
-   27700         2.77  0.076457161    1351.5963     234.3197   -12.488706    7.5417616    -1075.181   -1067.6392 
-   27750        2.775  0.076457282    1357.7982    236.12334   -12.460757    7.5998128    -1075.239   -1067.6392 
-   27800         2.78  0.076457422    1361.4651    237.29306   -12.430447    7.6374614   -1075.2767   -1067.6392 
-   27850        2.785  0.076457378    1361.9438    237.41071   -12.408369    7.6412479   -1075.2805   -1067.6392 
-   27900         2.79  0.076457207    1354.0021    236.45794   -12.402868    7.6105824   -1075.2498   -1067.6392 
-   27950        2.795  0.076457167    1330.2965    235.02473   -12.414971    7.5644534   -1075.2037   -1067.6392 
-   28000          2.8  0.076457251    1299.3048     233.7726    -12.43317    7.5241524   -1075.1634   -1067.6392 
-   28050        2.805  0.076457269    1277.0133    233.28243   -12.448406    7.5083761   -1075.1476   -1067.6392 
-   28100         2.81  0.076457225    1251.8497     234.0353   -12.464212    7.5326077   -1075.1718   -1067.6392 
-   28150        2.815  0.076457297    1208.4966    235.64084   -12.477803    7.5842833   -1075.2235   -1067.6392 
-   28200         2.82  0.076457399    1198.6158    237.16084   -12.484054    7.6332057   -1075.2724   -1067.6392 
-   28250        2.825  0.076457406    1239.4401     237.9696   -12.486107    7.6592361   -1075.2985   -1067.6392 
-   28300         2.83  0.076457357    1293.9124     237.8743   -12.489779    7.6561691   -1075.2954   -1067.6392 
-   28350        2.835  0.076457319    1312.3301    237.34832    -12.50409      7.63924   -1075.2785   -1067.6392 
-   28400         2.84  0.076457322    1285.5505    237.14016   -12.527163    7.6325402   -1075.2718   -1067.6392 
-   28450        2.845  0.076457378    1245.9557    237.75445   -12.548289    7.6523114   -1075.2915   -1067.6392 
-   28500         2.85  0.076457388    1235.3861    238.91062   -12.557157    7.6895238   -1075.3288   -1067.6392 
-   28550        2.855  0.076457337    1268.9513    240.25184   -12.560084    7.7326918   -1075.3719   -1067.6392 
-   28600         2.86  0.076457363    1304.4221    241.87684   -12.576878    7.7849937   -1075.4242   -1067.6392 
-   28650        2.865  0.076457362    1297.8936    243.05258    -12.60596    7.8228358   -1075.4621   -1067.6392 
-   28700         2.87  0.076457347    1249.8912    242.36176   -12.630048    7.8006014   -1075.4398   -1067.6392 
-   28750        2.875  0.076457391    1211.5737    239.53884   -12.648513    7.7097434    -1075.349   -1067.6392 
-   28800         2.88  0.076457383    1202.6703    235.69511   -12.669768      7.58603   -1075.2253   -1067.6392 
-   28850        2.885   0.07645729    1216.8735    232.20584   -12.686867    7.4737252    -1075.113   -1067.6392 
-   28900         2.89  0.076457246    1241.5924    230.54911   -12.693862    7.4204019   -1075.0596   -1067.6392 
-   28950        2.895  0.076457286     1240.767    231.97347   -12.701097    7.4662461   -1075.1055   -1067.6392 
-   29000          2.9  0.076457358    1217.5962    236.18629   -12.716277    7.6018392   -1075.2411   -1067.6392 
-   29050        2.905  0.076457432    1196.6203    241.17448    -12.73636    7.7623879   -1075.4016   -1067.6392 
-   29100         2.91  0.076457522    1195.7297     244.6264   -12.752906    7.8734904   -1075.5127   -1067.6392 
-   29150        2.915  0.076457557    1231.0931    245.54928   -12.765411    7.9031941   -1075.5424   -1067.6392 
-   29200         2.92   0.07645753    1267.4904    244.15127   -12.781472    7.8581982   -1075.4974   -1067.6392 
-   29250        2.925  0.076457521    1284.1755     240.9389   -12.800258    7.7548054    -1075.394   -1067.6392 
-   29300         2.93  0.076457564    1286.0387    237.25035   -12.821281    7.6360866   -1075.2753   -1067.6392 
-   29350        2.935  0.076457553    1256.2955    235.11519   -12.847909    7.5673647   -1075.2066   -1067.6392 
-   29400         2.94  0.076457534    1204.4184     235.8746   -12.878902     7.591807    -1075.231   -1067.6392 
-   29450        2.945  0.076457502    1156.6997    239.23804   -12.906804     7.700062   -1075.3393   -1067.6392 
-   29500         2.95  0.076457485    1116.1408    243.69565   -12.924534    7.8435336   -1075.4828   -1067.6392 
-   29550        2.955  0.076457504    1105.9977    247.90665   -12.938831     7.979068   -1075.6183   -1067.6392 
-   29600         2.96  0.076457547    1114.6315    250.84823   -12.956708    8.0737448    -1075.713   -1067.6392 
-   29650        2.965   0.07645753    1139.9431    251.55972   -12.974842    8.0966448   -1075.7359   -1067.6392 
-   29700         2.97  0.076457492    1194.9224    249.83103   -12.990073    8.0410056   -1075.6802   -1067.6392 
-   29750        2.975  0.076457443     1239.364     246.6967   -13.001472    7.9401246   -1075.5794   -1067.6392 
-   29800         2.98  0.076457457    1252.6783    243.80542   -13.010513    7.8470666   -1075.4863   -1067.6392 
-   29850        2.985  0.076457512    1240.1645    241.74022   -13.018373    7.7805965   -1075.4198   -1067.6392 
-   29900         2.99  0.076457565    1223.7615    239.43409   -13.020593    7.7063721   -1075.3456   -1067.6392 
-   29950        2.995  0.076457595    1204.1487    235.75951   -13.015055    7.5881027   -1075.2273   -1067.6392 
-   30000            3  0.076457625    1186.3894     230.7717   -13.002308    7.4275663   -1075.0668   -1067.6392 
-   30050        3.005  0.076457551    1196.5894    226.06185   -12.988551     7.275976   -1074.9152   -1067.6392 
-   30100         3.01  0.076457433    1233.2652    224.05561    -12.98272    7.2114038   -1074.8506   -1067.6392 
-   30150        3.015  0.076457506    1263.4065     226.5763   -12.989178    7.2925339   -1074.9318   -1067.6392 
-   30200         3.02  0.076457597    1273.2272    233.82971   -13.003426    7.5259905   -1075.1652   -1067.6392 
-   30250        3.025  0.076457526    1276.9473    244.40258   -13.018097    7.8662868   -1075.5055   -1067.6392 
-   30300         3.03  0.076457432    1275.5446    255.93782   -13.034602    8.2375574   -1075.8768   -1067.6392 
-   30350        3.035  0.076457464    1250.8783    265.87839   -13.057824    8.5575024   -1076.1967   -1067.6392 
-   30400         3.04  0.076457427    1235.9551    272.00442   -13.083661    8.7546732   -1076.3939   -1067.6392 
-   30450        3.045  0.076457316    1235.5042    273.37792   -13.111283    8.7988804   -1076.4381   -1067.6392 
-   30500         3.05   0.07645726    1230.6233    270.64686   -13.146707    8.7109792   -1076.3502   -1067.6392 
-   30550        3.055  0.076457233    1224.1115     265.0222   -13.182314    8.5299452   -1076.1692   -1067.6392 
-   30600         3.06  0.076457361    1212.3027    257.68391   -13.202367    8.2937568    -1075.933   -1067.6392 
-   30650        3.065  0.076457487    1190.0178    249.77024   -13.201564    8.0390489   -1075.6783   -1067.6392 
-   30700         3.07  0.076457394    1161.8109    242.31657   -13.191293    7.7991468   -1075.4384   -1067.6392 
-   30750        3.075  0.076457252    1158.6855    236.08427    -13.18911    7.5985553   -1075.2378   -1067.6392 
-   30800         3.08  0.076457183    1168.5206    231.60347   -13.197075    7.4543374   -1075.0936   -1067.6392 
-   30850        3.085  0.076457279    1158.9328    229.71585   -13.209643    7.3935831   -1075.0328   -1067.6392 
-   30900         3.09  0.076457454    1136.1168    231.05928   -13.230895    7.4368221   -1075.0761   -1067.6392 
-   30950        3.095  0.076457365    1140.4629    234.79871   -13.261019    7.5571786   -1075.1964   -1067.6392 
-   31000          3.1  0.076457233    1151.4718    238.95885     -13.2835     7.691076   -1075.3303   -1067.6392 
-   31050        3.105  0.076457249    1136.0165    241.99628   -13.285479    7.7888381   -1075.4281   -1067.6392 
-   31100         3.11  0.076457312    1095.4919     243.6173   -13.274528     7.841012   -1075.4802   -1067.6392 
-   31150        3.115  0.076457361    1043.3403    244.60685   -13.261288    7.8728613   -1075.5121   -1067.6392 
-   31200         3.12  0.076457255    1000.1386    246.53553   -13.250369    7.9349374   -1075.5742   -1067.6392 
-   31250        3.125  0.076457166    991.81643    250.55835    -13.24872    8.0644151   -1075.7036   -1067.6392 
-   31300         3.13  0.076457166    1022.1079     256.4075   -13.267835    8.2526743   -1075.8919   -1067.6392 
-   31350        3.135  0.076457189    1054.9092    262.76827   -13.305663    8.4574006   -1076.0966   -1067.6392 
-   31400         3.14   0.07645724    1060.5815    267.85735   -13.342713    8.6211968   -1076.2604   -1067.6392 
-   31450        3.145  0.076457287    1049.3579    269.97994    -13.36678    8.6895138   -1076.3287   -1067.6392 
-   31500         3.15  0.076457292    1020.7582     268.2573   -13.386937    8.6340694   -1076.2733   -1067.6392 
-   31550        3.155  0.076457309    996.86817    262.55532   -13.414409    8.4505467   -1076.0898   -1067.6392 
-   31600         3.16  0.076457265     988.4472    253.14804    -13.44617    8.1477662    -1075.787   -1067.6392 
-   31650        3.165   0.07645717    975.20678     241.3533   -13.472839    7.7681433   -1075.4074   -1067.6392 
-   31700         3.17  0.076457122    978.08946    230.12225   -13.489241    7.4066632   -1075.0459   -1067.6392 
-   31750        3.175  0.076457159     994.1906    223.24272     -13.4961    7.1852402   -1074.8245   -1067.6392 
-   31800         3.18  0.076457198    1011.9808    223.61603   -13.502125    7.1972556   -1074.8365   -1067.6392 
-   31850        3.185  0.076457197    1043.2929    231.32793   -13.514524    7.4454691   -1075.0847   -1067.6392 
-   31900         3.19  0.076457211    1073.2125    243.48614   -13.529663    7.8367904    -1075.476   -1067.6392 
-   31950        3.195  0.076457283     1089.512    255.96547   -13.531619    8.2384474   -1075.8777   -1067.6392 
-   32000          3.2  0.076457346    1091.1766    265.64481   -13.515072    8.5499844   -1076.1892   -1067.6392 
-   32050        3.205  0.076457238    1107.4466    271.60773   -13.502747    8.7419056   -1076.3811   -1067.6392 
-   32100         3.21  0.076457153    1117.8805    274.08365    -13.50656    8.8215948   -1076.4608   -1067.6392 
-   32150        3.215  0.076457122    1123.2092    273.86962   -13.522054    8.8147064   -1076.4539   -1067.6392 
-   32200         3.22  0.076457105    1152.6197    271.95614   -13.543888    8.7531194   -1076.3924   -1067.6392 
-   32250        3.225  0.076457164    1168.3769    268.86435   -13.563301    8.6536078   -1076.2928   -1067.6392 
-   32300         3.23  0.076457237    1158.6589    265.10575   -13.580865    8.5326342   -1076.1719   -1067.6392 
-   32350        3.235  0.076457159    1152.9881    261.29815   -13.605255    8.4100836   -1076.0493   -1067.6392 
-   32400         3.24   0.07645703    1164.2634    257.27542   -13.625646     8.280609   -1075.9198   -1067.6392 
-   32450        3.245  0.076457057    1173.0337    252.87376   -13.637472    8.1389381   -1075.7782   -1067.6392 
-   32500         3.25  0.076457171    1170.4615    248.34575   -13.651248    7.9932007   -1075.6324   -1067.6392 
-   32550        3.255  0.076457164    1172.6715    244.01198   -13.667945    7.8537149   -1075.4929   -1067.6392 
-   32600         3.26  0.076457072    1178.0602    240.61161   -13.683594    7.7442715   -1075.3835   -1067.6392 
-   32650        3.265  0.076457132    1164.2276    239.08635   -13.693266    7.6951799   -1075.3344   -1067.6392 
-   32700         3.27   0.07645721    1135.6536      239.997   -13.697188    7.7244896   -1075.3637   -1067.6392 
-   32750        3.275   0.07645717    1122.6725    242.77278   -13.697307    7.8138302   -1075.4531   -1067.6392 
-   32800         3.28  0.076457087    1124.7984    246.08264   -13.698507    7.9203608   -1075.5596   -1067.6392 
-   32850        3.285  0.076457071    1132.9874     248.8912    -13.71026    8.0107565     -1075.65   -1067.6392 
-   32900         3.29  0.076457146    1144.7957    250.92712   -13.736297    8.0762841   -1075.7155   -1067.6392 
-   32950        3.295   0.07645721    1152.7642    252.46291   -13.764351    8.1257148   -1075.7649   -1067.6392 
-   33000          3.3  0.076457168    1146.2857    254.10358   -13.779597    8.1785209   -1075.8178   -1067.6392 
-   33050        3.305  0.076457077    1145.5084     256.8303   -13.789612    8.2662826   -1075.9055   -1067.6392 
-   33100         3.31  0.076457096    1154.4041    261.13865   -13.808552      8.40495   -1076.0442   -1067.6392 
-   33150        3.315   0.07645715    1125.5641     266.3904   -13.833889    8.5739819   -1076.2132   -1067.6392 
-   33200         3.32   0.07645715    1093.2946     271.0557   -13.855364     8.724138   -1076.3634   -1067.6392 
-   33250        3.325  0.076457145    1095.5775    273.48025   -13.872191    8.8021741   -1076.4414   -1067.6392 
-   33300         3.33  0.076457162    1100.9708    272.81497   -13.884719    8.7807615     -1076.42   -1067.6392 
-   33350        3.335   0.07645717     1097.446    269.39464   -13.884534    8.6706755   -1076.3099   -1067.6392 
-   33400         3.34  0.076457107    1081.3925    264.90836   -13.877973    8.5262812   -1076.1655   -1067.6392 
-   33450        3.345  0.076457118    1078.1638    261.34438   -13.882973    8.4115716   -1076.0508   -1067.6392 
-   33500         3.35  0.076457263    1098.4302    259.43885   -13.901235    8.3502409   -1075.9895   -1067.6392 
-   33550        3.355    0.0764573     1113.653    258.79858   -13.925503    8.3296331   -1075.9689   -1067.6392 
-   33600         3.36  0.076457139    1102.1918    258.64576   -13.952352    8.3247147   -1075.9639   -1067.6392 
-   33650        3.365  0.076457044    1079.3943    258.32267   -13.984128    8.3143157   -1075.9535   -1067.6392 
-   33700         3.37  0.076457092    1080.4816     257.3355   -14.022263    8.2825429   -1075.9218   -1067.6392 
-   33750        3.375  0.076457159    1091.9482    255.16753   -14.058006    8.2127649    -1075.852   -1067.6392 
-   33800         3.38  0.076457132    1093.3842     251.7622   -14.081909    8.1031619   -1075.7424   -1067.6392 
-   33850        3.385  0.076457194    1089.6902     248.0965   -14.095869    7.9851785   -1075.6244   -1067.6392 
-   33900         3.39   0.07645727    1096.6474    246.01593   -14.105391    7.9182138   -1075.5574   -1067.6392 
-   33950        3.395  0.076457209     1126.664    247.11823   -14.104952    7.9536921   -1075.5929   -1067.6392 
-   34000          3.4  0.076457164    1147.9196    251.93896   -14.093155    8.1088509   -1075.7481   -1067.6392 
-   34050        3.405  0.076457179    1139.0305    259.69551   -14.085668    8.3585014   -1075.9977   -1067.6392 
-   34100         3.41  0.076457311    1111.5824    268.28371   -14.096523    8.6349193   -1076.2742   -1067.6392 
-   34150        3.415  0.076457318    1093.8889    274.76774   -14.115851    8.8436128   -1076.4828   -1067.6392 
-   34200         3.42  0.076457165     1080.138    277.06119   -14.126901    8.9174293   -1076.5567   -1067.6392 
-   34250        3.425  0.076457126    1068.8702    275.51584   -14.137497     8.867691   -1076.5069   -1067.6392 
-   34300         3.43  0.076457173    1079.0654    272.17988   -14.166544    8.7603208   -1076.3996   -1067.6392 
-   34350        3.435  0.076457237    1097.2929    268.53315   -14.204534    8.6429479   -1076.2822   -1067.6392 
-   34400         3.44  0.076457306    1090.4064    265.24166   -14.230854    8.5370086   -1076.1762   -1067.6392 
-   34450        3.445  0.076457334    1094.1532    263.10158    -14.24558    8.4681285   -1076.1074   -1067.6392 
-   34500         3.45  0.076457326    1091.6462    262.74486   -14.260327    8.4566473   -1076.0959   -1067.6392 
-   34550        3.455  0.076457285    1048.9417    263.68384   -14.279645     8.486869   -1076.1261   -1067.6392 
-   34600         3.46  0.076457322    1035.8659    264.38837   -14.298673     8.509545   -1076.1488   -1067.6392 
-   34650        3.465  0.076457348    1072.1468    263.89728   -14.317443    8.4937389    -1076.133   -1067.6392 
-   34700         3.47  0.076457257    1099.9068     262.7456   -14.336515    8.4566712   -1076.0959   -1067.6392 
-   34750        3.475   0.07645724    1086.8308    262.31079   -14.346872    8.4426763   -1076.0819   -1067.6392 
-   34800         3.48  0.076457278    1063.2908     263.8317   -14.348034     8.491628   -1076.1309   -1067.6392 
-   34850        3.485  0.076457253    1055.3547    267.54832   -14.355638    8.6112503   -1076.2505   -1067.6392 
-   34900         3.49  0.076457295    1035.2728    272.01532   -14.373099    8.7550243   -1076.3943   -1067.6392 
-   34950        3.495  0.076457375     1040.634    275.06802   -14.390413    8.8532777   -1076.4925   -1067.6392 
-   35000          3.5  0.076457344    1063.0087     275.5042   -14.407745    8.8673167   -1076.5065   -1067.6392 
-   35050        3.505  0.076457312    1058.6708    273.65876   -14.433515    8.8079196   -1076.4472   -1067.6392 
-   35100         3.51  0.076457257    1060.8523    271.14098   -14.474773    8.7268829   -1076.3661   -1067.6392 
-   35150        3.515  0.076457289    1067.0827    269.23085   -14.526301    8.6654039   -1076.3046   -1067.6392 
-   35200         3.52   0.07645742    1062.2236    268.14335   -14.573177    8.6304019   -1076.2696   -1067.6392 
-   35250        3.525  0.076457337    1070.5812    267.81607    -14.60424    8.6198681   -1076.2591   -1067.6392 
-   35300         3.53  0.076457217    1072.5143    267.83883   -14.617097    8.6206007   -1076.2598   -1067.6392 
-   35350        3.535  0.076457254    1028.3355    267.52283   -14.622569    8.6104298   -1076.2497   -1067.6392 
-   35400         3.54  0.076457305    1002.1085    266.59937   -14.633762    8.5807077   -1076.2199   -1067.6392 
-   35450        3.545  0.076457409     1029.413    265.25698   -14.649797    8.5375018   -1076.1767   -1067.6392 
-   35500         3.55  0.076457478    1063.6674    263.65567   -14.671113    8.4859625   -1076.1252   -1067.6392 
-   35550        3.555  0.076457385    1064.2389    261.55993   -14.712306    8.4185094   -1076.0577   -1067.6392 
-   35600         3.56  0.076457248     1043.973    258.13746   -14.765767    8.3083544   -1075.9476   -1067.6392 
-   35650        3.565  0.076457197    1018.5052    253.81996   -14.810087    8.1693925   -1075.8086   -1067.6392 
-   35700         3.57  0.076457358    1000.6206    251.22894   -14.843694    8.0859983   -1075.7252   -1067.6392 
-   35750        3.575  0.076457447    1017.4159    252.90054   -14.876657       8.1398    -1075.779   -1067.6392 
-   35800         3.58  0.076457294    1047.8317    258.96411   -14.909538    8.3349608   -1075.9742   -1067.6392 
-   35850        3.585  0.076457191    1082.9886    267.72357   -14.939208    8.6168909   -1076.2561   -1067.6392 
-   35900         3.59  0.076457278    1100.5702    277.23543   -14.962644    8.9230375   -1076.5623   -1067.6392 
-   35950        3.595  0.076457309     1086.933    285.96591   -14.977753    9.2040346   -1076.8433   -1067.6392 
-   36000          3.6  0.076457255    1074.2647     292.9362   -14.987968     9.428379   -1077.0676   -1067.6392 
-   36050        3.605   0.07645718    1055.2238    298.01121   -14.998446    9.5917221    -1077.231   -1067.6392 
-   36100         3.61  0.076457233    1047.2166    302.00821   -15.020568    9.7203687   -1077.3596   -1067.6392 
-   36150        3.615  0.076457349    1052.6407    305.28298   -15.059957    9.8257696    -1077.465   -1067.6392 
-   36200         3.62  0.076457311    1060.7211    306.93482    -15.10603    9.8789354   -1077.5182   -1067.6392 
-   36250        3.625  0.076457193    1068.8892    305.84803   -15.141949    9.8439561   -1077.4832   -1067.6392 
-   36300         3.63  0.076457194    1061.6868    301.87989    -15.16629    9.7162384   -1077.3555   -1067.6392 
-   36350        3.635  0.076457258    1057.9527     295.4431   -15.185933    9.5090656   -1077.1483   -1067.6392 
-   36400         3.64  0.076457264    1064.3799    287.24818   -15.203507    9.2453055   -1076.8845   -1067.6392 
-   36450        3.645  0.076457194    1063.7064    278.74515   -15.224498    8.9716288   -1076.6109   -1067.6392 
-   36500         3.65  0.076457136    1061.3588    271.32268     -15.2455     8.732731    -1076.372   -1067.6392 
-   36550        3.655  0.076457182    1067.1517    265.76761   -15.260325    8.5539369   -1076.1932   -1067.6392 
-   36600         3.66   0.07645727    1089.9772    261.85411   -15.267562    8.4279778   -1076.0672   -1067.6392 
-   36650        3.665  0.076457221     1104.789     258.4444   -15.265264    8.3182336   -1075.9575   -1067.6392 
-   36700         3.67   0.07645716    1092.8435    255.00082    -15.25529    8.2073992   -1075.8466   -1067.6392 
-   36750        3.675  0.076457168    1061.6595     252.8329   -15.247428    8.1376232   -1075.7769   -1067.6392 
-   36800         3.68  0.076457215    1035.3281    254.03876   -15.243457    8.1764346   -1075.8157   -1067.6392 
-   36850        3.685  0.076457264    1012.6747    259.66792   -15.232713    8.3576136   -1075.9968   -1067.6392 
-   36900         3.69   0.07645721    1000.1165    269.04132   -15.219475    8.6593036   -1076.2985   -1067.6392 
-   36950        3.695  0.076457158    1004.3738     279.5229   -15.222136    8.9966614   -1076.6359   -1067.6392 
-   37000          3.7  0.076457194    1015.0789    287.52665   -15.242557    9.2542684   -1076.8935   -1067.6392 
-   37050        3.705  0.076457209    1006.6001    291.33936   -15.269368    9.3769835   -1077.0162   -1067.6392 
-   37100         3.71  0.076457215    1009.5254    292.25598   -15.292099    9.4064856   -1077.0457   -1067.6392 
-   37150        3.715  0.076457221    1035.7983     292.7155   -15.306557    9.4212757   -1077.0605   -1067.6392 
-   37200         3.72  0.076457114    1030.9374    293.77202   -15.308274    9.4552805   -1077.0945   -1067.6392 
-   37250        3.725  0.076457028    982.50822     295.2423   -15.305932    9.5026027   -1077.1418   -1067.6392 
-   37300         3.73  0.076457035    948.55083    296.17303   -15.311999    9.5325589   -1077.1718   -1067.6392 
-   37350        3.735  0.076457098    937.47027    295.49824   -15.335364    9.5108401   -1077.1501   -1067.6392 
-   37400         3.74  0.076457181    936.77662    292.98591   -15.385092     9.429979   -1077.0692   -1067.6392 
-   37450        3.745  0.076457164    937.43311    288.88554    -15.44922    9.2980054   -1076.9372   -1067.6392 
-   37500         3.75  0.076457095    942.75677     284.1287   -15.497475    9.1449027   -1076.7841   -1067.6392 
-   37550        3.755  0.076457051    973.14442    280.71281   -15.516447    9.0349597   -1076.6742   -1067.6392 
-   37600         3.76  0.076457064    1023.9535    280.23051   -15.517936    9.0194364   -1076.6587   -1067.6392 
-   37650        3.765  0.076457028    1061.1038    282.66393   -15.519455    9.0977579    -1076.737   -1067.6392 
-   37700         3.77  0.076457072    1070.7829    287.04664   -15.525411    9.2388189   -1076.8781   -1067.6392 
-   37750        3.775  0.076457124    1066.3938    291.68394   -15.520525     9.388074   -1077.0273   -1067.6392 
-   37800         3.78  0.076457071    1048.9796    294.14399   -15.497921    9.4672528   -1077.1065   -1067.6392 
-   37850        3.785  0.076457038    1038.2533    292.47043   -15.480179    9.4133879   -1077.0526   -1067.6392 
-   37900         3.79  0.076457018     1045.648    286.41439   -15.491193    9.2184695   -1076.8577   -1067.6392 
-   37950        3.795  0.076457122    1065.9631    277.89366   -15.523881    8.9442232   -1076.5835   -1067.6392 
-   38000          3.8   0.07645714    1090.5261    270.72264   -15.554861    8.7134183   -1076.3526   -1067.6392 
-   38050        3.805  0.076457032    1113.2307    268.45698   -15.575531    8.6404964   -1076.2797   -1067.6392 
-   38100         3.81  0.076457024    1116.2952    271.45106   -15.582548    8.7368631   -1076.3761   -1067.6392 
-   38150        3.815   0.07645699    1093.8664    277.51108   -15.573712    8.9319094   -1076.5711   -1067.6392 
-   38200         3.82  0.076456911     1051.845    284.62475    -15.56289    9.1608685   -1076.8001   -1067.6392 
-   38250        3.825  0.076456883    1005.6732    291.31425   -15.566443    9.3761751   -1077.0154   -1067.6392 
-   38300         3.83  0.076456909    998.58464    295.80008   -15.577737    9.5205551   -1077.1598   -1067.6392 
-   38350        3.835  0.076456917    1023.8255    296.91935    -15.58617    9.5565797   -1077.1958   -1067.6392 
-   38400         3.84  0.076457007    1038.0022     294.9054   -15.596528    9.4917592    -1077.131   -1067.6392 
-   38450        3.845  0.076457031    1037.6121    290.96422   -15.616202    9.3649092   -1077.0041   -1067.6392 
-   38500         3.85  0.076456984    1040.5904    286.88024   -15.646786    9.2334631   -1076.8727   -1067.6392 
-   38550        3.855  0.076456918    1043.2321    284.56473   -15.689543    9.1589367   -1076.7982   -1067.6392 
-   38600         3.86  0.076456877    1038.0862    284.74376   -15.739663    9.1646989   -1076.8039   -1067.6392 
-   38650        3.865  0.076456988    1038.4376    285.95011   -15.776018    9.2035262   -1076.8428   -1067.6392 
-   38700         3.87  0.076457066    1046.7517    286.45113   -15.793545    9.2196518   -1076.8589   -1067.6392 
-   38750        3.875  0.076457085    1069.8363     286.1605   -15.809275    9.2102978   -1076.8495   -1067.6392 
-   38800         3.88  0.076457103    1099.7649    286.35508   -15.838882    9.2165605   -1076.8558   -1067.6392 
-   38850        3.885  0.076457029    1113.9425    288.09011   -15.885059    9.2724039   -1076.9116   -1067.6392 
-   38900         3.89  0.076457017    1105.7043    290.97132   -15.928294    9.3651376   -1077.0044   -1067.6392 
-   38950        3.895  0.076456995    1093.6515    294.07778   -15.945379    9.4651215   -1077.1044   -1067.6392 
-   39000          3.9   0.07645694    1103.4477     297.5125   -15.943567    9.5756706   -1077.2149   -1067.6392 
-   39050        3.905  0.076457006    1109.1277    301.82187   -15.951259    9.7143712   -1077.3536   -1067.6392 
-   39100         3.91  0.076456969    1114.3237    306.51524   -15.985628     9.865431   -1077.5047   -1067.6392 
-   39150        3.915  0.076456912    1114.4623    309.57518   -16.034747    9.9639174   -1077.6032   -1067.6392 
-   39200         3.92   0.07645697    1087.5299    308.28093   -16.061177    9.9222609   -1077.5615   -1067.6392 
-   39250        3.925  0.076457004    1085.9492    302.29555   -16.058242    9.7296168   -1077.3688   -1067.6392 
-   39300         3.93  0.076456952    1107.8421    294.53188   -16.053056    9.4797371    -1077.119   -1067.6392 
-   39350        3.935  0.076456973    1124.1513    288.15688   -16.067119    9.2745528   -1076.9138   -1067.6392 
-   39400         3.94  0.076457054    1137.2475    283.95115   -16.101525    9.1391882   -1076.7784   -1067.6392 
-   39450        3.945   0.07645698    1135.1662    281.54817   -16.141252    9.0618462   -1076.7011   -1067.6392 
-   39500         3.95  0.076456838    1099.0721    281.13694   -16.174509    9.0486105   -1076.6878   -1067.6392 
-   39550        3.955  0.076456882    1049.5257    282.67803   -16.205325    9.0982117   -1076.7374   -1067.6392 
-   39600         3.96  0.076457011    1027.3757    284.94192   -16.234406    9.1710768   -1076.8103   -1067.6392 
-   39650        3.965  0.076456971     1017.794    286.75472   -16.252188    9.2294233   -1076.8687   -1067.6392 
-   39700         3.97  0.076456888    1007.7805    288.56666    -16.25612    9.2877419    -1076.927   -1067.6392 
-   39750        3.975  0.076456865    1012.8541    292.07722   -16.261884    9.4007319     -1077.04   -1067.6392 
-   39800         3.98  0.076456816    1043.1577    297.78139   -16.277698     9.584325   -1077.2236   -1067.6392 
-   39850        3.985  0.076456836    1077.8248    304.26971   -16.297835    9.7931567   -1077.4324   -1067.6392 
-   39900         3.99   0.07645687    1094.0855    309.71669   -16.325371    9.9684719   -1077.6077   -1067.6392 
-   39950        3.995  0.076456883    1064.1015    312.41437   -16.358615    10.055299   -1077.6945   -1067.6392 
-   40000            4  0.076456877    1022.9431    310.99163   -16.375546    10.009507   -1077.6487   -1067.6392 
-   40050        4.005  0.076456756    1013.7056    306.64402   -16.373477    9.8695757   -1077.5088   -1067.6392 
-   40100         4.01  0.076456759    1007.6913    303.35311   -16.376022    9.7636554   -1077.4029   -1067.6392 
-   40150        4.015  0.076456864     1004.252    303.81576   -16.385329    9.7785462   -1077.4178   -1067.6392 
-   40200         4.02  0.076456912    1013.1412    307.22942   -16.384285    9.8884172   -1077.5276   -1067.6392 
-   40250        4.025  0.076456867    1030.3871    310.68562   -16.369477    9.9996578   -1077.6389   -1067.6392 
-   40300         4.03  0.076456789    1034.7373    311.09098   -16.352628    10.012705   -1077.6519   -1067.6392 
-   40350        4.035  0.076456729    1033.1387    307.52717   -16.345575    9.8980007   -1077.5372   -1067.6392 
-   40400         4.04   0.07645669    1062.9045    301.64635   -16.348471     9.708722    -1077.348   -1067.6392 
-   40450        4.045  0.076456729    1073.8352    295.54356   -16.354824    9.5122988   -1077.1515   -1067.6392 
-   40500         4.05  0.076456875    1045.0985    290.52511    -16.36464    9.3507761     -1076.99   -1067.6392 
-   40550        4.055  0.076456839    1027.9258    287.44019   -16.379541    9.2514857   -1076.8907   -1067.6392 
-   40600         4.06  0.076456646    1031.5216    286.57721   -16.388491      9.22371   -1076.8629   -1067.6392 
-   40650        4.065  0.076456606    1055.0251    287.81611   -16.386366    9.2635847   -1076.9028   -1067.6392 
-   40700         4.07  0.076456834    1081.6077    290.98909   -16.384202    9.3657097   -1077.0049   -1067.6392 
-   40750        4.075  0.076457031    1095.8624    295.35171   -16.381535    9.5061241   -1077.1454   -1067.6392 
-   40800         4.08  0.076456927    1091.1884    299.74612   -16.369379    9.6475614   -1077.2868   -1067.6392 
-   40850        4.085  0.076456677    1072.8108    303.12714   -16.353468    9.7563823   -1077.3956   -1067.6392 
-   40900         4.09  0.076456612    1071.4265    304.47082   -16.345218    9.7996295   -1077.4389   -1067.6392 
-   40950        4.095  0.076456759    1087.5691    303.62065   -16.343756    9.7722663   -1077.4115   -1067.6392 
-   41000          4.1   0.07645689    1093.1572    302.41466   -16.342931    9.7334506   -1077.3727   -1067.6392 
-   41050        4.105  0.076456787    1077.0283    303.03079   -16.350207    9.7532811   -1077.3925   -1067.6392 
-   41100         4.11    0.0764566    1063.8174    304.59541     -16.3659    9.8036396   -1077.4429   -1067.6392 
-   41150        4.115  0.076456666    1067.2044    305.05378   -16.383874    9.8183927   -1077.4576   -1067.6392 
-   41200         4.12  0.076456794    1067.5418    304.12177   -16.408325    9.7883952   -1077.4276   -1067.6392 
-   41250        4.125  0.076456816    1047.1076    301.87307   -16.437615     9.716019   -1077.3553   -1067.6392 
-   41300         4.13  0.076456766    1000.8676    298.01778   -16.464716    9.5919337   -1077.2312   -1067.6392 
-   41350        4.135  0.076456687    958.82868    293.49143   -16.485682    9.4462495   -1077.0855   -1067.6392 
-   41400         4.14  0.076456739    951.84883    290.80384   -16.499012    9.3597472    -1076.999   -1067.6392 
-   41450        4.145  0.076456812    963.65591    292.08601   -16.507392    9.4010149   -1077.0402   -1067.6392 
-   41500         4.15  0.076456843    975.72148    297.16323   -16.520849    9.5644292   -1077.2037   -1067.6392 
-   41550        4.155  0.076456845    984.53332    303.16542    -16.53794    9.7576142   -1077.3968   -1067.6392 
-   41600         4.16  0.076456751    985.80319    307.28815   -16.557303    9.8903077   -1077.5295   -1067.6392 
-   41650        4.165  0.076456683    1002.2286    308.88612   -16.587168    9.9417395    -1077.581   -1067.6392 
-   41700         4.17  0.076456643    1030.6323    308.39988   -16.625508    9.9260895   -1077.5653   -1067.6392 
-   41750        4.175   0.07645661    1034.2586    306.29955   -16.665355    9.8584887   -1077.4977   -1067.6392 
-   41800         4.18  0.076456559    1020.0175    303.06426   -16.703335    9.7543583   -1077.3936   -1067.6392 
-   41850        4.185  0.076456676    991.59829    299.14498   -16.725328    9.6282135   -1077.2674   -1067.6392 
-   41900         4.19  0.076456761    967.85853    296.19757   -16.730689    9.5333487   -1077.1726   -1067.6392 
-   41950        4.195  0.076456701    975.82892    296.71617   -16.740926    9.5500402   -1077.1893   -1067.6392 
-   42000          4.2  0.076456713    1002.2491    300.92024   -16.770609    9.6853516   -1077.3246   -1067.6392 
-   42050        4.205  0.076456664    1009.6687    305.97966   -16.813995    9.8481928   -1077.4874   -1067.6392 
-   42100         4.21  0.076456626    1003.7314    309.08496   -16.851376    9.9481394   -1077.5874   -1067.6392 
-   42150        4.215  0.076456675    1009.5258     310.0374   -16.864204    9.9787942    -1077.618   -1067.6392 
-   42200         4.22  0.076456733    1016.8827     310.8272    -16.85494    10.004215   -1077.6434   -1067.6392 
-   42250        4.225  0.076456828      1023.91    312.80966   -16.842511    10.068022   -1077.7073   -1067.6392 
-   42300         4.23  0.076456807    1019.5709    315.15173   -16.836523    10.143403   -1077.7826   -1067.6392 
-   42350        4.235  0.076456685    1017.6755    316.23931   -16.830978    10.178408   -1077.8176   -1067.6392 
-   42400         4.24  0.076456572    1035.9763    314.95382   -16.817532    10.137033   -1077.7763   -1067.6392 
-   42450        4.245  0.076456544     1057.572    310.93678   -16.799682    10.007741    -1077.647   -1067.6392 
-   42500         4.25  0.076456618    1077.1806    305.03796   -16.792574    9.8178834   -1077.4571   -1067.6392 
-   42550        4.255  0.076456744    1090.5444     299.3483   -16.809848    9.6347572    -1077.274   -1067.6392 
-   42600         4.26  0.076456726     1096.922    295.41747   -16.837401    9.5082406   -1077.1475   -1067.6392 
-   42650        4.265  0.076456617    1103.2531    293.46673   -16.859813    9.4454545   -1077.0847   -1067.6392 
-   42700         4.27  0.076456587    1104.4238    293.26317   -16.892288    9.4389029   -1077.0781   -1067.6392 
-   42750        4.275  0.076456665    1083.3823    294.65311   -16.933936    9.4836391   -1077.1229   -1067.6392 
-   42800         4.28  0.076456664    1042.3438    298.70068   -16.959665    9.6139133   -1077.2531   -1067.6392 
-   42850        4.285  0.076456687    1013.4416    306.95616   -16.966168    9.8796223   -1077.5189   -1067.6392 
-   42900         4.29  0.076456725    1011.1467    318.14544    -16.97008    10.239758    -1077.879   -1067.6392 
-   42950        4.295  0.076456665    1017.4449    328.03985   -16.982627    10.558217   -1078.1975   -1067.6392 
-   43000          4.3  0.076456617    1019.3575    333.03871   -17.008768    10.719109   -1078.3583   -1067.6392 
-   43050        4.305  0.076456693     999.2679    332.30906   -17.055549    10.695625   -1078.3349   -1067.6392 
-   43100         4.31  0.076456762     967.7236    326.28709   -17.109853    10.501803    -1078.141   -1067.6392 
-   43150        4.315  0.076456687    976.16726    316.29296   -17.144504    10.180134   -1077.8194   -1067.6392 
-   43200         4.32  0.076456692    1009.9146    306.30886   -17.155114    9.8587883    -1077.498   -1067.6392 
-   43250        4.325  0.076456822    1011.5832    301.46146   -17.160687    9.7027711    -1077.342   -1067.6392 
-   43300         4.33  0.076456891    993.25245    303.09136   -17.173125    9.7552307   -1077.3945   -1067.6392 
-   43350        4.335  0.076456691     978.1423    307.90834   -17.186565     9.910269   -1077.5495   -1067.6392 
-   43400         4.34   0.07645663     966.7299    311.62095   -17.191657    10.029762    -1077.669   -1067.6392 
-   43450        4.345  0.076456883    971.37208    311.68351   -17.189726    10.031776    -1077.671   -1067.6392 
-   43500         4.35  0.076456994    978.85437    307.94316   -17.193481    9.9113896   -1077.5506   -1067.6392 
-   43550        4.355  0.076456767    996.27549    302.13712   -17.211228    9.7245177   -1077.3637   -1067.6392 
-   43600         4.36  0.076456685    1016.7792     297.0799   -17.235609    9.5617472    -1077.201   -1067.6392 
-   43650        4.365  0.076456862    1020.5319    294.98379   -17.245695    9.4942822   -1077.1335   -1067.6392 
-   43700         4.37  0.076456832    1016.3483    296.10415   -17.238216     9.530342   -1077.1696   -1067.6392 
-   43750        4.375  0.076456643    1012.7306    299.25575   -17.241809    9.6317786    -1077.271   -1067.6392 
-   43800         4.38  0.076456789    1005.3285    303.54214   -17.262691    9.7697394    -1077.409   -1067.6392 
-   43850        4.385  0.076456982    1003.3326    310.06269   -17.281251    9.9796085   -1077.6188   -1067.6392 
-   43900         4.39  0.076456965    987.54044    320.52249   -17.299417    10.316265   -1077.9555   -1067.6392 
-   43950        4.395  0.076456761     963.2584    333.20523   -17.330466    10.724469   -1078.3637   -1067.6392 
-   44000          4.4  0.076456706    963.73639    342.88698   -17.367857    11.036084   -1078.6753   -1067.6392 
-   44050        4.405  0.076456821    986.80537    345.16932   -17.395458    11.109542   -1078.7488   -1067.6392 
-   44100         4.41  0.076456831    1009.8445    339.67355    -17.41311    10.932657   -1078.5719   -1067.6392 
-   44150        4.415  0.076456785    1014.6601    330.05625   -17.436389    10.623116   -1078.2623   -1067.6392 
-   44200         4.42  0.076456797    984.52199     321.8216    -17.48274    10.358078   -1077.9973   -1067.6392 
-   44250        4.425  0.076456753    957.80787    317.33913    -17.54731    10.213806    -1077.853   -1067.6392 
-   44300         4.43  0.076456643    940.00066    314.53772   -17.596853    10.123641   -1077.7629   -1067.6392 
-   44350        4.435  0.076456628     918.4875    312.37225   -17.612235    10.053943   -1077.6932   -1067.6392 
-   44400         4.44   0.07645672    913.57846     310.8786   -17.595301    10.005869   -1077.6451   -1067.6392 
-   44450        4.445  0.076456761     919.4865    309.82858   -17.561225    9.9720734   -1077.6113   -1067.6392 
-   44500         4.45   0.07645674     926.5393    309.78037   -17.534259    9.9705218   -1077.6097   -1067.6392 
-   44550        4.455  0.076456708    929.10063    311.77335   -17.538056    10.034667   -1077.6739   -1067.6392 
-   44600         4.46  0.076456694    933.10594    315.21765   -17.566473    10.145525   -1077.7848   -1067.6392 
-   44650        4.465  0.076456702    926.71966    318.06782   -17.591174     10.23726   -1077.8765   -1067.6392 
-   44700         4.47  0.076456707    911.59951    319.12218   -17.602472    10.271195   -1077.9104   -1067.6392 
-   44750        4.475  0.076456688    910.70606     318.9204   -17.609049    10.264701   -1077.9039   -1067.6392 
-   44800         4.48    0.0764567    905.05917    318.54255   -17.616129    10.252539   -1077.8918   -1067.6392 
-   44850        4.485  0.076456621    894.49408    318.42782   -17.623448    10.248847   -1077.8881   -1067.6392 
-   44900         4.49  0.076456517     906.7452    318.55777   -17.630547    10.253029   -1077.8923   -1067.6392 
-   44950        4.495  0.076456564     912.1438    318.94548   -17.639597    10.265508   -1077.9047   -1067.6392 
-   45000          4.5  0.076456621    904.16689     319.6676   -17.650569     10.28875    -1077.928   -1067.6392 
-   45050        4.505  0.076456591    906.29138    321.41748   -17.664978    10.345071   -1077.9843   -1067.6392 
-   45100         4.51  0.076456544    905.96789    325.06187   -17.678666    10.462369   -1078.1016   -1067.6392 
-   45150        4.515  0.076456576    898.50939    330.26103   -17.687185    10.629708   -1078.2689   -1067.6392 
-   45200         4.52  0.076456663    905.35412    334.94433   -17.701241    10.780443   -1078.4197   -1067.6392 
-   45250        4.525   0.07645673    930.80225    336.07069    -17.72859    10.816696   -1078.4559   -1067.6392 
-   45300         4.53  0.076456595     959.3922     331.6008   -17.765016    10.672829   -1078.3121   -1067.6392 
-   45350        4.535  0.076456568    984.36318    321.62814   -17.802524    10.351851   -1077.9911   -1067.6392 
-   45400         4.54   0.07645668    990.20053     308.8639   -17.836056    9.9410245   -1077.5803   -1067.6392 
-   45450        4.545  0.076456648    947.25396    298.78614   -17.865782    9.6166638   -1077.2559   -1067.6392 
-   45500         4.55  0.076456577    910.56022    297.55292   -17.905424    9.5769716   -1077.2162   -1067.6392 
-   45550        4.555  0.076456563    888.63811    306.74089   -17.960609    9.8726936   -1077.5119   -1067.6392 
-   45600         4.56  0.076456599    859.98987    321.07118   -18.005145    10.333925   -1077.9732   -1067.6392 
-   45650        4.565  0.076456612    856.19145    333.40125   -18.019594    10.730778     -1078.37   -1067.6392 
-   45700         4.57  0.076456557    878.62104    340.06144   -18.020894    10.945141   -1078.5844   -1067.6392 
-   45750        4.575  0.076456566    897.45139    340.97037   -18.029395    10.974396   -1078.6136   -1067.6392 
-   45800         4.58  0.076456592    900.06632    337.73275   -18.042178    10.870191   -1078.5094   -1067.6392 
-   45850        4.585  0.076456653    905.65224    333.13083   -18.060834    10.722074   -1078.3613   -1067.6392 
-   45900         4.59  0.076456731    911.50958    329.86483    -18.10231    10.616955   -1078.2562   -1067.6392 
-   45950        4.595  0.076456674    934.98117    327.78934   -18.158233    10.550154   -1078.1894   -1067.6392 
-   46000          4.6  0.076456573    960.91441    324.26975   -18.195778    10.436874   -1078.0761   -1067.6392 
-   46050        4.605  0.076456596    962.59058     317.8452   -18.203481    10.230095   -1077.8693   -1067.6392 
-   46100         4.61  0.076456671    960.19967    310.62901   -18.213042    9.9978359   -1077.6371   -1067.6392 
-   46150        4.615  0.076456686    958.71855    305.95972   -18.235837    9.8475511   -1077.4868   -1067.6392 
-   46200         4.62  0.076456612    966.32277     305.9278    -18.25351    9.8465235   -1077.4858   -1067.6392 
-   46250        4.625  0.076456484    976.33095    310.79103   -18.261143     10.00305   -1077.6423   -1067.6392 
-   46300         4.63  0.076456455     971.1525    319.21516   -18.262509    10.274188   -1077.9134   -1067.6392 
-   46350        4.635  0.076456555    942.98388      329.128   -18.258965     10.59324   -1078.2325   -1067.6392 
-   46400         4.64   0.07645659    931.95574    338.94782   -18.258301    10.909299   -1078.5485   -1067.6392 
-   46450        4.645  0.076456634    952.04764    347.69672   -18.270432    11.190889   -1078.8301   -1067.6392 
-   46500         4.65  0.076456695    954.27972    354.28335   -18.291901    11.402884   -1079.0421   -1067.6392 
-   46550        4.655  0.076456718    932.47699    357.80024   -18.314064    11.516078   -1079.1553   -1067.6392 
-   46600         4.66  0.076456571    917.15783      358.255    -18.33944    11.530715   -1079.1699   -1067.6392 
-   46650        4.665  0.076456487    914.53778    356.10608   -18.373204     11.46155   -1079.1008   -1067.6392 
-   46700         4.67   0.07645664    926.29271    351.32545   -18.410415    11.307682   -1078.9469   -1067.6392 
-   46750        4.675  0.076456722    955.90982    343.62423   -18.443075    11.059813    -1078.699   -1067.6392 
-   46800         4.68  0.076456662    968.52074    333.76849   -18.472665    10.742598   -1078.3818   -1067.6392 
-   46850        4.685  0.076456611    960.55547    323.74847   -18.502955    10.420096   -1078.0593   -1067.6392 
-   46900         4.69   0.07645658    969.48482    315.29249   -18.530555    10.147933   -1077.7872   -1067.6392 
-   46950        4.695  0.076456538    970.41435    309.50703   -18.552649    9.9617239    -1077.601   -1067.6392 
-   47000          4.7  0.076456607     973.5826    307.27705   -18.562429    9.8899503   -1077.5292   -1067.6392 
-   47050        4.705  0.076456741    971.31274    309.44374   -18.561975    9.9596868   -1077.5989   -1067.6392 
-   47100         4.71  0.076456567    974.56171    315.87966   -18.571858    10.166832   -1077.8061   -1067.6392 
-   47150        4.715  0.076456487      989.886     324.3948    -18.59552    10.440899   -1078.0801   -1067.6392 
-   47200         4.72  0.076456752    991.34022    333.02825   -18.624859    10.718773    -1078.358   -1067.6392 
-   47250        4.725  0.076456811    982.33055    341.27988   -18.652892    10.984358   -1078.6236   -1067.6392 
-   47300         4.73  0.076456654    969.07699    348.54206   -18.671538    11.218097   -1078.8573   -1067.6392 
-   47350        4.735  0.076456603    950.49208    353.80509   -18.681778    11.387491   -1079.0267   -1067.6392 
-   47400         4.74  0.076456655    932.53448    356.59027   -18.691148    11.477134   -1079.1164   -1067.6392 
-   47450        4.745   0.07645674    914.98082    356.88075   -18.707177    11.486484   -1079.1257   -1067.6392 
-   47500         4.75  0.076456846    910.29391    354.25323   -18.733572    11.401915   -1079.0411   -1067.6392 
-   47550        4.755  0.076456842    911.79249    348.56319   -18.768858    11.218777    -1078.858   -1067.6392 
-   47600         4.76  0.076456764    896.25715    341.13087   -18.817172    10.979562   -1078.6188   -1067.6392 
-   47650        4.765  0.076456752    893.56376    333.65355   -18.869281    10.738898   -1078.3781   -1067.6392 
-   47700         4.77  0.076456851    923.22366    328.05385   -18.908457    10.558668   -1078.1979   -1067.6392 
-   47750        4.775  0.076456872    942.84866    326.28411   -18.929889    10.501707   -1078.1409   -1067.6392 
-   47800         4.78  0.076456844    930.32583    328.44034   -18.932985    10.571107   -1078.2103   -1067.6392 
-   47850        4.785  0.076456902    912.36756    332.89004   -18.922464    10.714324   -1078.3536   -1067.6392 
-   47900         4.79  0.076456964    916.62133    338.11673   -18.919206    10.882549   -1078.5218   -1067.6392 
-   47950        4.795  0.076457014    930.75246    342.30195   -18.922007    11.017254   -1078.6565   -1067.6392 
-   48000          4.8  0.076457014    936.01421    343.78811   -18.908628    11.065087   -1078.7043   -1067.6392 
-   48050        4.805  0.076456953    944.54584    342.44511   -18.878537    11.021862   -1078.6611   -1067.6392 
-   48100         4.81  0.076456972    941.98405    339.08691   -18.851545    10.913775    -1078.553   -1067.6392 
-   48150        4.815  0.076456898    920.11331    334.61456   -18.839033    10.769829   -1078.4091   -1067.6392 
-   48200         4.82  0.076456871    907.83719    330.10701   -18.832157     10.62475    -1078.264   -1067.6392 
-   48250        4.825  0.076456918    912.20647    327.58291   -18.826744     10.54351   -1078.1827   -1067.6392 
-   48300         4.83   0.07645699    932.39917    329.24117   -18.830768    10.596882   -1078.2361   -1067.6392 
-   48350        4.835   0.07645701     945.1163     335.0398   -18.840255    10.783516   -1078.4227   -1067.6392 
-   48400         4.84  0.076456836    950.22061    342.35702   -18.841461    11.019026   -1078.6583   -1067.6392 
-   48450        4.845    0.0764567    952.16965    348.50659   -18.834984    11.216955   -1078.8562   -1067.6392 
-   48500         4.85  0.076456712    955.36854    352.21576   -18.825983    11.336338   -1078.9756   -1067.6392 
-   48550        4.855  0.076456801    959.48836    353.76389   -18.820533    11.386165   -1079.0254   -1067.6392 
-   48600         4.86  0.076456823    964.22846    354.04554   -18.822337    11.395231   -1079.0345   -1067.6392 
-   48650        4.865  0.076456815    974.22885    352.93972   -18.818132    11.359639   -1078.9989   -1067.6392 
-   48700         4.87  0.076456877    987.44079    349.70581   -18.807017    11.255553   -1078.8948   -1067.6392 
-   48750        4.875  0.076456856    980.80712    344.37973   -18.808379    11.084129   -1078.7234   -1067.6392 
-   48800         4.88  0.076456847    965.79638    337.63651    -18.81979    10.867093   -1078.5063   -1067.6392 
-   48850        4.885  0.076457001    966.05115     330.7499   -18.830692    10.645442   -1078.2847   -1067.6392 
-   48900         4.89  0.076457069    965.02834    325.77373   -18.849924     10.48528   -1078.1245   -1067.6392 
-   48950        4.895  0.076456805    951.50135    324.61657   -18.890071    10.448036   -1078.0873   -1067.6392 
-   49000          4.9  0.076456678    947.91103    327.27966   -18.934537     10.53375    -1078.173   -1067.6392 
-   49050        4.905  0.076456661    958.11234    332.39046   -18.962498    10.698245   -1078.3375   -1067.6392 
-   49100         4.91  0.076456829    970.05161    338.47836   -18.976168    10.894189   -1078.5334   -1067.6392 
-   49150        4.915   0.07645699    968.15446    343.93729    -18.98603    11.069889   -1078.7091   -1067.6392 
-   49200         4.92  0.076456985    960.59968    346.43043   -18.994109    11.150132   -1078.7894   -1067.6392 
-   49250        4.925  0.076456928    945.53084     343.0733   -18.986613    11.042081   -1078.6813   -1067.6392 
-   49300         4.93  0.076456888    920.51419    333.13647   -18.959986    10.722256   -1078.3615   -1067.6392 
-   49350        4.935  0.076456851    907.35436    320.38291   -18.938752    10.311773    -1077.951   -1067.6392 
-   49400         4.94   0.07645685    893.81547    310.99739   -18.938412    10.009692   -1077.6489   -1067.6392 
-   49450        4.945  0.076456896    870.23823    309.67527    -18.95594    9.9671388   -1077.6064   -1067.6392 
-   49500         4.95  0.076456955    872.77052    317.13999   -18.978605    10.207397   -1077.8466   -1067.6392 
-   49550        4.955  0.076456967    894.83445    330.73629    -18.98876    10.645004   -1078.2842   -1067.6392 
-   49600         4.96  0.076456979     912.1661    346.73247   -18.984428    11.159854   -1078.7991   -1067.6392 
-   49650        4.965  0.076456993    915.70238    361.26297   -18.978545    11.627529   -1079.2668   -1067.6392 
-   49700         4.97  0.076456983    924.58803    370.71298   -18.984487    11.931685   -1079.5709   -1067.6392 
-   49750        4.975  0.076456922    944.17323    372.65166   -18.998747    11.994083   -1079.6333   -1067.6392 
-   49800         4.98  0.076456923    948.92864    367.69228     -19.0113    11.834461   -1079.4737   -1067.6392 
-   49850        4.985  0.076456921    953.93531    359.51215   -19.018592    11.571177   -1079.2104   -1067.6392 
-   49900         4.99  0.076456974    963.60708    351.14054   -19.013112    11.301731    -1078.941   -1067.6392 
-   49950        4.995  0.076456997      970.081    343.67798   -19.003119    11.061543   -1078.7008   -1067.6392 
-   50000            5  0.076457012    1001.2522    337.57276   -19.005327    10.865041   -1078.5043   -1067.6392 
-Loop time of 149.65 on 1 procs for 50000 steps with 250 atoms
-
-Performance: 2.887 ns/day, 8.314 hours/ns, 334.113 timesteps/s
-98.8% CPU use with 1 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 56.939     | 56.939     | 56.939     |   0.0 | 38.05
-Neigh   | 0.65017    | 0.65017    | 0.65017    |   0.0 |  0.43
-Comm    | 1.4958     | 1.4958     | 1.4958     |   0.0 |  1.00
-Output  | 37.503     | 37.503     | 37.503     |   0.0 | 25.06
-Modify  | 52.788     | 52.788     | 52.788     |   0.0 | 35.27
-Other   |            | 0.2742     |            |       |  0.18
-
-Nlocal:    250 ave 250 max 250 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    1335 ave 1335 max 1335 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    7746 ave 7746 max 7746 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  15492 ave 15492 max 15492 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 15492
-Ave neighs/atom = 61.968
-Neighbor list builds = 608
-Dangerous builds = 0
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:02:29
diff --git a/examples/SPIN/iron/log.30Apr19.spin.iron.g++.4 b/examples/SPIN/iron/log.30Apr19.spin.iron.g++.4
deleted file mode 100644
index 6fc3e307f0..0000000000
--- a/examples/SPIN/iron/log.30Apr19.spin.iron.g++.4
+++ /dev/null
@@ -1,1117 +0,0 @@
-LAMMPS (30 Apr 2019)
-  using 1 OpenMP thread(s) per MPI task
-# bcc iron in a 3d periodic box
-
-clear
-  using 1 OpenMP thread(s) per MPI task
-units 		metal
-atom_style 	spin
-
-dimension 	3
-boundary 	p p p
-
-# necessary for the serial algorithm (sametag)
-atom_modify 	map array
-
-lattice 	bcc 2.8665
-Lattice spacing in x,y,z = 2.8665 2.8665 2.8665
-region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
-create_box 	1 box
-Created orthogonal box = (0 0 0) to (14.3325 14.3325 14.3325)
-  1 by 2 by 2 MPI processor grid
-create_atoms 	1 box
-Created 250 atoms
-  create_atoms CPU = 0.00056982 secs
-
-# setting mass, mag. moments, and interactions for bcc iron
-
-mass		1 55.845
-
-set 		group all spin/random 31 2.2
-  250 settings made for spin/random
-velocity 	all create 100 4928459 rot yes dist gaussian
-
-pair_style 	hybrid/overlay eam/alloy spin/exchange 3.5
-pair_coeff 	* * eam/alloy Fe_Mishin2006.eam.alloy Fe
-pair_coeff 	* * spin/exchange exchange 3.4 0.02726 0.2171 1.841
-
-neighbor 	0.1 bin
-neigh_modify 	every 10 check yes delay 20
-
-fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0
-fix 		2 all langevin/spin 0.0 0.0 21
-
-fix 		3 all nve/spin lattice yes
-timestep	0.0001
-
-# compute and output options
-
-compute 	out_mag    all spin
-compute 	out_pe     all pe
-compute 	out_ke     all ke
-compute 	out_temp   all temp
-
-variable 	magz      equal c_out_mag[3]
-variable 	magnorm   equal c_out_mag[4]
-variable 	emag      equal c_out_mag[5]
-variable 	tmag      equal c_out_mag[6]
-
-thermo_style    custom step time v_magnorm v_tmag temp v_emag ke pe etotal
-thermo          50
-
-compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 		100 all custom 1 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
-
-run 		50000
-Neighbor list info ...
-  update every 10 steps, delay 20 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 5.77337
-  ghost atom cutoff = 5.77337
-  binsize = 2.88668, bins = 5 5 5
-  2 neighbor lists, perpetual/occasional/extra = 2 0 0
-  (1) pair eam/alloy, perpetual, half/full from (2)
-      attributes: half, newton on
-      pair build: halffull/newton
-      stencil: none
-      bin: none
-  (2) pair spin/exchange, perpetual
-      attributes: full, newton on
-      pair build: full/bin/atomonly
-      stencil: full/bin/3d
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 7.265 | 7.265 | 7.265 Mbytes
-Step Time v_magnorm v_tmag Temp v_emag KinEng PotEng TotEng 
-       0            0  0.076456975    9109.0924    100.00358  -0.85791269    3.2186929   -1070.8579   -1067.6392 
-      50        0.005  0.076456995    9402.4007    96.298333  -0.85659448    3.0994366   -1070.7387   -1067.6392 
-     100         0.01  0.076457028    9589.1846    86.330828  -0.87003341    2.7786247   -1070.4179   -1067.6392 
-     150        0.015  0.076457074    9673.9268    71.603402  -0.89006992    2.3046111   -1069.9438   -1067.6392 
-     200         0.02  0.076457106    9509.1148    54.648817  -0.91124541    1.7589146   -1069.3981   -1067.6392 
-     250        0.025  0.076457128      9004.27    38.599515  -0.93187522    1.2423553   -1068.8816   -1067.6392 
-     300         0.03  0.076457157    8353.4371    26.383018  -0.95082226    0.8491579   -1068.4884   -1067.6392 
-     350        0.035  0.076457207    7911.1316     20.01039  -0.96826468   0.64404992   -1068.2833   -1067.6392 
-     400         0.04  0.076457243    7775.9492    20.097682  -0.98706373   0.64685949   -1068.2861   -1067.6392 
-     450        0.045  0.076457231    7737.1225    25.687511   -1.0095684   0.82677249    -1068.466   -1067.6392 
-     500         0.05  0.076457204    7676.9809    34.604697   -1.0349855     1.113779    -1068.753   -1067.6392 
-     550        0.055  0.076457196    7550.2809    44.251809   -1.0609123    1.4242788   -1069.0635   -1067.6392 
-     600         0.06  0.076457188    7209.7657    52.475202   -1.0880854    1.6889551   -1069.3282   -1067.6392 
-     650        0.065   0.07645718    6691.1787    57.926479   -1.1179657    1.8644087   -1069.5036   -1067.6392 
-     700         0.07  0.076457185    6276.4003    60.030548   -1.1469999    1.9321298   -1069.5714   -1067.6392 
-     750        0.075   0.07645719    6149.9253    59.122504   -1.1721939    1.9029037   -1069.5421   -1067.6392 
-     800         0.08  0.076457195    6207.0587    56.349146   -1.1949365     1.813641   -1069.4529   -1067.6392 
-     850        0.085  0.076457199    6328.4635    53.154464   -1.2164642    1.7108177     -1069.35   -1067.6392 
-     900         0.09  0.076457199    6456.2716    50.837416   -1.2366018    1.6362417   -1069.2755   -1067.6392 
-     950        0.095  0.076457222    6495.1064    50.234549   -1.2539657    1.6168379   -1069.2561   -1067.6392 
-    1000          0.1  0.076457266     6416.775    51.592727   -1.2671834    1.6605519   -1069.2998   -1067.6392 
-    1050        0.105  0.076457256    6305.9015    54.719414   -1.2794824    1.7611868   -1069.4004   -1067.6392 
-    1100         0.11  0.076457222     6165.987     59.01343   -1.2960617    1.8993931   -1069.5386   -1067.6392 
-    1150        0.115  0.076457194    5941.7807    63.475298    -1.317859    2.0430017   -1069.6822   -1067.6392 
-    1200         0.12  0.076457182    5692.0982    67.036713   -1.3432854    2.1576286   -1069.7969   -1067.6392 
-    1250        0.125  0.076457217    5543.1736    68.917405   -1.3719994    2.2181602   -1069.8574   -1067.6392 
-    1300         0.13  0.076457263    5507.9968    68.753418   -1.4042339    2.2128821   -1069.8521   -1067.6392 
-    1350        0.135  0.076457286    5500.7848    66.608286   -1.4385667    2.1438394   -1069.7831   -1067.6392 
-    1400         0.14  0.076457254     5523.456    62.967429   -1.4712143    2.0266556   -1069.6659   -1067.6392 
-    1450        0.145  0.076457188    5501.5777     58.75732   -1.4990458      1.89115   -1069.5304   -1067.6392 
-    1500         0.15  0.076457175    5324.4931    55.246308   -1.5236774    1.7781453   -1069.4174   -1067.6392 
-    1550        0.155  0.076457234    5025.5908    53.607297   -1.5492947    1.7253925   -1069.3646   -1067.6392 
-    1600         0.16  0.076457297    4742.9546    54.443418   -1.5785798    1.7523036   -1069.3915   -1067.6392 
-    1650        0.165  0.076457321     4558.083    57.572305   -1.6113848    1.8530093   -1069.4922   -1067.6392 
-    1700         0.17  0.076457304    4479.4352    62.073307   -1.6443595    1.9978776   -1069.6371   -1067.6392 
-    1750        0.175  0.076457272    4520.5577    66.677964   -1.6742729     2.146082   -1069.7853   -1067.6392 
-    1800         0.18  0.076457253    4659.9114    70.277293   -1.7021557    2.2619292   -1069.9012   -1067.6392 
-    1850        0.185  0.076457257    4734.1597    72.135028   -1.7307798    2.3217219    -1069.961   -1067.6392 
-    1900         0.19  0.076457279    4632.2637    71.873382   -1.7598165    2.3133006   -1069.9525   -1067.6392 
-    1950        0.195  0.076457276    4496.6621     69.52131   -1.7866398    2.2375973   -1069.8768   -1067.6392 
-    2000          0.2  0.076457276    4507.4594     65.61098   -1.8106776    2.1117403    -1069.751   -1067.6392 
-    2050        0.205  0.076457288    4652.9279    61.016261   -1.8317479    1.9638557   -1069.6031   -1067.6392 
-    2100         0.21  0.076457307    4738.4188    56.745795   -1.8489776    1.8264074   -1069.4656   -1067.6392 
-    2150        0.215  0.076457279     4643.423    53.837376   -1.8647516    1.7327977    -1069.372   -1067.6392 
-    2200         0.22  0.076457215    4517.9871    53.044053   -1.8828305     1.707264   -1069.3465   -1067.6392 
-    2250        0.225   0.07645717    4436.4399    54.521839   -1.9038753    1.7548277   -1069.3941   -1067.6392 
-    2300         0.23  0.076457132    4318.8261    57.895634   -1.9276454    1.8634159   -1069.5026   -1067.6392 
-    2350        0.235  0.076457114    4148.8616    62.484473   -1.9559372    2.0111113   -1069.6503   -1067.6392 
-    2400         0.24  0.076457144    4014.8498    67.404243   -1.9902034    2.1694579   -1069.8087   -1067.6392 
-    2450        0.245  0.076457189     4004.017    71.654167   -2.0278558     2.306245   -1069.9455   -1067.6392 
-    2500         0.25  0.076457202    4109.5497    74.379393   -2.0629968    2.3939585   -1070.0332   -1067.6392 
-    2550        0.255  0.076457205    4251.6933    75.255112   -2.0918484    2.4221442   -1070.0614   -1067.6392 
-    2600         0.26  0.076457208    4320.6876    74.700611   -2.1169691    2.4042972   -1070.0435   -1067.6392 
-    2650        0.265  0.076457197    4297.5527    73.627823       -2.143    2.3697686    -1070.009   -1067.6392 
-    2700         0.27  0.076457213    4198.4852    72.957211   -2.1702374    2.3481845   -1069.9874   -1067.6392 
-    2750        0.275  0.076457256    4019.2384    73.353574   -2.1967187    2.3609417   -1070.0002   -1067.6392 
-    2800         0.28  0.076457288    3867.2492    75.083781   -2.2227117    2.4166298   -1070.0559   -1067.6392 
-    2850        0.285  0.076457302    3879.8471     77.82546   -2.2488766    2.5048728   -1070.1441   -1067.6392 
-    2900         0.29  0.076457321    4003.8986    80.741745   -2.2742584    2.5987357    -1070.238   -1067.6392 
-    2950        0.295  0.076457347    4026.6754    82.934399   -2.3001834     2.669308   -1070.3085   -1067.6392 
-    3000          0.3  0.076457334    3857.2183    83.701738   -2.3291113    2.6940054   -1070.3332   -1067.6392 
-    3050        0.305  0.076457295    3640.7581    82.615991   -2.3614721    2.6590598   -1070.2983   -1067.6392 
-    3100         0.31   0.07645725     3489.102    79.573679   -2.3943974    2.5611406   -1070.2004   -1067.6392 
-    3150        0.315  0.076457232    3396.4301    74.896125   -2.4236621    2.4105899   -1070.0498   -1067.6392 
-    3200         0.32  0.076457259      3378.11    69.450128   -2.4483292    2.2353063   -1069.8745   -1067.6392 
-    3250        0.325  0.076457289    3463.7734    64.542714   -2.4729224    2.0773573   -1069.7166   -1067.6392 
-    3300         0.33  0.076457318    3637.4971    61.346221    -2.500303    1.9744757   -1069.6137   -1067.6392 
-    3350        0.335  0.076457361    3833.5389    60.346704   -2.5252732    1.9423055   -1069.5815   -1067.6392 
-    3400         0.34  0.076457387    3965.2081    61.464125   -2.5426842    1.9782706   -1069.6175   -1067.6392 
-    3450        0.345  0.076457375    3976.7956     64.41797   -2.5565409    2.0733424   -1069.7126   -1067.6392 
-    3500         0.35  0.076457371    3862.8334    68.714547   -2.5743062     2.211631   -1069.8509   -1067.6392 
-    3550        0.355  0.076457375     3697.284    73.534942   -2.5974674    2.3667792    -1070.006   -1067.6392 
-    3600         0.36  0.076457362    3575.9012    77.902682   -2.6209385    2.5073583   -1070.1466   -1067.6392 
-    3650        0.365  0.076457345    3550.0667    81.043684   -2.6394846    2.6084539   -1070.2477   -1067.6392 
-    3700         0.37  0.076457309    3535.0981    82.730976     -2.65464    2.6627607    -1070.302   -1067.6392 
-    3750        0.375  0.076457309    3444.1795    83.322515   -2.6736085    2.6817998    -1070.321   -1067.6392 
-    3800         0.38  0.076457348    3323.7191    83.436143   -2.7008525     2.685457   -1070.3247   -1067.6392 
-    3850        0.385  0.076457368    3252.5404     83.62535   -2.7353937    2.6915468   -1070.3308   -1067.6392 
-    3900         0.39  0.076457344    3219.5349    84.088597   -2.7722909    2.7064568   -1070.3457   -1067.6392 
-    3950        0.395  0.076457316    3210.4164    84.636475   -2.8060651    2.7240906   -1070.3633   -1067.6392 
-    4000          0.4  0.076457319    3223.9708    85.042888   -2.8352998    2.7371713   -1070.3764   -1067.6392 
-    4050        0.405  0.076457335    3232.7108    85.266853   -2.8607963    2.7443798   -1070.3836   -1067.6392 
-    4100         0.41  0.076457314    3206.1428    85.444074   -2.8837721    2.7500838   -1070.3893   -1067.6392 
-    4150        0.415  0.076457325    3146.4589    85.771643   -2.9074131    2.7606269   -1070.3999   -1067.6392 
-    4200         0.42  0.076457395    3092.6283     86.24875   -2.9341331     2.775983   -1070.4152   -1067.6392 
-    4250        0.425   0.07645742    3103.0319    86.563557   -2.9622203    2.7861153   -1070.4253   -1067.6392 
-    4300         0.43  0.076457425    3116.9053    86.320099   -2.9880208    2.7782794   -1070.4175   -1067.6392 
-    4350        0.435  0.076457427    3061.2259    85.306966   -3.0085539    2.7456709   -1070.3849   -1067.6392 
-    4400         0.44  0.076457432    3033.5229    83.703441   -3.0243431    2.6940602   -1070.3333   -1067.6392 
-    4450        0.445  0.076457411    3042.5167    82.058057   -3.0397518    2.6411023   -1070.2803   -1067.6392 
-    4500         0.45  0.076457387    2994.5161    81.002427   -3.0597817     2.607126   -1070.2464   -1067.6392 
-    4550        0.455  0.076457413     2868.381    80.936403    -3.086593     2.605001   -1070.2442   -1067.6392 
-    4600         0.46  0.076457454    2716.5128    81.904984   -3.1192161    2.6361755   -1070.2754   -1067.6392 
-    4650        0.465  0.076457402     2628.691    83.537981   -3.1529675    2.6887347    -1070.328   -1067.6392 
-    4700         0.47  0.076457327    2609.7253    85.196185   -3.1819342    2.7421053   -1070.3813   -1067.6392 
-    4750        0.475  0.076457328    2604.4797    86.479192   -3.2088497    2.7833999   -1070.4226   -1067.6392 
-    4800         0.48  0.076457385    2610.7583    87.294321    -3.242028    2.8096355   -1070.4489   -1067.6392 
-    4850        0.485  0.076457398    2649.7853    87.477655   -3.2810534    2.8155362   -1070.4548   -1067.6392 
-    4900         0.49  0.076457371    2678.8351    86.820207   -3.3154833    2.7943757   -1070.4336   -1067.6392 
-    4950        0.495  0.076457344     2687.924    85.543066   -3.3381845      2.75327   -1070.3925   -1067.6392 
-    5000          0.5  0.076457351    2720.6587    84.363474   -3.3508261    2.7153039   -1070.3545   -1067.6392 
-    5050        0.505  0.076457408    2755.8292    84.030245   -3.3582878    2.7045787   -1070.3438   -1067.6392 
-    5100         0.51  0.076457454    2753.2313    84.932962   -3.3648805    2.7336333   -1070.3729   -1067.6392 
-    5150        0.515  0.076457453    2706.7195    86.928397   -3.3711152    2.7978579   -1070.4371   -1067.6392 
-    5200         0.52  0.076457474     2678.177    89.583728   -3.3768576    2.8833218   -1070.5226   -1067.6392 
-    5250        0.525  0.076457519    2699.6154     92.51484   -3.3860255    2.9776619   -1070.6169   -1067.6392 
-    5300         0.53  0.076457531     2703.409    95.385751   -3.4040809    3.0700644   -1070.7093   -1067.6392 
-    5350        0.535  0.076457501    2642.6927    97.779641   -3.4335521    3.1471136   -1070.7863   -1067.6392 
-    5400         0.54  0.076457502    2536.3506     99.09318   -3.4686216    3.1893909   -1070.8286   -1067.6392 
-    5450        0.545  0.076457526     2496.939    98.768917   -3.4975315    3.1789543   -1070.8182   -1067.6392 
-    5500         0.55   0.07645752    2590.2956    96.816601   -3.5146308    3.1161175   -1070.7554   -1067.6392 
-    5550        0.555   0.07645751     2736.468    93.934193   -3.5252273    3.0233449   -1070.6626   -1067.6392 
-    5600         0.56  0.076457511    2852.5253    91.119522   -3.5395987    2.9327525    -1070.572   -1067.6392 
-    5650        0.565   0.07645752    2911.6956    89.034641   -3.5601373     2.865649   -1070.5049   -1067.6392 
-    5700         0.57  0.076457504    2872.1071    87.822315   -3.5786029    2.8266294   -1070.4659   -1067.6392 
-    5750        0.575  0.076457514    2742.4368    87.594068   -3.5903293    2.8192831   -1070.4585   -1067.6392 
-    5800         0.58  0.076457541    2620.8059     88.56771   -3.5997031    2.8506205   -1070.4899   -1067.6392 
-    5850        0.585  0.076457558    2577.6659    90.685494   -3.6121768     2.918783    -1070.558   -1067.6392 
-    5900         0.59  0.076457556    2603.2365    93.377823   -3.6265073    3.0054377   -1070.6447   -1067.6392 
-    5950        0.595  0.076457545    2622.1463    95.785547   -3.6355062    3.0829322   -1070.7222   -1067.6392 
-    6000          0.6  0.076457592    2584.5093    97.370119   -3.6379265    3.1339328   -1070.7732   -1067.6392 
-    6050        0.605  0.076457628    2511.2983    98.197844   -3.6436108    3.1605738   -1070.7998   -1067.6392 
-    6100         0.61  0.076457605    2460.1937    98.607325   -3.6641337    3.1737533    -1070.813   -1067.6392 
-    6150        0.615  0.076457552    2425.1581    98.777199   -3.7023507    3.1792208   -1070.8185   -1067.6392 
-    6200         0.62  0.076457529     2378.858    98.671036   -3.7529167    3.1758039    -1070.815   -1067.6392 
-    6250        0.625  0.076457536    2373.6174    98.176109   -3.8075652    3.1598743   -1070.7991   -1067.6392 
-    6300         0.63  0.076457584    2457.9895    97.287993   -3.8600038    3.1312896   -1070.7705   -1067.6392 
-    6350        0.635  0.076457603    2571.5862    96.270876   -3.9092349    3.0985529   -1070.7378   -1067.6392 
-    6400         0.64  0.076457558    2610.0136    95.435972   -3.9541069    3.0716808   -1070.7109   -1067.6392 
-    6450        0.645  0.076457543    2587.7608    94.898692   -3.9898247    3.0543881   -1070.6936   -1067.6392 
-    6500         0.65  0.076457571    2592.7016    94.731712   -4.0156706    3.0490137   -1070.6882   -1067.6392 
-    6550        0.655  0.076457601    2601.6484     95.02635   -4.0381241    3.0584968   -1070.6977   -1067.6392 
-    6600         0.66  0.076457634    2566.7083    95.637112   -4.0616073    3.0781547   -1070.7174   -1067.6392 
-    6650        0.665  0.076457648    2514.9403    96.272248   -4.0866876     3.098597   -1070.7378   -1067.6392 
-    6700         0.67  0.076457667    2469.8797    96.811623   -4.1148391    3.1159572   -1070.7552   -1067.6392 
-    6750        0.675  0.076457679    2455.7631    97.232703   -4.1435988      3.12951   -1070.7687   -1067.6392 
-    6800         0.68  0.076457673    2468.7416    97.598183   -4.1658052    3.1412733   -1070.7805   -1067.6392 
-    6850        0.685  0.076457641      2449.95    98.364331   -4.1815152    3.1659323   -1070.8052   -1067.6392 
-    6900         0.69  0.076457591    2353.8808    100.13602   -4.1974936    3.2229556   -1070.8622   -1067.6392 
-    6950        0.695  0.076457574     2209.815    103.01374   -4.2144943    3.3155771   -1070.9548   -1067.6392 
-    7000          0.7   0.07645757    2076.4955    106.68046   -4.2313525    3.4335935   -1071.0728   -1067.6392 
-    7050        0.705  0.076457532    2018.5608    110.71726   -4.2520006    3.5635208   -1071.2028   -1067.6392 
-    7100         0.71  0.076457492    2066.0289    114.55462   -4.2812097    3.6870294   -1071.3263   -1067.6392 
-    7150        0.715   0.07645748    2155.5953    117.31153   -4.3158511    3.7757627    -1071.415   -1067.6392 
-    7200         0.72  0.076457494     2209.404    118.11478   -4.3476294    3.8016159   -1071.4408   -1067.6392 
-    7250        0.725  0.076457549     2217.455    116.73546   -4.3751645    3.7572213   -1071.3965   -1067.6392 
-    7300         0.73  0.076457599    2194.7896    113.55484   -4.4007803    3.6548507   -1071.2941   -1067.6392 
-    7350        0.735   0.07645757    2162.9678    109.25541   -4.4240013    3.5164702   -1071.1557   -1067.6392 
-    7400         0.74  0.076457504    2179.1755     104.7762   -4.4454261    3.3723033   -1071.0115   -1067.6392 
-    7450        0.745  0.076457518    2259.3755    101.07852   -4.4663804    3.2532905   -1070.8925   -1067.6392 
-    7500         0.75  0.076457572    2343.5728    98.882923   -4.4874367    3.1826236   -1070.8219   -1067.6392 
-    7550        0.755  0.076457589    2398.3228    98.458717   -4.5060637    3.1689702   -1070.8082   -1067.6392 
-    7600         0.76  0.076457555    2420.6576    99.703599   -4.5200762    3.2090377   -1070.8483   -1067.6392 
-    7650        0.765  0.076457552    2412.3104    102.42619   -4.5351178    3.2966665   -1070.9359   -1067.6392 
-    7700         0.77  0.076457571     2388.742    106.24497   -4.5597331    3.4195769   -1071.0588   -1067.6392 
-    7750        0.775  0.076457574    2379.8392    110.33126   -4.5953993    3.5510971   -1071.1903   -1067.6392 
-    7800         0.78  0.076457547    2387.9692    113.47154   -4.6333122    3.6521696   -1071.2914   -1067.6392 
-    7850        0.785  0.076457584    2375.3173    114.64931   -4.6633154    3.6900771   -1071.3293   -1067.6392 
-    7900         0.79  0.076457607    2347.9452    113.52456   -4.6810365    3.6538759   -1071.2931   -1067.6392 
-    7950        0.795  0.076457576    2325.3437    110.51925   -4.6879165    3.5571478   -1071.1964   -1067.6392 
-    8000          0.8  0.076457576    2298.9574    106.80135   -4.6933853    3.4374844   -1071.0767   -1067.6392 
-    8050        0.805  0.076457591    2279.7296     103.7714   -4.7072185     3.339963   -1070.9792   -1067.6392 
-    8100         0.81  0.076457594    2277.4281    102.48909   -4.7324485     3.298691   -1070.9379   -1067.6392 
-    8150        0.815  0.076457634    2249.9673    103.46477   -4.7678493    3.3300941   -1070.9693   -1067.6392 
-    8200         0.82  0.076457642    2192.5499    106.44615   -4.8061066    3.4260518   -1071.0653   -1067.6392 
-    8250        0.825  0.076457605    2153.4317    110.64954   -4.8384076    3.5613412   -1071.2006   -1067.6392 
-    8300         0.83   0.07645754    2141.4131    115.25212   -4.8632501     3.709479   -1071.3487   -1067.6392 
-    8350        0.835  0.076457494    2140.5445    119.40588   -4.8830278    3.8431708   -1071.4824   -1067.6392 
-    8400         0.84  0.076457514     2137.788     122.1619   -4.8981204    3.9318754   -1071.5711   -1067.6392 
-    8450        0.845  0.076457574    2137.0667    122.97752   -4.9139635     3.958127   -1071.5974   -1067.6392 
-    8500         0.85  0.076457574    2145.0503    121.91147   -4.9379125    3.9238154    -1071.563   -1067.6392 
-    8550        0.855  0.076457593    2147.0889    119.37696   -4.9688875      3.84224   -1071.4815   -1067.6392 
-    8600         0.86   0.07645763    2081.6527    116.07646   -5.0006593     3.736011   -1071.3752   -1067.6392 
-    8650        0.865  0.076457595    1962.5911    112.96131   -5.0308687    3.6357476    -1071.275   -1067.6392 
-    8700         0.87  0.076457564    1869.6563    110.95387   -5.0615711    3.5711363   -1071.2104   -1067.6392 
-    8750        0.875  0.076457589    1834.0748    110.57729   -5.0928561    3.5590158   -1071.1982   -1067.6392 
-    8800         0.88  0.076457596      1854.43    111.81118   -5.1197787    3.5987297    -1071.238   -1067.6392 
-    8850        0.885  0.076457575    1865.6826    114.38971   -5.1401001    3.6817215    -1071.321   -1067.6392 
-    8900         0.89  0.076457601    1833.0206    117.96559   -5.1581048     3.796814    -1071.436   -1067.6392 
-    8950        0.895  0.076457671    1792.8832    121.88891   -5.1778019    3.9230893   -1071.5623   -1067.6392 
-    9000          0.9  0.076457726    1758.5023    125.25302   -5.2006688    4.0313657   -1071.6706   -1067.6392 
-    9050        0.905  0.076457731    1735.1309    127.17393   -5.2254334    4.0931918   -1071.7324   -1067.6392 
-    9100         0.91  0.076457741     1762.187    127.10436   -5.2491072    4.0909526   -1071.7302   -1067.6392 
-    9150        0.915  0.076457708    1843.8804    124.99484   -5.2685152    4.0230558   -1071.6623   -1067.6392 
-    9200         0.92  0.076457667    1957.8234    121.30407   -5.2827478    3.9042658   -1071.5435   -1067.6392 
-    9250        0.925  0.076457686    2062.5914    117.02709   -5.2984278    3.7666077   -1071.4058   -1067.6392 
-    9300         0.93  0.076457701    2105.5399    113.37476   -5.3254121    3.6490547   -1071.2883   -1067.6392 
-    9350        0.935  0.076457698    2097.1011    111.14541   -5.3634987    3.5773012   -1071.2165   -1067.6392 
-    9400         0.94  0.076457691    2074.0275    110.80542   -5.4086147    3.5663585   -1071.2056   -1067.6392 
-    9450        0.945  0.076457741    2084.2231    112.48714   -5.4565921    3.6204859   -1071.2597   -1067.6392 
-    9500         0.95  0.076457742    2098.9606    115.74433   -5.4989221     3.725321   -1071.3646   -1067.6392 
-    9550        0.955   0.07645769    2076.1518    119.81614   -5.5288469    3.8563755   -1071.4956   -1067.6392 
-    9600         0.96  0.076457671    2028.8268    123.94506   -5.5445735     3.989268   -1071.6285   -1067.6392 
-    9650        0.965    0.0764577    2001.4552     127.5336    -5.548578     4.104768    -1071.744   -1067.6392 
-    9700         0.97  0.076457704    1998.3789    130.13306   -5.5456805    4.1884336   -1071.8277   -1067.6392 
-    9750        0.975  0.076457717     1975.232     131.4781   -5.5424564    4.2317247    -1071.871   -1067.6392 
-    9800         0.98  0.076457754    1943.5946    131.52534    -5.543939    4.2332452   -1071.8725   -1067.6392 
-    9850        0.985  0.076457767    1925.7258    130.61182   -5.5541538    4.2038429   -1071.8431   -1067.6392 
-    9900         0.99  0.076457768    1912.4426    129.30485   -5.5732953    4.1617771    -1071.801   -1067.6392 
-    9950        0.995   0.07645781    1906.7982    128.04744   -5.5944645    4.1213064   -1071.7605   -1067.6392 
-   10000            1  0.076457853    1902.6667    127.24846   -5.6139316    4.0955905   -1071.7348   -1067.6392 
-   10050        1.005  0.076457894    1903.6495    127.22624   -5.6350055    4.0948754   -1071.7341   -1067.6392 
-   10100         1.01  0.076457899    1913.5279    127.69735   -5.6543581    4.1100384   -1071.7493   -1067.6392 
-   10150        1.015  0.076457799    1907.6348    128.06173   -5.6658197    4.1217662    -1071.761   -1067.6392 
-   10200         1.02  0.076457733    1899.2476    128.11218   -5.6733688      4.12339   -1071.7626   -1067.6392 
-   10250        1.025  0.076457747    1895.8986    127.94169   -5.6840919    4.1179026   -1071.7571   -1067.6392 
-   10300         1.03  0.076457816    1877.4598     127.6041   -5.7004798     4.107037   -1071.7463   -1067.6392 
-   10350        1.035  0.076457876    1829.2074    127.11751   -5.7241722    4.0913757   -1071.7306   -1067.6392 
-   10400         1.04  0.076457884    1806.0757    126.48167    -5.756364    4.0709108   -1071.7101   -1067.6392 
-   10450        1.045  0.076457869    1822.1953     125.5947   -5.7930905     4.042363   -1071.6816   -1067.6392 
-   10500         1.05  0.076457879    1827.9173    124.33858   -5.8252681    4.0019336   -1071.6412   -1067.6392 
-   10550        1.055  0.076457858    1812.1963    122.79649   -5.8435788    3.9523004   -1071.5915   -1067.6392 
-   10600         1.06  0.076457791    1797.2949    121.53225   -5.8488847    3.9116096   -1071.5508   -1067.6392 
-   10650        1.065  0.076457757      1775.25    121.32451   -5.8518555    3.9049236   -1071.5442   -1067.6392 
-   10700         1.07  0.076457792    1740.3273    122.44046   -5.8607258    3.9408413   -1071.5801   -1067.6392 
-   10750        1.075  0.076457855    1729.7945    124.41086   -5.8780857    4.0042601   -1071.6435   -1067.6392 
-   10800         1.08  0.076457901    1741.2893    126.28784   -5.9016509    4.0646721   -1071.7039   -1067.6392 
-   10850        1.085  0.076457859    1751.6811    127.09185   -5.9236888    4.0905498   -1071.7298   -1067.6392 
-   10900         1.09  0.076457795     1764.679    126.41883    -5.937278    4.0688881   -1071.7081   -1067.6392 
-   10950        1.095   0.07645779    1769.3986    124.77704   -5.9433211    4.0160458   -1071.6553   -1067.6392 
-   11000          1.1  0.076457827    1761.3552    123.29516   -5.9478426    3.9683506   -1071.6076   -1067.6392 
-   11050        1.105  0.076457857    1751.4218    123.17488   -5.9566275    3.9644792   -1071.6037   -1067.6392 
-   11100         1.11  0.076457863    1726.8666    125.22443   -5.9741936    4.0304456   -1071.6697   -1067.6392 
-   11150        1.115  0.076457878    1735.2828    129.42028   -6.0014992    4.1654923   -1071.8047   -1067.6392 
-   11200         1.12  0.076457903    1805.6904    134.81633   -6.0340926    4.3391683   -1071.9784   -1067.6392 
-   11250        1.125  0.076457923    1847.8249    139.98198   -6.0631111    4.5054288   -1072.1447   -1067.6392 
-   11300         1.13  0.076457865    1818.7912    143.90555   -6.0856034    4.6317119   -1072.2709   -1067.6392 
-   11350        1.135  0.076457825    1798.9525    146.44555   -6.1101917    4.7134638   -1072.3527   -1067.6392 
-   11400         1.14  0.076457815    1837.1775    147.67989   -6.1418356    4.7531917   -1072.3924   -1067.6392 
-   11450        1.145  0.076457893    1909.6101    147.41836   -6.1737085    4.7447744    -1072.384   -1067.6392 
-   11500         1.15  0.076457962    1946.7114    145.59364   -6.1998495    4.6860443   -1072.3253   -1067.6392 
-   11550        1.155  0.076457957     1967.998    142.69304   -6.2256371    4.5926863   -1072.2319   -1067.6392 
-   11600         1.16  0.076457903     2034.228    139.43936   -6.2585164    4.4879639   -1072.1272   -1067.6392 
-   11650        1.165  0.076457847    2063.6908     136.1161   -6.2925345    4.3810023   -1072.0202   -1067.6392 
-   11700         1.17  0.076457857    1990.1311    132.80435   -6.3184969    4.2744111   -1071.9136   -1067.6392 
-   11750        1.175  0.076457901      1933.95    129.89649   -6.3394362    4.1808193   -1071.8201   -1067.6392 
-   11800         1.18  0.076457953    1947.2099    127.68121   -6.3585167    4.1095189   -1071.7488   -1067.6392 
-   11850        1.185  0.076457986    1940.4995    126.35451   -6.3779087    4.0668179    -1071.706   -1067.6392 
-   11900         1.19  0.076457947    1896.3696    126.25109   -6.4040311    4.0634894   -1071.7027   -1067.6392 
-   11950        1.195  0.076457956    1843.5682     127.5666   -6.4410172    4.1058301   -1071.7451   -1067.6392 
-   12000          1.2  0.076457964    1811.4472    130.04643   -6.4846233    4.1856452   -1071.8249   -1067.6392 
-   12050        1.205  0.076457972    1814.5828    133.04634   -6.5254215    4.2821996   -1071.9214   -1067.6392 
-   12100         1.21  0.076457967    1813.6628    135.85077   -6.5555239    4.3724623   -1072.0117   -1067.6392 
-   12150        1.215  0.076457935    1806.3763    138.19822   -6.5770911     4.448017   -1072.0872   -1067.6392 
-   12200         1.22  0.076457946    1794.9644    140.31834   -6.5982636    4.5162546   -1072.1555   -1067.6392 
-   12250        1.225  0.076457982    1772.5404    142.42677   -6.6192794    4.5841162   -1072.2233   -1067.6392 
-   12300         1.23  0.076457963    1753.3843    144.61375   -6.6346864    4.6545058   -1072.2937   -1067.6392 
-   12350        1.235  0.076457949    1737.1545    146.94235   -6.6429412    4.7294536   -1072.3687   -1067.6392 
-   12400         1.24  0.076457977     1726.207    149.46271   -6.6518876    4.8105732   -1072.4498   -1067.6392 
-   12450        1.245  0.076457983    1731.0662    151.80715   -6.6670425    4.8860309   -1072.5253   -1067.6392 
-   12500         1.25  0.076457915    1760.4467    153.07641   -6.6813282    4.9268832   -1072.5661   -1067.6392 
-   12550        1.255  0.076457879    1799.0622    152.72464   -6.6918933    4.9155611   -1072.5548   -1067.6392 
-   12600         1.26  0.076457914    1822.2254    151.04918    -6.710248     4.861635   -1072.5009   -1067.6392 
-   12650        1.265   0.07645795    1816.7324    148.37072   -6.7389019    4.7754268   -1072.4147   -1067.6392 
-   12700         1.27  0.076457955    1812.8602    144.86733   -6.7666889    4.6626674   -1072.3019   -1067.6392 
-   12750        1.275  0.076457984    1810.7634    141.22215    -6.788381    4.5453446   -1072.1846   -1067.6392 
-   12800         1.28  0.076458017    1784.5198    138.39541   -6.8065328    4.4543636   -1072.0936   -1067.6392 
-   12850        1.285  0.076458007    1723.1734    136.86317   -6.8200203    4.4050473   -1072.0443   -1067.6392 
-   12900         1.29  0.076457981    1676.1889    136.77495   -6.8278227    4.4022078   -1072.0414   -1067.6392 
-   12950        1.295   0.07645799     1686.883    138.26769   -6.8341741    4.4502528   -1072.0895   -1067.6392 
-   13000          1.3     0.076458    1750.0412    141.08411    -6.841283    4.5409017   -1072.1801   -1067.6392 
-   13050        1.305  0.076457933     1814.788    144.61706   -6.8510949    4.6546122   -1072.2938   -1067.6392 
-   13100         1.31  0.076457918    1840.2708    148.22464   -6.8662706     4.770725     -1072.41   -1067.6392 
-   13150        1.315   0.07645799    1855.2415     151.3832   -6.8883549    4.8723856   -1072.5116   -1067.6392 
-   13200         1.32  0.076458049    1867.3248    153.53322   -6.9142169    4.9415857   -1072.5808   -1067.6392 
-   13250        1.325  0.076458096    1847.9049    154.02873   -6.9377296    4.9575343   -1072.5968   -1067.6392 
-   13300         1.33  0.076458112     1840.483    152.42018   -6.9562822    4.9057618    -1072.545   -1067.6392 
-   13350        1.335  0.076458098    1855.9464    148.69839    -6.970188    4.7859732   -1072.4252   -1067.6392 
-   13400         1.34   0.07645806    1820.6867     143.5401   -6.9830712    4.6199497   -1072.2592   -1067.6392 
-   13450        1.345  0.076457976    1745.2435    138.19145   -6.9989611    4.4477992    -1072.087   -1067.6392 
-   13500         1.35  0.076457963    1697.5473    133.92117   -7.0152512     4.310357   -1071.9496   -1067.6392 
-   13550        1.355  0.076458016    1684.8882    131.80734   -7.0311044    4.2423215   -1071.8816   -1067.6392 
-   13600         1.36  0.076458061    1708.2521     132.4772    -7.051885    4.2638815   -1071.9031   -1067.6392 
-   13650        1.365   0.07645807    1723.4416    135.53906   -7.0750853      4.36243   -1072.0017   -1067.6392 
-   13700         1.37   0.07645806     1706.999    139.94405   -7.0945976    4.5042079   -1072.1434   -1067.6392 
-   13750        1.375  0.076458036    1712.8033    144.85597   -7.1159258    4.6623018   -1072.3015   -1067.6392 
-   13800         1.38  0.076457971    1751.0123    149.63395   -7.1458169    4.8160849   -1072.4553   -1067.6392 
-   13850        1.385  0.076458021    1772.9962    153.59227   -7.1786728    4.9434865   -1072.5827   -1067.6392 
-   13900         1.39  0.076458106    1773.7385    156.28506   -7.2050465     5.030156   -1072.6694   -1067.6392 
-   13950        1.395  0.076458102    1748.7335    157.81358   -7.2259294    5.0793525   -1072.7186   -1067.6392 
-   14000          1.4  0.076458031    1718.5394    158.78508   -7.2557377     5.110621   -1072.7499   -1067.6392 
-   14050        1.405  0.076457985    1759.6811     159.6226   -7.3026227    5.1375772   -1072.7768   -1067.6392 
-   14100         1.41  0.076457949     1848.058    160.13835    -7.353886     5.154177   -1072.7934   -1067.6392 
-   14150        1.415   0.07645791    1902.6843    160.00219    -7.387799    5.1497946    -1072.789   -1067.6392 
-   14200         1.42  0.076457928    1921.0383    159.34446   -7.3946089    5.1286251   -1072.7679   -1067.6392 
-   14250        1.425  0.076458016    1906.9383    158.81344   -7.3863965     5.111534   -1072.7508   -1067.6392 
-   14300         1.43  0.076458065    1861.3283      158.866   -7.3810737    5.1132253   -1072.7525   -1067.6392 
-   14350        1.435  0.076458033    1831.4331    159.34444   -7.3867848    5.1286245   -1072.7679   -1067.6392 
-   14400         1.44  0.076457975    1816.0391     159.7047   -7.4029452    5.1402197   -1072.7795   -1067.6392 
-   14450        1.445  0.076457983    1762.1574    159.29777   -7.4235285    5.1271223   -1072.7664   -1067.6392 
-   14500         1.45  0.076458063    1709.2993    157.82112   -7.4454745    5.0795953   -1072.7188   -1067.6392 
-   14550        1.455  0.076458051    1677.4867    155.54554   -7.4726077    5.0063538   -1072.6456   -1067.6392 
-   14600         1.46  0.076457997    1654.1484    152.98432    -7.507262    4.9239192   -1072.5632   -1067.6392 
-   14650        1.465  0.076457952    1662.1842    150.42233   -7.5432446    4.8414594   -1072.4807   -1067.6392 
-   14700         1.47  0.076457903    1676.4959    147.93139   -7.5725021    4.7612867   -1072.4005   -1067.6392 
-   14750        1.475  0.076457859    1647.8468    145.84289   -7.5959112    4.6940666   -1072.3333   -1067.6392 
-   14800         1.48  0.076457877    1565.6357     144.8914   -7.6195017    4.6634423   -1072.3027   -1067.6392 
-   14850        1.485  0.076457947    1482.0818    145.74233   -7.6439027      4.69083   -1072.3301   -1067.6392 
-   14900         1.49  0.076457952    1458.8328    148.56937   -7.6680645    4.7818206   -1072.4211   -1067.6392 
-   14950        1.495  0.076457894    1499.3699    152.90243   -7.6925072    4.9212832   -1072.5605   -1067.6392 
-   15000          1.5  0.076457943    1551.7726    157.93125   -7.7198204    5.0831399   -1072.7224   -1067.6392 
-   15050        1.505  0.076457986    1571.2434     162.8654   -7.7546524    5.2419492   -1072.8812   -1067.6392 
-   15100         1.51  0.076457935    1575.6395    166.87268   -7.7966882    5.3709267   -1073.0102   -1067.6392 
-   15150        1.515  0.076457852    1577.2167    169.36633   -7.8445178    5.4511868   -1073.0904   -1067.6392 
-   15200         1.52  0.076457871    1551.3549    170.15934   -7.8947687    5.4767104   -1073.1159   -1067.6392 
-   15250        1.525  0.076457931    1540.7825    169.38479   -7.9379114    5.4517809    -1073.091   -1067.6392 
-   15300         1.53  0.076457872    1542.7519      167.721   -7.9689255    5.3982305   -1073.0375   -1067.6392 
-   15350        1.535  0.076457794    1515.2436    166.07279   -7.9891151    5.3451817   -1072.9844   -1067.6392 
-   15400         1.54  0.076457791    1471.3138    164.91456   -8.0001719    5.3079031   -1072.9471   -1067.6392 
-   15450        1.545  0.076457806    1446.0781    164.17878    -8.005266    5.2842213   -1072.9235   -1067.6392 
-   15500         1.55  0.076457866    1437.1273    163.51385    -8.007144    5.2628202   -1072.9021   -1067.6392 
-   15550        1.555  0.076457955    1429.6394     162.9507   -8.0109974    5.2446946   -1072.8839   -1067.6392 
-   15600         1.56  0.076457952    1428.0365    163.16031   -8.0290067    5.2514413   -1072.8907   -1067.6392 
-   15650        1.565  0.076457861    1443.4131    164.39868   -8.0647449     5.291299   -1072.9305   -1067.6392 
-   15700         1.57  0.076457793    1455.1522    165.85145    -8.105615    5.3380576   -1072.9773   -1067.6392 
-   15750        1.575  0.076457798    1463.0529    166.37099   -8.1380795    5.3547794    -1072.994   -1067.6392 
-   15800         1.58    0.0764579    1465.1315    165.43643   -8.1598171    5.3246998   -1072.9639   -1067.6392 
-   15850        1.585  0.076457964    1481.9518    163.30816   -8.1737913    5.2561998   -1072.8954   -1067.6392 
-   15900         1.59  0.076457915    1527.4564    160.78551   -8.1825869    5.1750065   -1072.8142   -1067.6392 
-   15950        1.595  0.076457836    1575.6511    158.77652   -8.1876334    5.1103456   -1072.7496   -1067.6392 
-   16000          1.6   0.07645778    1614.7527    157.95908   -8.1929355    5.0840356   -1072.7233   -1067.6392 
-   16050        1.605  0.076457779    1617.7108     158.3895   -8.1978312    5.0978888   -1072.7371   -1067.6392 
-   16100         1.61  0.076457748     1603.592     159.6981   -8.1974276    5.1400074   -1072.7792   -1067.6392 
-   16150        1.615  0.076457683    1621.7853    161.62591   -8.1934309    5.2020553   -1072.8413   -1067.6392 
-   16200         1.62  0.076457713    1666.2189    163.90851   -8.1904572    5.2755226   -1072.9148   -1067.6392 
-   16250        1.625  0.076457784    1699.4521    166.19825   -8.1928336    5.3492197   -1072.9885   -1067.6392 
-   16300         1.63  0.076457822    1732.0779     168.1831   -8.2032476    5.4131037   -1073.0523   -1067.6392 
-   16350        1.635  0.076457792    1749.3266    169.69701   -8.2214781    5.4618299   -1073.1011   -1067.6392 
-   16400         1.64  0.076457743    1727.9265    170.72169   -8.2470147    5.4948102    -1073.134   -1067.6392 
-   16450        1.645  0.076457802    1695.7397    171.03962   -8.2748768    5.5050428   -1073.1443   -1067.6392 
-   16500         1.65  0.076457865    1654.9001     170.1718   -8.2900487    5.4771114   -1073.1163   -1067.6392 
-   16550        1.655  0.076457864    1599.4818    168.42964   -8.2855859    5.4210388   -1073.0603   -1067.6392 
-   16600         1.66  0.076457829    1549.0403    167.32713   -8.2743004    5.3855536   -1073.0248   -1067.6392 
-   16650        1.665  0.076457816    1552.8738    168.16653   -8.2712688    5.4125703   -1073.0518   -1067.6392 
-   16700         1.67  0.076457855    1613.3994    170.72875    -8.278589    5.4950374   -1073.1343   -1067.6392 
-   16750        1.675  0.076457923    1657.1911    173.60042    -8.287191    5.5874642   -1073.2267   -1067.6392 
-   16800         1.68  0.076457913     1642.492    175.54043    -8.290541    5.6499049   -1073.2891   -1067.6392 
-   16850        1.685  0.076457804    1591.5457    176.27819   -8.2944475    5.6736502   -1073.3129   -1067.6392 
-   16900         1.69  0.076457721    1535.2384    176.07329   -8.3085794    5.6670554   -1073.3063   -1067.6392 
-   16950        1.695  0.076457718     1505.622    175.05532   -8.3334071    5.6342912   -1073.2735   -1067.6392 
-   17000          1.7  0.076457759    1497.9484    173.29107   -8.3636107    5.5775077   -1073.2167   -1067.6392 
-   17050        1.705  0.076457839    1497.0049    170.93476   -8.3927083    5.5016678   -1073.1409   -1067.6392 
-   17100         1.71  0.076457875    1511.4053    168.29935   -8.4139231    5.4168451   -1073.0561   -1067.6392 
-   17150        1.715  0.076457846    1513.6863    166.13296   -8.4263326    5.3471182   -1072.9863   -1067.6392 
-   17200         1.72  0.076457792    1500.5415    165.41134   -8.4331329    5.3238925   -1072.9631   -1067.6392 
-   17250        1.725  0.076457779    1516.4257    166.86136   -8.4395441    5.3705623   -1073.0098   -1067.6392 
-   17300         1.73  0.076457719    1560.1678    170.36031   -8.4473104    5.4831788   -1073.1224   -1067.6392 
-   17350        1.735  0.076457713    1589.7681    174.76749   -8.4563024    5.6250272   -1073.2643   -1067.6392 
-   17400         1.74  0.076457713    1591.6237    178.46853   -8.4713912    5.7441481   -1073.3834   -1067.6392 
-   17450        1.745  0.076457675    1596.2649    179.85013   -8.4922285    5.7886159   -1073.4279   -1067.6392 
-   17500         1.75  0.076457641    1584.0194    177.91175   -8.5124955    5.7262277   -1073.3655   -1067.6392 
-   17550        1.755  0.076457729    1561.3047     172.8566   -8.5331849    5.5635239   -1073.2028   -1067.6392 
-   17600         1.76  0.076457773    1572.5958    165.81832   -8.5554415    5.3369913   -1072.9762   -1067.6392 
-   17650        1.765  0.076457741    1605.3403    158.62222   -8.5744278    5.1053792   -1072.7446   -1067.6392 
-   17700         1.77  0.076457777    1625.9857    153.83663   -8.5928174    4.9513512   -1072.5906   -1067.6392 
-   17750        1.775  0.076457794    1624.2493    153.59935   -8.6164551    4.9437143   -1072.5829   -1067.6392 
-   17800         1.78  0.076457697    1600.4975    158.02997    -8.639484    5.0863173   -1072.7255   -1067.6392 
-   17850        1.785  0.076457635    1572.3161    165.46312   -8.6573098    5.3255589   -1072.9648   -1067.6392 
-   17900         1.79  0.076457609    1561.9769    173.49259   -8.6712589    5.5839937   -1073.2232   -1067.6392 
-   17950        1.795  0.076457688    1562.7517    180.08491   -8.6850112    5.7961727   -1073.4354   -1067.6392 
-   18000          1.8  0.076457774    1534.5231    184.30185   -8.7046968    5.9318979   -1073.5711   -1067.6392 
-   18050        1.805  0.076457734    1514.7751    185.91513   -8.7282196    5.9838228   -1073.6231   -1067.6392 
-   18100         1.81  0.076457673    1529.4218     185.3585   -8.7536862    5.9659073   -1073.6051   -1067.6392 
-   18150        1.815  0.076457707    1528.0858    183.58143   -8.7834393    5.9087109   -1073.5479   -1067.6392 
-   18200         1.82    0.0764577     1527.873    181.50762   -8.8147286    5.8419635   -1073.4812   -1067.6392 
-   18250        1.825  0.076457665    1548.9614    179.99555   -8.8428647    5.7932965   -1073.4325   -1067.6392 
-   18300         1.83  0.076457588    1549.3007    179.95539   -8.8681457    5.7920039   -1073.4312   -1067.6392 
-   18350        1.835  0.076457533     1526.091    181.95841   -8.8948825    5.8564725   -1073.4957   -1067.6392 
-   18400         1.84  0.076457629    1493.8372    185.43374   -8.9193239     5.968329   -1073.6076   -1067.6392 
-   18450        1.845  0.076457747    1466.0305    188.93806   -8.9346392    6.0811179   -1073.7204   -1067.6392 
-   18500         1.85  0.076457732    1463.6299    191.18823   -8.9432273    6.1535417   -1073.7928   -1067.6392 
-   18550        1.855  0.076457611    1470.3581    191.71361   -8.9569487    6.1704514   -1073.8097   -1067.6392 
-   18600         1.86  0.076457576    1465.3642    190.61383   -8.9856472     6.135054   -1073.7743   -1067.6392 
-   18650        1.865  0.076457589    1435.5034     187.7372   -9.0216033    6.0424676   -1073.6817   -1067.6392 
-   18700         1.87  0.076457602    1387.1168    182.94758   -9.0538168    5.8883099   -1073.5275   -1067.6392 
-   18750        1.875  0.076457646    1370.2898     176.6874   -9.0814451     5.686821   -1073.3261   -1067.6392 
-   18800         1.88  0.076457607    1396.5471    169.73777   -9.1008384    5.4631417   -1073.1024   -1067.6392 
-   18850        1.885  0.076457617    1424.9718     163.2588    -9.109503    5.2546111   -1072.8938   -1067.6392 
-   18900         1.89  0.076457679    1428.3173    158.69622   -9.1168953     5.107761    -1072.747   -1067.6392 
-   18950        1.895  0.076457649    1439.2765    156.82172   -9.1272053    5.0474288   -1072.6867   -1067.6392 
-   19000          1.9  0.076457629    1459.8802    157.73056   -9.1321959    5.0766804   -1072.7159   -1067.6392 
-   19050        1.905  0.076457635     1504.363    162.01011   -9.1350256    5.2144212   -1072.8536   -1067.6392 
-   19100         1.91   0.07645765    1534.7588    170.14098   -9.1510965    5.4761196   -1073.1153   -1067.6392 
-   19150        1.915  0.076457653    1508.0173    180.71726   -9.1848155    5.8165254   -1073.4558   -1067.6392 
-   19200         1.92  0.076457613     1467.829    190.69721   -9.2245704    6.1377378    -1073.777   -1067.6392 
-   19250        1.925  0.076457631    1432.4759    197.48699   -9.2604662    6.3562721   -1073.9955   -1067.6392 
-   19300         1.93   0.07645763    1411.3494    200.09216   -9.2919631    6.4401214   -1074.0794   -1067.6392 
-   19350        1.935  0.076457594    1414.8241    198.83025   -9.3208023     6.399506   -1074.0387   -1067.6392 
-   19400         1.94  0.076457607     1435.692    194.74665   -9.3453509    6.2680721   -1073.9073   -1067.6392 
-   19450        1.945  0.076457654    1457.6905     189.4249   -9.3649457    6.0967875    -1073.736   -1067.6392 
-   19500         1.95  0.076457645    1449.0474     184.9571   -9.3864711    5.9529879   -1073.5922   -1067.6392 
-   19550        1.955  0.076457606    1409.8482    183.36678   -9.4200425     5.901802    -1073.541   -1067.6392 
-   19600         1.96  0.076457637    1376.8581     185.3704   -9.4660084    5.9662902   -1073.6055   -1067.6392 
-   19650        1.965  0.076457676    1394.1961    189.79341    -9.512099    6.1086483   -1073.7479   -1067.6392 
-   19700         1.97  0.076457666    1444.3533    194.43969   -9.5410671    6.2581922   -1073.8974   -1067.6392 
-   19750        1.975  0.076457652    1456.9001    197.74076   -9.5468975    6.3644397   -1074.0037   -1067.6392 
-   19800         1.98  0.076457697    1416.4247    199.50327   -9.5434518    6.4211677   -1074.0604   -1067.6392 
-   19850        1.985   0.07645765    1363.4589    200.03465   -9.5469461    6.4382705   -1074.0775   -1067.6392 
-   19900         1.99  0.076457547    1331.9006    199.31164   -9.5615968    6.4149999   -1074.0542   -1067.6392 
-   19950        1.995  0.076457526    1324.5585    197.29584   -9.5885975    6.3501197   -1073.9894   -1067.6392 
-   20000            2  0.076457553     1337.069    194.04585   -9.6231448    6.2455162   -1073.8847   -1067.6392 
-   20050        2.005  0.076457648    1351.0753    189.93086   -9.6575947     6.113072   -1073.7523   -1067.6392 
-   20100         2.01  0.076457655    1339.7133     185.8145   -9.6913164     5.980584   -1073.6198   -1067.6392 
-   20150        2.015  0.076457614    1318.0742    182.57664   -9.7225895    5.8763709   -1073.5156   -1067.6392 
-   20200         2.02  0.076457601    1288.6368    180.87905   -9.7460096    5.8217325    -1073.461   -1067.6392 
-   20250        2.025  0.076457595    1270.6138    181.09203   -9.7599966    5.8285875   -1073.4678   -1067.6392 
-   20300         2.03   0.07645759    1297.0333    183.14558    -9.771863    5.8946825   -1073.5339   -1067.6392 
-   20350        2.035  0.076457544     1322.481    186.19746   -9.7878745    5.9929098   -1073.6321   -1067.6392 
-   20400         2.04  0.076457529    1321.8589    188.69758   -9.8051647    6.0733781   -1073.7126   -1067.6392 
-   20450        2.045  0.076457552    1334.9839    189.43488   -9.8222144    6.0971087   -1073.7363   -1067.6392 
-   20500         2.05  0.076457581    1383.7092    188.25801   -9.8390497      6.05923   -1073.6985   -1067.6392 
-   20550        2.055  0.076457593    1422.9993     186.0328   -9.8547027    5.9876099   -1073.6268   -1067.6392 
-   20600         2.06   0.07645748    1399.9508    184.16392   -9.8728024    5.9274586   -1073.5667   -1067.6392 
-   20650        2.065  0.076457422    1335.1662    183.59411   -9.8931369    5.9091189   -1073.5483   -1067.6392 
-   20700         2.07  0.076457465     1306.751    184.55079   -9.9118543    5.9399103   -1073.5791   -1067.6392 
-   20750        2.075  0.076457483    1305.5888    187.07424   -9.9311695    6.0211296   -1073.6604   -1067.6392 
-   20800         2.08  0.076457441    1294.1667    191.05858   -9.9508151    6.1493686   -1073.7886   -1067.6392 
-   20850        2.085  0.076457401    1282.0253    196.07833   -9.9647464    6.3109334   -1073.9502   -1067.6392 
-   20900         2.09  0.076457455    1292.0201    201.33144   -9.9711707    6.4800088   -1074.1192   -1067.6392 
-   20950        2.095  0.076457576    1320.8835     205.6673   -9.9717153    6.6195616   -1074.2588   -1067.6392 
-   21000          2.1  0.076457569    1327.4497    207.97171   -9.9627916    6.6937308    -1074.333   -1067.6392 
-   21050        2.105  0.076457524    1302.0315    208.01339   -9.9425688    6.6950725   -1074.3343   -1067.6392 
-   21100         2.11  0.076457555    1283.4817    206.79741   -9.9230585    6.6559351   -1074.2952   -1067.6392 
-   21150        2.115  0.076457542    1295.1909     205.4375    -9.914788    6.6121654   -1074.2514   -1067.6392 
-   21200         2.12  0.076457479    1321.5201     204.1527    -9.909418    6.5708132     -1074.21   -1067.6392 
-   21250        2.125  0.076457453    1325.0561    202.79152   -9.8961399    6.5270024   -1074.1662   -1067.6392 
-   21300         2.13  0.076457519    1301.9167    201.35361   -9.8787376    6.4807223     -1074.12   -1067.6392 
-   21350        2.135  0.076457579    1274.9532    199.72664    -9.868175     6.428357   -1074.0676   -1067.6392 
-   21400         2.14  0.076457544    1261.6495     197.3916   -9.8684802    6.3532018   -1073.9924   -1067.6392 
-   21450        2.145  0.076457471    1267.8867    193.48031   -9.8693012    6.2273138   -1073.8665   -1067.6392 
-   21500         2.15  0.076457431    1293.2863    187.70474   -9.8616374    6.0414226   -1073.6807   -1067.6392 
-   21550        2.155   0.07645745    1323.0989    181.26349   -9.8574218    5.8341061   -1073.4733   -1067.6392 
-   21600         2.16  0.076457464    1324.9095    175.93101   -9.8707078     5.662476   -1073.3017   -1067.6392 
-   21650        2.165  0.076457483    1337.2372    172.83131   -9.9003355      5.56271   -1073.2019   -1067.6392 
-   21700         2.17  0.076457536    1353.6476    172.28199   -9.9335024    5.5450296   -1073.1843   -1067.6392 
-   21750        2.175  0.076457522    1337.4658    174.63693   -9.9656126    5.6208252   -1073.2601   -1067.6392 
-   21800         2.18  0.076457492    1319.6144    180.27032   -10.002014    5.8021402   -1073.4414   -1067.6392 
-   21850        2.185  0.076457468    1325.9534     188.6868   -10.042097     6.073031   -1073.7123   -1067.6392 
-   21900         2.19    0.0764574     1351.519    198.20437   -10.076426    6.3793615   -1074.0186   -1067.6392 
-   21950        2.195  0.076457412    1373.8526    206.68615   -10.099592    6.6523543   -1074.2916   -1067.6392 
-   22000          2.2  0.076457518     1392.659    212.65494    -10.12001    6.8444642   -1074.4837   -1067.6392 
-   22050        2.205  0.076457606    1390.3967    215.42094   -10.145572      6.93349   -1074.5727   -1067.6392 
-   22100         2.21  0.076457602    1347.4452    214.94045   -10.173725    6.9180253   -1074.5573   -1067.6392 
-   22150        2.215  0.076457513    1283.3202    211.98537   -10.199933    6.8229137   -1074.4621   -1067.6392 
-   22200         2.22  0.076457494    1222.5665    207.95995   -10.224493    6.6933523   -1074.3326   -1067.6392 
-   22250        2.225  0.076457542    1202.5195    204.45409   -10.254994    6.5805135   -1074.2197   -1067.6392 
-   22300         2.23  0.076457582    1210.7113    202.41627   -10.292456    6.5149247   -1074.1542   -1067.6392 
-   22350        2.235  0.076457593    1220.7645    201.90137   -10.329195    6.4983524   -1074.1376   -1067.6392 
-   22400         2.24  0.076457607    1234.7446    202.62559    -10.36471     6.521662   -1074.1609   -1067.6392 
-   22450        2.245  0.076457614    1256.0665    204.20591   -10.403554    6.5725258   -1074.2118   -1067.6392 
-   22500         2.25  0.076457647    1289.6179    206.08787    -10.44356    6.6330979   -1074.2723   -1067.6392 
-   22550        2.255  0.076457648    1318.2401    207.71118   -10.483186    6.6853454   -1074.3246   -1067.6392 
-   22600         2.26  0.076457621    1319.5232    208.34289   -10.522979    6.7056776   -1074.3449   -1067.6392 
-   22650        2.265  0.076457589    1316.8506    207.24251   -10.561044     6.670261   -1074.3095   -1067.6392 
-   22700         2.27  0.076457617     1331.642    204.29832   -10.595084    6.5755001   -1074.2147   -1067.6392 
-   22750        2.275  0.076457638    1346.6949    200.13918   -10.622417    6.4416347   -1074.0809   -1067.6392 
-   22800         2.28  0.076457572     1347.787      196.067   -10.645862    6.3105686   -1073.9498   -1067.6392 
-   22850        2.285  0.076457478    1357.3814    193.71126   -10.672581    6.2347474    -1073.874   -1067.6392 
-   22900         2.29  0.076457506    1359.0604    194.23136   -10.704942    6.2514872   -1073.8907   -1067.6392 
-   22950        2.295   0.07645755    1347.1653    197.67464   -10.741957    6.3623116   -1074.0015   -1067.6392 
-   23000          2.3  0.076457564    1321.3672    202.79941   -10.780161    6.5272563   -1074.1665   -1067.6392 
-   23050        2.305  0.076457626    1300.8493     207.8112   -10.812965    6.6885649   -1074.3278   -1067.6392 
-   23100         2.31  0.076457662    1289.7113     211.5894   -10.839288    6.8101691   -1074.4494   -1067.6392 
-   23150        2.315  0.076457654    1266.9494    213.84528    -10.86234    6.8827763    -1074.522   -1067.6392 
-   23200         2.32  0.076457651    1237.4556    214.46793   -10.878861    6.9028167    -1074.542   -1067.6392 
-   23250        2.325  0.076457588    1216.4817    213.53906    -10.88737    6.8729203   -1074.5122   -1067.6392 
-   23300         2.33  0.076457561    1198.6768     211.4015   -10.892244    6.8041213   -1074.4434   -1067.6392 
-   23350        2.335  0.076457617      1218.46    208.62206   -10.896503     6.714663   -1074.3539   -1067.6392 
-   23400         2.34  0.076457697    1274.0141    206.18082   -10.898818    6.6360899   -1074.2753   -1067.6392 
-   23450        2.345  0.076457697    1310.0462    205.39475   -10.899188    6.6107893     -1074.25   -1067.6392 
-   23500         2.35  0.076457625    1309.8688    206.85671   -10.898274    6.6578437   -1074.2971   -1067.6392 
-   23550        2.355  0.076457607    1294.4375    210.05998   -10.904793    6.7609436   -1074.4002   -1067.6392 
-   23600         2.36  0.076457638    1272.3829    213.64213   -10.924411    6.8762376   -1074.5155   -1067.6392 
-   23650        2.365   0.07645764    1263.3834    215.89726   -10.943246    6.9488208   -1074.5881   -1067.6392 
-   23700         2.37    0.0764576    1265.3339    216.28708    -10.95133    6.9613674   -1074.6006   -1067.6392 
-   23750        2.375  0.076457533    1265.7883    215.64775   -10.954658    6.9407901     -1074.58   -1067.6392 
-   23800         2.38  0.076457509     1270.324    215.14847   -10.964811    6.9247203    -1074.564   -1067.6392 
-   23850        2.385  0.076457647    1295.1389    215.59482   -10.992719    6.9390865   -1074.5783   -1067.6392 
-   23900         2.39   0.07645774    1317.1304    216.50299   -11.032267    6.9683166   -1074.6075   -1067.6392 
-   23950        2.395  0.076457678    1323.3993    216.86149    -11.06922    6.9798554   -1074.6191   -1067.6392 
-   24000          2.4  0.076457616    1327.0079    216.51416   -11.098994    6.9686763   -1074.6079   -1067.6392 
-   24050        2.405  0.076457602    1347.1187    215.98329   -11.123989    6.9515898   -1074.5908   -1067.6392 
-   24100         2.41  0.076457633    1373.0058     215.6582   -11.147405    6.9411267   -1074.5804   -1067.6392 
-   24150        2.415  0.076457606    1357.3622    215.33306   -11.168833    6.9306616   -1074.5699   -1067.6392 
-   24200         2.42  0.076457558    1293.9783     214.6673   -11.190176    6.9092338   -1074.5485   -1067.6392 
-   24250        2.425  0.076457575    1262.6983    213.59841   -11.211793    6.8748305   -1074.5141   -1067.6392 
-   24300         2.43  0.076457586    1296.1082    212.60059   -11.234851    6.8427151   -1074.4819   -1067.6392 
-   24350        2.435   0.07645758    1338.5152    212.36533   -11.263922    6.8351428   -1074.4744   -1067.6392 
-   24400         2.44   0.07645762    1359.7328    212.76414   -11.288804     6.847979   -1074.4872   -1067.6392 
-   24450        2.445  0.076457613    1354.6032    213.05104   -11.296422    6.8572131   -1074.4964   -1067.6392 
-   24500         2.45   0.07645752    1340.1858    212.64499   -11.294481    6.8441441   -1074.4834   -1067.6392 
-   24550        2.455   0.07645749    1331.5151    211.50434   -11.306624    6.8074314   -1074.4467   -1067.6392 
-   24600         2.46  0.076457509    1316.1319    209.75998   -11.338874    6.7512878   -1074.3905   -1067.6392 
-   24650        2.465  0.076457501    1303.2352    208.01652   -11.382268    6.6951732   -1074.3344   -1067.6392 
-   24700         2.47  0.076457554    1316.5042    207.54508   -11.432653    6.6799995   -1074.3192   -1067.6392 
-   24750        2.475  0.076457644    1323.4729    209.08952   -11.480943    6.7297085   -1074.3689   -1067.6392 
-   24800         2.48  0.076457563    1316.2449    212.60405   -11.521223    6.8428264   -1074.4821   -1067.6392 
-   24850        2.485  0.076457464     1303.023    217.39017   -11.549403    6.9968714   -1074.6361   -1067.6392 
-   24900         2.49  0.076457476    1306.7431    222.37347   -11.558822    7.1572628   -1074.7965   -1067.6392 
-   24950        2.495   0.07645745    1300.9383    226.66891     -11.5504    7.2955148   -1074.9347   -1067.6392 
-   25000          2.5  0.076457461    1270.8966    229.83334   -11.536542    7.3973644   -1075.0366   -1067.6392 
-   25050        2.505  0.076457456    1266.2646    231.90105   -11.533642    7.4639151   -1075.1031   -1067.6392 
-   25100         2.51  0.076457446    1270.2017    233.06025   -11.547509     7.501225   -1075.1405   -1067.6392 
-   25150        2.515   0.07645757    1231.6171    233.15738    -11.56954    7.5043513   -1075.1436   -1067.6392 
-   25200         2.52  0.076457709    1191.0767    231.73714   -11.589225    7.4586397   -1075.0979   -1067.6392 
-   25250        2.525  0.076457772    1193.1019    228.87762   -11.611584     7.366604   -1075.0058   -1067.6392 
-   25300         2.53  0.076457705    1202.8442    225.48075   -11.647482     7.257273   -1074.8965   -1067.6392 
-   25350        2.535  0.076457601    1201.3602    222.49225   -11.687125    7.1610856   -1074.8003   -1067.6392 
-   25400         2.54  0.076457625    1191.7307    220.47028   -11.711225    7.0960072   -1074.7352   -1067.6392 
-   25450        2.545  0.076457676     1184.558     219.7896    -11.72244     7.074099   -1074.7133   -1067.6392 
-   25500         2.55   0.07645769    1209.0131    220.21101   -11.729634    7.0876623   -1074.7269   -1067.6392 
-   25550        2.555  0.076457694    1252.4527    221.39919   -11.740381    7.1259047   -1074.7651   -1067.6392 
-   25600         2.56  0.076457651    1266.8561    223.37443   -11.758317    7.1894793   -1074.8287   -1067.6392 
-   25650        2.565  0.076457702    1260.0162    226.18443   -11.779767    7.2799214   -1074.9192   -1067.6392 
-   25700         2.57  0.076457766    1258.0807    229.46946   -11.803244    7.3856527   -1075.0249   -1067.6392 
-   25750        2.575    0.0764577    1260.0577    231.96891   -11.827028    7.4660992   -1075.1053   -1067.6392 
-   25800         2.58   0.07645766    1263.5682    232.00397   -11.843175    7.4672278   -1075.1065   -1067.6392 
-   25850        2.585  0.076457679    1267.6331    229.22367   -11.852724    7.3777416    -1075.017   -1067.6392 
-   25900         2.59  0.076457667    1273.4873    224.95936   -11.864844    7.2404915   -1074.8797   -1067.6392 
-   25950        2.595  0.076457638    1259.3238    220.69283   -11.875369    7.1031702   -1074.7424   -1067.6392 
-   26000          2.6   0.07645756    1234.4517    217.53504    -11.87838    7.0015342   -1074.6408   -1067.6392 
-   26050        2.605  0.076457531    1223.5843    216.47883   -11.885283     6.967539   -1074.6068   -1067.6392 
-   26100         2.61  0.076457579    1239.4383     217.6799   -11.906525    7.0061965   -1074.6454   -1067.6392 
-   26150        2.615  0.076457676    1254.9755    220.14626     -11.9364    7.0855781   -1074.7248   -1067.6392 
-   26200         2.62  0.076457691    1263.4276    222.78599    -11.96794      7.17054   -1074.8098   -1067.6392 
-   26250        2.625  0.076457661    1290.9982    225.11879   -12.002676    7.2456229   -1074.8849   -1067.6392 
-   26300         2.63  0.076457625    1320.5003    226.53955   -12.032325    7.2913511   -1074.9306   -1067.6392 
-   26350        2.635  0.076457604    1325.6925    226.42099   -12.045972    7.2875353   -1074.9268   -1067.6392 
-   26400         2.64  0.076457635    1323.8314    225.04813   -12.050265    7.2433489   -1074.8826   -1067.6392 
-   26450        2.645  0.076457683    1337.7763    223.39584   -12.056562    7.1901684   -1074.8294   -1067.6392 
-   26500         2.65  0.076457646      1356.26    222.47285   -12.072437    7.1604612   -1074.7997   -1067.6392 
-   26550        2.655  0.076457593    1368.7452    222.81131   -12.102517    7.1713548   -1074.8106   -1067.6392 
-   26600         2.66  0.076457577    1372.4772     224.2612   -12.136283    7.2180208   -1074.8573   -1067.6392 
-   26650        2.665  0.076457669    1353.1116    226.93203    -12.15666    7.3039835   -1074.9432   -1067.6392 
-   26700         2.67   0.07645782    1296.4345    231.54488   -12.162395    7.4524517   -1075.0917   -1067.6392 
-   26750        2.675   0.07645786     1233.171    238.00107    -12.16795    7.6602491   -1075.2995   -1067.6392 
-   26800         2.68    0.0764578    1205.1226    244.60391    -12.18481    7.8727668    -1075.512   -1067.6392 
-   26850        2.685  0.076457751    1203.9449    249.24116   -12.214765    8.0220202   -1075.6613   -1067.6392 
-   26900         2.69  0.076457871     1220.793    250.32595   -12.247789    8.0569351   -1075.6962   -1067.6392 
-   26950        2.695   0.07645797     1250.922    247.65941   -12.281839    7.9711102   -1075.6103   -1067.6392 
-   27000          2.7  0.076457916    1272.2527    242.25891   -12.319204    7.7972911   -1075.4365   -1067.6392 
-   27050        2.705  0.076457909    1260.7801     235.6016    -12.35094    7.5830204   -1075.2223   -1067.6392 
-   27100         2.71  0.076457849    1229.7859    229.49227   -12.367756    7.3863867   -1075.0256   -1067.6392 
-   27150        2.715  0.076457776    1230.1984    225.87326    -12.37385    7.2699062   -1074.9091   -1067.6392 
-   27200         2.72  0.076457788    1256.5205    226.01981   -12.383103    7.2746231   -1074.9139   -1067.6392 
-   27250        2.725  0.076457742     1269.109    229.57592   -12.401772    7.3890791   -1075.0283   -1067.6392 
-   27300         2.73  0.076457757    1278.2216    234.37745    -12.41951    7.5436201   -1075.1829   -1067.6392 
-   27350        2.735  0.076457815    1281.9146    237.72622   -12.426299     7.651403   -1075.2906   -1067.6392 
-   27400         2.74  0.076457895    1266.5327    238.04161   -12.428658    7.6615539   -1075.3008   -1067.6392 
-   27450        2.745  0.076457976    1238.9201    235.37217   -12.441314    7.5756359   -1075.2149   -1067.6392 
-   27500         2.75  0.076457843    1230.4481    230.70667   -12.466737    7.4254733   -1075.0647   -1067.6392 
-   27550        2.755  0.076457656    1236.7255    225.51713   -12.497899    7.2584439   -1074.8977   -1067.6392 
-   27600         2.76   0.07645776      1238.11    221.28548    -12.52521    7.1222449   -1074.7615   -1067.6392 
-   27650        2.765  0.076457889    1218.4037    219.08795   -12.543581    7.0515156   -1074.6907   -1067.6392 
-   27700         2.77  0.076457882    1198.4777    219.33613   -12.554891    7.0595037   -1074.6987   -1067.6392 
-   27750        2.775  0.076457863     1183.089    221.96976   -12.561518     7.144269   -1074.7835   -1067.6392 
-   27800         2.78  0.076457885      1169.37    227.37353   -12.573341    7.3181935   -1074.9574   -1067.6392 
-   27850        2.785  0.076457897    1169.7411    235.91312   -12.602269    7.5930469   -1075.2323   -1067.6392 
-   27900         2.79  0.076457851    1151.3464    246.28711   -12.644365    7.9269419   -1075.5662   -1067.6392 
-   27950        2.795  0.076457843    1106.9771    255.46726   -12.682364    8.2224121   -1075.8616   -1067.6392 
-   28000          2.8  0.076457826    1068.9543    260.54346    -12.70329    8.3857935    -1076.025   -1067.6392 
-   28050        2.805  0.076457783    1046.8631    260.38287   -12.707616    8.3806246   -1076.0199   -1067.6392 
-   28100         2.81  0.076457851    1035.4028    255.75262   -12.701329    8.2315965   -1075.8708   -1067.6392 
-   28150        2.815  0.076457914    1039.8478    248.80323   -12.698053    8.0079252   -1075.6472   -1067.6392 
-   28200         2.82  0.076457945    1077.5288    241.99763   -12.714207    7.7888815   -1075.4281   -1067.6392 
-   28250        2.825  0.076457907    1106.7726     236.8129   -12.748192    7.6220071   -1075.2612   -1067.6392 
-   28300         2.83  0.076457858    1088.3383    233.07492   -12.770565     7.501697   -1075.1409   -1067.6392 
-   28350        2.835  0.076457962    1067.6408     230.2341   -12.762291    7.4102632   -1075.0495   -1067.6392 
-   28400         2.84  0.076458053    1085.7765    228.74782   -12.741859     7.362426   -1075.0017   -1067.6392 
-   28450        2.845  0.076458069    1116.0156    229.35012   -12.732966    7.3818115    -1075.021   -1067.6392 
-   28500         2.85   0.07645799    1140.0561    231.95241   -12.737452    7.4655684   -1075.1048   -1067.6392 
-   28550        2.855  0.076457881    1175.3679    235.63809   -12.744967    7.5841948   -1075.2234   -1067.6392 
-   28600         2.86  0.076457945    1191.5122    239.06582   -12.744692    7.6945191   -1075.3338   -1067.6392 
-   28650        2.865  0.076458033    1165.8181     241.0619   -12.730571    7.7587645    -1075.398   -1067.6392 
-   28700         2.87  0.076458003    1144.2872    241.42924   -12.708938    7.7705875   -1075.4098   -1067.6392 
-   28750        2.875  0.076457916    1156.9296    241.00794    -12.69273    7.7570275   -1075.3963   -1067.6392 
-   28800         2.88  0.076457978    1169.6062    241.01439   -12.691343    7.7572351   -1075.3965   -1067.6392 
-   28850        2.885  0.076458067    1153.2461    242.11608   -12.703125    7.7926941   -1075.4319   -1067.6392 
-   28900         2.89  0.076458128    1137.1648    244.24646   -12.730476    7.8612619   -1075.5005   -1067.6392 
-   28950        2.895  0.076458132    1144.0676    245.87591   -12.765806    7.9137071   -1075.5529   -1067.6392 
-   29000          2.9  0.076458055    1166.7003    244.81325   -12.786467    7.8795045   -1075.5187   -1067.6392 
-   29050        2.905  0.076458115     1201.626    240.80417   -12.786117    7.7504692   -1075.3897   -1067.6392 
-   29100         2.91  0.076458234    1227.2794    235.81398   -12.775018    7.5898561   -1075.2291   -1067.6392 
-   29150        2.915  0.076458217    1233.5955    232.10337   -12.761015     7.470427   -1075.1097   -1067.6392 
-   29200         2.92  0.076458111    1222.4273    231.10647   -12.757278    7.4383412   -1075.0776   -1067.6392 
-   29250        2.925  0.076458074    1212.9521    232.98759   -12.778062    7.4988864   -1075.1381   -1067.6392 
-   29300         2.93  0.076458082    1220.2844    236.56821   -12.814589    7.6141315   -1075.2534   -1067.6392 
-   29350        2.935  0.076458085    1197.6267    240.71244   -12.847172    7.7475166   -1075.3867   -1067.6392 
-   29400         2.94  0.076458174    1166.2296     245.3581   -12.871897    7.8970407   -1075.5363   -1067.6392 
-   29450        2.945    0.0764582    1162.6548    250.15917   -12.892997    8.0515671   -1075.6908   -1067.6392 
-   29500         2.95  0.076458192    1166.7685    253.39653   -12.905195    8.1557639    -1075.795   -1067.6392 
-   29550        2.955  0.076458187    1155.8258    253.69254   -12.906863    8.1652912   -1075.8045   -1067.6392 
-   29600         2.96  0.076458159    1155.2633    251.58259   -12.911192    8.0973809   -1075.7366   -1067.6392 
-   29650        2.965  0.076458142    1187.0841      248.958    -12.92707    8.0129065   -1075.6521   -1067.6392 
-   29700         2.97  0.076458107    1216.9951    247.40312   -12.945328    7.9628616   -1075.6021   -1067.6392 
-   29750        2.975  0.076458054    1194.8857    246.85295   -12.955382    7.9451538   -1075.5844   -1067.6392 
-   29800         2.98  0.076458024    1170.1087    246.10026   -12.960888    7.9209279   -1075.5602   -1067.6392 
-   29850        2.985  0.076458073    1169.1596    244.20885   -12.971119    7.8600515   -1075.4993   -1067.6392 
-   29900         2.99  0.076458181    1160.4286    240.86241   -12.984094    7.7523436   -1075.3916   -1067.6392 
-   29950        2.995  0.076458232    1131.8843    236.46352   -12.994209    7.6107619     -1075.25   -1067.6392 
-   30000            3  0.076458157    1094.5416    232.18947     -13.0017    7.4731984   -1075.1124   -1067.6392 
-   30050        3.005  0.076458011    1065.8494    229.55114   -13.006404    7.3882816   -1075.0275   -1067.6392 
-   30100         3.01  0.076458026    1061.4657    229.77899   -13.012924    7.3956153   -1075.0348   -1067.6392 
-   30150        3.015  0.076458159    1064.4309    232.81858   -13.028261    7.4934467   -1075.1327   -1067.6392 
-   30200         3.02  0.076458266    1064.5403    237.18963   -13.051358    7.6341323   -1075.2734   -1067.6392 
-   30250        3.025  0.076458254     1077.435     241.1768    -13.07564    7.7624624   -1075.4017   -1067.6392 
-   30300         3.03  0.076458129    1120.7955    244.00429   -13.099282    7.8534675   -1075.4927   -1067.6392 
-   30350        3.035  0.076458123    1166.6115    245.76237   -13.120127    7.9100525   -1075.5493   -1067.6392 
-   30400         3.04  0.076458222    1186.7887    246.73143    -13.12997    7.9412425   -1075.5805   -1067.6392 
-   30450        3.045  0.076458192    1210.3729     247.3058   -13.131142    7.9597292    -1075.599   -1067.6392 
-   30500         3.05  0.076458205    1226.7005    247.41892   -13.129466    7.9633701   -1075.6026   -1067.6392 
-   30550        3.055  0.076458239    1218.1054    246.53578   -13.123602    7.9349454   -1075.5742   -1067.6392 
-   30600         3.06  0.076458222    1213.5049    244.89144   -13.119076     7.882021   -1075.5213   -1067.6392 
-   30650        3.065  0.076458209     1197.742    243.51998   -13.124172    7.8378794   -1075.4771   -1067.6392 
-   30700         3.07  0.076458217    1173.0375    243.32265   -13.142559    7.8315283   -1075.4708   -1067.6392 
-   30750        3.075  0.076458232    1174.7744     244.4044   -13.175375    7.8663454   -1075.5056   -1067.6392 
-   30800         3.08  0.076458215    1182.8312    245.99614   -13.218442    7.9175767   -1075.5568   -1067.6392 
-   30850        3.085  0.076458183      1183.66    247.03526   -13.258527    7.9510216   -1075.5903   -1067.6392 
-   30900         3.09  0.076458319     1177.992     247.2078   -13.284596    7.9565748   -1075.5958   -1067.6392 
-   30950        3.095  0.076458373    1176.7211    247.34132   -13.301899    7.9608722   -1075.6001   -1067.6392 
-   31000          3.1  0.076458253    1164.7417    248.53603   -13.327025    7.9993251   -1075.6386   -1067.6392 
-   31050        3.105  0.076458217    1128.9001    250.94808   -13.365858    8.0769586   -1075.7162   -1067.6392 
-   31100         3.11  0.076458294    1092.9077    253.74162   -13.407353    8.1668708   -1075.8061   -1067.6392 
-   31150        3.115  0.076458358    1079.4871    256.46396   -13.445278    8.2544917   -1075.8937   -1067.6392 
-   31200         3.12  0.076458421    1088.7747    259.60213   -13.488098    8.3554961   -1075.9947   -1067.6392 
-   31250        3.125   0.07645843    1133.6001      263.188   -13.540135      8.47091   -1076.1101   -1067.6392 
-   31300         3.13  0.076458393    1192.6693    265.96082   -13.591815    8.5601553   -1076.1994   -1067.6392 
-   31350        3.135  0.076458398    1206.7015    266.41337   -13.631689    8.5747211    -1076.214   -1067.6392 
-   31400         3.14   0.07645845    1184.8303    264.21376   -13.660682    8.5039248   -1076.1432   -1067.6392 
-   31450        3.145   0.07645848    1183.6347    260.39213   -13.689676     8.380923   -1076.0202   -1067.6392 
-   31500         3.15  0.076458598    1199.1745    256.21199   -13.723387    8.2463816   -1075.8856   -1067.6392 
-   31550        3.155  0.076458602    1226.3861    252.38445   -13.753029    8.1231895   -1075.7624   -1067.6392 
-   31600         3.16  0.076458505    1232.7936    249.62393   -13.772372    8.0343401   -1075.6736   -1067.6392 
-   31650        3.165  0.076458472    1194.1646    248.63142    -13.78451    8.0023952   -1075.6416   -1067.6392 
-   31700         3.17  0.076458402    1135.0204    248.67712   -13.784757    8.0038662   -1075.6431   -1067.6392 
-   31750        3.175  0.076458444    1088.5207     248.0804   -13.772118    7.9846602   -1075.6239   -1067.6392 
-   31800         3.18  0.076458483    1079.5555    246.27927   -13.761932    7.9266895   -1075.5659   -1067.6392 
-   31850        3.185  0.076458412    1103.2185     244.3339   -13.766697    7.8640762   -1075.5033   -1067.6392 
-   31900         3.19   0.07645842    1120.0872     243.8787   -13.782801    7.8494252   -1075.4887   -1067.6392 
-   31950        3.195  0.076458479    1119.4512    245.95725   -13.799444    7.9163248   -1075.5556   -1067.6392 
-   32000          3.2   0.07645851    1092.4855    250.30658   -13.803665    8.0563117   -1075.6955   -1067.6392 
-   32050        3.205  0.076458415     1067.424    255.82203   -13.785579    8.2338307   -1075.8731   -1067.6392 
-   32100         3.21  0.076458345    1068.4429    261.44517   -13.748535    8.4148156    -1076.054   -1067.6392 
-   32150        3.215   0.07645841    1080.7046    266.36957   -13.713453    8.5733114   -1076.2125   -1067.6392 
-   32200         3.22  0.076458507    1092.5849    269.83978   -13.708135    8.6850028   -1076.3242   -1067.6392 
-   32250        3.225  0.076458535    1099.8414     270.7057    -13.73358    8.7128731   -1076.3521   -1067.6392 
-   32300         3.23  0.076458534    1114.7135    268.29144   -13.763677    8.6351683   -1076.2744   -1067.6392 
-   32350        3.235  0.076458458    1109.1702    263.87403   -13.783235    8.4929906   -1076.1322   -1067.6392 
-   32400         3.24   0.07645842    1084.0276    259.90176   -13.803644      8.36514   -1076.0044   -1067.6392 
-   32450        3.245  0.076458464    1083.1937    257.32785   -13.835634    8.2822966   -1075.9215   -1067.6392 
-   32500         3.25   0.07645845    1114.4646    255.14878   -13.870961    8.2121616   -1075.8514   -1067.6392 
-   32550        3.255  0.076458381    1152.8289     252.6422   -13.897547    8.1314852   -1075.7707   -1067.6392 
-   32600         3.26  0.076458468     1177.486    250.67802   -13.912211    8.0682668   -1075.7075   -1067.6392 
-   32650        3.265  0.076458565    1185.3078    250.60277   -13.918256    8.0658447   -1075.7051   -1067.6392 
-   32700         3.27  0.076458542    1191.2786     252.7908   -13.926328     8.136268   -1075.7755   -1067.6392 
-   32750        3.275  0.076458529    1180.3288     256.6616   -13.948559    8.2608527   -1075.9001   -1067.6392 
-   32800         3.28  0.076458451    1153.7783    261.08347   -13.985264    8.4031741   -1076.0424   -1067.6392 
-   32850        3.285  0.076458392    1133.2496    264.84942   -14.024763    8.5243841   -1076.1636   -1067.6392 
-   32900         3.29  0.076458438    1115.3658    267.38276   -14.053439    8.6059217   -1076.2452   -1067.6392 
-   32950        3.295  0.076458471     1127.683    269.00733   -14.070131    8.6582097   -1076.2974   -1067.6392 
-   33000          3.3  0.076458479    1149.7773    269.98003   -14.072925    8.6895169   -1076.3287   -1067.6392 
-   33050        3.305  0.076458432    1151.5261    270.25086   -14.062159    8.6982337   -1076.3375   -1067.6392 
-   33100         3.31  0.076458345     1155.116    269.80119   -14.049957    8.6837609    -1076.323   -1067.6392 
-   33150        3.315  0.076458436      1135.61    268.22847   -14.036071    8.6331415   -1076.2724   -1067.6392 
-   33200         3.32  0.076458577     1111.738    265.73519   -14.027508    8.5528932   -1076.1921   -1067.6392 
-   33250        3.325  0.076458535    1116.9245    263.26799   -14.038682    8.4734846   -1076.1127   -1067.6392 
-   33300         3.33  0.076458501    1131.8225    261.47169   -14.068281    8.4156693   -1076.0549   -1067.6392 
-   33350        3.335  0.076458475    1120.8199    260.14815   -14.108099    8.3730701   -1076.0123   -1067.6392 
-   33400         3.34  0.076458435    1094.4035    258.29932   -14.149771    8.3135641   -1075.9528   -1067.6392 
-   33450        3.345  0.076458459    1082.1878    255.19265   -14.184258    8.2135735   -1075.8528   -1067.6392 
-   33500         3.35  0.076458528    1083.2242    251.14433   -14.202792    8.0832751   -1075.7225   -1067.6392 
-   33550        3.355  0.076458529    1103.4532    247.60346   -14.210592    7.9693094   -1075.6085   -1067.6392 
-   33600         3.36  0.076458486    1137.7183    246.24059   -14.222506    7.9254445   -1075.5647   -1067.6392 
-   33650        3.365  0.076458516    1150.4421    247.37214   -14.233399    7.9618644   -1075.6011   -1067.6392 
-   33700         3.37  0.076458507    1143.7496    250.70305   -14.237383    8.0690723   -1075.7083   -1067.6392 
-   33750        3.375  0.076458425    1135.9529    256.43973    -14.24743    8.2537116   -1075.8929   -1067.6392 
-   33800         3.38  0.076458392    1126.2288    264.31662   -14.271937    8.5072354   -1076.1465   -1067.6392 
-   33850        3.385   0.07645848    1105.1309    272.68103   -14.305504    8.7764506   -1076.4157   -1067.6392 
-   33900         3.39  0.076458564    1085.1215     279.2817   -14.345574    8.9888984   -1076.6281   -1067.6392 
-   33950        3.395  0.076458555    1076.9206    282.71636   -14.394902    9.0994454   -1076.7387   -1067.6392 
-   34000          3.4  0.076458512    1086.4333    282.84295   -14.446959      9.10352   -1076.7428   -1067.6392 
-   34050        3.405   0.07645848    1099.4638    280.63434   -14.486843    9.0324339   -1076.6717   -1067.6392 
-   34100         3.41  0.076458382     1093.368    278.40903   -14.515246    8.9608108      -1076.6   -1067.6392 
-   34150        3.415  0.076458423    1088.8094    278.43798   -14.545814    8.9617425    -1076.601   -1067.6392 
-   34200         3.42  0.076458529    1070.3036    280.46333   -14.587151    9.0269298   -1076.6662   -1067.6392 
-   34250        3.425  0.076458454    1052.8089    281.70843   -14.639127    9.0670046   -1076.7062   -1067.6392 
-   34300         3.43  0.076458324    1067.0859    279.60749   -14.693017    8.9993839   -1076.6386   -1067.6392 
-   34350        3.435   0.07645844    1078.4994    274.06548   -14.735218    8.8210102   -1076.4602   -1067.6392 
-   34400         3.44  0.076458576     1065.194    267.45347     -14.7594    8.6081974   -1076.2474   -1067.6392 
-   34450        3.445  0.076458493    1044.6764     262.6287   -14.769981    8.4529085   -1076.0921   -1067.6392 
-   34500         3.45  0.076458493    1031.1327    261.22703   -14.778334    8.4077947    -1076.047   -1067.6392 
-   34550        3.455  0.076458662    1001.3241     263.2628   -14.787349    8.4733177   -1076.1125   -1067.6392 
-   34600         3.46  0.076458744    972.94591    267.72772   -14.797072    8.6170244   -1076.2563   -1067.6392 
-   34650        3.465  0.076458639    990.70544    272.38909   -14.802726    8.7670542   -1076.4063   -1067.6392 
-   34700         3.47    0.0764585    1025.1974    274.74718   -14.798109    8.8429511   -1076.4822   -1067.6392 
-   34750        3.475  0.076458513    1061.0651    274.45565   -14.798547    8.8335681   -1076.4728   -1067.6392 
-   34800         3.48  0.076458471     1123.989    273.19344   -14.824615    8.7929427   -1076.4322   -1067.6392 
-   34850        3.485   0.07645842    1192.2777    272.33238   -14.868829    8.7652289   -1076.4045   -1067.6392 
-   34900         3.49  0.076458595    1219.3889     271.4554    -14.89476    8.7370026   -1076.3762   -1067.6392 
-   34950        3.495  0.076458742    1206.5159    270.21752   -14.898336    8.6971606   -1076.3364   -1067.6392 
-   35000          3.5  0.076458628    1197.9968    269.40678   -14.907691    8.6710664   -1076.3103   -1067.6392 
-   35050        3.505  0.076458539    1199.2614    270.09068   -14.937895    8.6930781   -1076.3323   -1067.6392 
-   35100         3.51  0.076458542    1195.6006    272.66182   -14.979789    8.7758322   -1076.4151   -1067.6392 
-   35150        3.515  0.076458532    1184.1758    276.31503   -15.015192    8.8934136   -1076.5326   -1067.6392 
-   35200         3.52  0.076458506    1177.2232    279.44786    -15.03426    8.9942462   -1076.6335   -1067.6392 
-   35250        3.525  0.076458498     1165.906    281.04835   -15.043888    9.0457593    -1076.685   -1067.6392 
-   35300         3.53  0.076458547    1122.7378    281.23471    -15.05217    9.0517575    -1076.691   -1067.6392 
-   35350        3.535   0.07645859    1089.1258    281.40192   -15.068688    9.0571393   -1076.6964   -1067.6392 
-   35400         3.54  0.076458581    1071.6628    283.20912   -15.098467    9.1153054   -1076.7545   -1067.6392 
-   35450        3.545  0.076458561    1061.0287     286.5938   -15.126471     9.224244   -1076.8635   -1067.6392 
-   35500         3.55  0.076458577    1073.4644    290.07888   -15.144262     9.336414   -1076.9756   -1067.6392 
-   35550        3.555  0.076458498    1108.9235    291.84501   -15.154818    9.3932582   -1077.0325   -1067.6392 
-   35600         3.56  0.076458531    1144.2606    290.86582   -15.170369    9.3617421    -1077.001   -1067.6392 
-   35650        3.565  0.076458588    1167.6046    287.19918   -15.196185    9.2437284    -1076.883   -1067.6392 
-   35700         3.57   0.07645856    1179.6333    282.11602   -15.229568    9.0801229   -1076.7194   -1067.6392 
-   35750        3.575  0.076458589    1168.0753    277.29692   -15.269679    8.9250164   -1076.5642   -1067.6392 
-   35800         3.58  0.076458495    1150.8477    273.36789   -15.307138    8.7985576   -1076.4378   -1067.6392 
-   35850        3.585  0.076458358    1134.8391    270.61841   -15.336424    8.7100634   -1076.3493   -1067.6392 
-   35900         3.59  0.076458438    1131.4083    269.61936   -15.365921    8.6779085   -1076.3171   -1067.6392 
-   35950        3.595  0.076458656    1156.3165    270.44071   -15.401487     8.704344   -1076.3436   -1067.6392 
-   36000          3.6  0.076458662    1183.5929    272.83276   -15.446386    8.7813341   -1076.4206   -1067.6392 
-   36050        3.605  0.076458511    1175.8081    276.36312   -15.497044    8.8949617   -1076.5342   -1067.6392 
-   36100         3.61  0.076458487    1137.1434    280.08603   -15.537522    9.0147862    -1076.654   -1067.6392 
-   36150        3.615  0.076458492    1123.4073     282.9067   -15.557122    9.1055719   -1076.7448   -1067.6392 
-   36200         3.62  0.076458546    1127.9754    284.11149   -15.565186    9.1443489   -1076.7836   -1067.6392 
-   36250        3.625  0.076458599    1122.4255    283.84703   -15.578297    9.1358371   -1076.7751   -1067.6392 
-   36300         3.63   0.07645858     1122.041    283.02913   -15.596263    9.1095122   -1076.7487   -1067.6392 
-   36350        3.635  0.076458589    1127.0768     282.3869   -15.600033    9.0888416   -1076.7281   -1067.6392 
-   36400         3.64   0.07645861    1130.6907    282.23737   -15.584507    9.0840287   -1076.7233   -1067.6392 
-   36450        3.645  0.076458646    1150.3415    282.27709   -15.560741    9.0853074   -1076.7245   -1067.6392 
-   36500         3.65  0.076458621    1161.8202    282.18974   -15.546059    9.0824956   -1076.7217   -1067.6392 
-   36550        3.655  0.076458506     1140.503    282.57893     -15.5606    9.0950221   -1076.7343   -1067.6392 
-   36600         3.66   0.07645853    1126.9511    283.97898   -15.602756    9.1400839   -1076.7793   -1067.6392 
-   36650        3.665  0.076458682    1117.8456    286.05487   -15.646548    9.2068979   -1076.8461   -1067.6392 
-   36700         3.67  0.076458755    1118.3433    288.56573   -15.675811    9.2877121   -1076.9269   -1067.6392 
-   36750        3.675  0.076458745    1135.4181    291.29108   -15.685173    9.3754294   -1077.0147   -1067.6392 
-   36800         3.68  0.076458756    1121.3092     293.8519   -15.677476    9.4578516   -1077.0971   -1067.6392 
-   36850        3.685  0.076458796    1089.7128    296.34944   -15.680319    9.5382369   -1077.1775   -1067.6392 
-   36900         3.69  0.076458813    1078.8527    298.59269   -15.709588    9.6104374   -1077.2497   -1067.6392 
-   36950        3.695  0.076458823    1068.4725    300.08588   -15.752456    9.6584969   -1077.2977   -1067.6392 
-   37000          3.7   0.07645894    1065.6302    300.97074   -15.794642    9.6869768   -1077.3262   -1067.6392 
-   37050        3.705  0.076458928    1060.1083    301.92719   -15.834491    9.7177609    -1077.357   -1067.6392 
-   37100         3.71  0.076458812    1062.0442    303.02051   -15.872538    9.7529504   -1077.3922   -1067.6392 
-   37150        3.715  0.076458776    1077.0906    303.12539   -15.902945     9.756326   -1077.3956   -1067.6392 
-   37200         3.72  0.076458783    1094.3589    300.82035   -15.918455    9.6821365   -1077.3214   -1067.6392 
-   37250        3.725  0.076458796     1106.983    295.78025   -15.917907     9.519917   -1077.1592   -1067.6392 
-   37300         3.73    0.0764587    1117.8928    288.74175   -15.902363    9.2933774   -1076.9326   -1067.6392 
-   37350        3.735  0.076458595     1115.003    281.03285   -15.877976    9.0452603   -1076.6845   -1067.6392 
-   37400         3.74  0.076458589    1067.6392    274.76086   -15.863011    8.8433914   -1076.4826   -1067.6392 
-   37450        3.745  0.076458768    1025.0964    271.80953    -15.86958    8.7484006   -1076.3876   -1067.6392 
-   37500         3.75  0.076458888    1008.1779    272.35831   -15.896126    8.7660636   -1076.4053   -1067.6392 
-   37550        3.755  0.076458753    1006.7337    275.07578   -15.933997    8.8535276   -1076.4928   -1067.6392 
-   37600         3.76   0.07645857    1015.7845    279.29514   -15.983502    8.9893309   -1076.6286   -1067.6392 
-   37650        3.765  0.076458646    1037.2238    285.21821   -16.044625    9.1799695   -1076.8192   -1067.6392 
-   37700         3.77  0.076458804     1064.362    291.89353   -16.093253    9.3948198   -1077.0341   -1067.6392 
-   37750        3.775  0.076458938    1093.2339    297.54927   -16.113154    9.5768541   -1077.2161   -1067.6392 
-   37800         3.78  0.076459003    1111.3525    301.09404   -16.115824    9.6909453   -1077.3302   -1067.6392 
-   37850        3.785  0.076458993    1106.8732    302.49314   -16.121107    9.7359763   -1077.3752   -1067.6392 
-   37900         3.79  0.076458927    1063.9114    302.20192   -16.138918    9.7266034   -1077.3658   -1067.6392 
-   37950        3.795  0.076458914    1026.1339    300.74509   -16.166089     9.679714   -1077.3189   -1067.6392 
-   38000          3.8  0.076458899    1031.7602    298.64261    -16.19177    9.6120443   -1077.2513   -1067.6392 
-   38050        3.805  0.076458867    1069.7247    296.45336   -16.206246    9.5415814   -1077.1808   -1067.6392 
-   38100         3.81  0.076458911    1107.4666     295.0445   -16.217521    9.4962363   -1077.1355   -1067.6392 
-   38150        3.815  0.076458901    1131.7783    294.91865   -16.235949    9.4921858   -1077.1314   -1067.6392 
-   38200         3.82  0.076458864    1148.5656    295.74562   -16.253565    9.5188023    -1077.158   -1067.6392 
-   38250        3.825  0.076458822    1148.7391    297.07753   -16.259815    9.5616709   -1077.2009   -1067.6392 
-   38300         3.83  0.076458755    1156.7033    299.00407   -16.260728     9.623678   -1077.2629   -1067.6392 
-   38350        3.835  0.076458804    1159.1829    301.28024   -16.263754    9.6969383   -1077.3362   -1067.6392 
-   38400         3.84  0.076458983    1147.0294    302.84565   -16.273506    9.7473221   -1077.3866   -1067.6392 
-   38450        3.845  0.076458991    1136.4112    302.27164   -16.282019    9.7288474   -1077.3681   -1067.6392 
-   38500         3.85   0.07645888    1113.9868    298.97061   -16.274402    9.6226012   -1077.2618   -1067.6392 
-   38550        3.855  0.076458691     1101.738    294.06527   -16.251341     9.464719    -1077.104   -1067.6392 
-   38600         3.86  0.076458665    1085.4951    289.46444   -16.218831    9.3166378   -1076.9559   -1067.6392 
-   38650        3.865   0.07645876    1061.2109    287.27235   -16.190308    9.2460835   -1076.8853   -1067.6392 
-   38700         3.87  0.076458765     1055.773    288.81749   -16.176864    9.2958149    -1076.935   -1067.6392 
-   38750        3.875  0.076458766     1051.082    293.80099   -16.177139    9.4562127   -1077.0954   -1067.6392 
-   38800         3.88  0.076458791    1034.9231    300.50343   -16.186889    9.6719362   -1077.3112   -1067.6392 
-   38850        3.885  0.076458765    1027.5343    306.11666   -16.197928    9.8526023   -1077.4918   -1067.6392 
-   38900         3.89  0.076458838    1018.2888    308.22875   -16.207065    9.9205815   -1077.5598   -1067.6392 
-   38950        3.895  0.076458884    1014.4073    306.63445   -16.226798    9.8692679   -1077.5085   -1067.6392 
-   39000          3.9  0.076458788    1003.5264    302.69876   -16.256287    9.7425945   -1077.3818   -1067.6392 
-   39050        3.905  0.076458731    996.07885     298.3808   -16.280659    9.6036175   -1077.2428   -1067.6392 
-   39100         3.91  0.076458769    1027.0513    295.40443   -16.293344    9.5078209   -1077.1471   -1067.6392 
-   39150        3.915  0.076458854    1072.3569    294.24208   -16.298011    9.4704097   -1077.1096   -1067.6392 
-   39200         3.92   0.07645888    1080.7481    294.38216   -16.312666    9.4749184   -1077.1142   -1067.6392 
-   39250        3.925  0.076458798    1074.2137    294.25738    -16.34058    9.4709023   -1077.1101   -1067.6392 
-   39300         3.93  0.076458746    1072.9308    292.45791   -16.371754    9.4129849   -1077.0522   -1067.6392 
-   39350        3.935  0.076458686     1052.258    289.46155    -16.40727    9.3165447   -1076.9558   -1067.6392 
-   39400         3.94  0.076458677    1011.4712    286.99005   -16.441308    9.2369974   -1076.8762   -1067.6392 
-   39450        3.945  0.076458657    968.89107    287.00247    -16.46678    9.2373973   -1076.8766   -1067.6392 
-   39500         3.95  0.076458611    967.37752    290.38424    -16.48508     9.346242   -1076.9855   -1067.6392 
-   39550        3.955  0.076458569    982.34862    295.78407   -16.492955    9.5200397   -1077.1593   -1067.6392 
-   39600         3.96  0.076458595     978.6948    301.01012   -16.490336    9.6882442   -1077.3275   -1067.6392 
-   39650        3.965  0.076458753    981.93177    304.90328   -16.481839    9.8135487   -1077.4528   -1067.6392 
-   39700         3.97  0.076458768     1019.382    308.08081   -16.477585    9.9158201   -1077.5551   -1067.6392 
-   39750        3.975  0.076458612    1051.8152    311.88767   -16.490813    10.038347   -1077.6776   -1067.6392 
-   39800         3.98  0.076458521    1042.8378    316.19618   -16.511509    10.177019   -1077.8163   -1067.6392 
-   39850        3.985  0.076458483     1001.149    319.35878   -16.519321     10.27881    -1077.918   -1067.6392 
-   39900         3.99  0.076458542     973.4915     319.4656   -16.514459    10.282248   -1077.9215   -1067.6392 
-   39950        3.995  0.076458719    972.67572    315.26025    -16.50944    10.146896   -1077.7861   -1067.6392 
-   40000            4  0.076458687    994.49843    307.54177   -16.514066    9.8984707   -1077.5377   -1067.6392 
-   40050        4.005  0.076458609    1020.1483    299.32861   -16.525567    9.6341236   -1077.2734   -1067.6392 
-   40100         4.01  0.076458534    1028.6046    293.95707   -16.536961    9.4612366   -1077.1005   -1067.6392 
-   40150        4.015  0.076458539     1021.124    292.82994    -16.54357     9.424959   -1077.0642   -1067.6392 
-   40200         4.02  0.076458617    1003.8564    295.01881   -16.539479    9.4954094   -1077.1346   -1067.6392 
-   40250        4.025  0.076458708    1006.3834    298.32236   -16.525081    9.6017365    -1077.241   -1067.6392 
-   40300         4.03  0.076458753    1049.8514    300.72691   -16.515775    9.6791289   -1077.3184   -1067.6392 
-   40350        4.035  0.076458712    1095.1887    301.23959   -16.528202    9.6956299   -1077.3349   -1067.6392 
-   40400         4.04   0.07645859    1095.7277    299.27704   -16.553461    9.6324637   -1077.2717   -1067.6392 
-   40450        4.045  0.076458512    1074.8132     294.7824   -16.567973    9.4878003    -1077.127   -1067.6392 
-   40500         4.05  0.076458607    1054.9582    288.94001   -16.563212    9.2997586    -1076.939   -1067.6392 
-   40550        4.055  0.076458679    1033.1657    283.78395   -16.555924    9.1338066    -1076.773   -1067.6392 
-   40600         4.06   0.07645866    1029.0046    281.14635   -16.566778    9.0489136   -1076.6881   -1067.6392 
-   40650        4.065  0.076458604    1026.6036     282.2669   -16.593805    9.0849793   -1076.7242   -1067.6392 
-   40700         4.07  0.076458581    1024.2464    287.64133   -16.619273    9.2579595   -1076.8972   -1067.6392 
-   40750        4.075  0.076458663    1014.2573    296.48178   -16.635414    9.5424961   -1077.1817   -1067.6392 
-   40800         4.08  0.076458634    1003.9119    306.29768   -16.644226    9.8584286   -1077.4977   -1067.6392 
-   40850        4.085  0.076458596    997.14687     313.7758   -16.644922    10.099118   -1077.7384   -1067.6392 
-   40900         4.09  0.076458698    1003.6464    316.62645   -16.638874    10.190868   -1077.8301   -1067.6392 
-   40950        4.095  0.076458737    1009.5074    314.15339   -16.626746    10.111271   -1077.7505   -1067.6392 
-   41000          4.1  0.076458626    990.49508    306.88333   -16.607056     9.877278   -1077.5165   -1067.6392 
-   41050        4.105  0.076458539    1003.9156    296.82556   -16.581033    9.5535609   -1077.1928   -1067.6392 
-   41100         4.11  0.076458624    1025.7889    287.94279   -16.555411    9.2676623   -1076.9069   -1067.6392 
-   41150        4.115  0.076458727    1019.8472    284.75687   -16.545411    9.1651209   -1076.8043   -1067.6392 
-   41200         4.12  0.076458658    1009.1747     288.8934   -16.556045    9.2982584   -1076.9375   -1067.6392 
-   41250        4.125  0.076458476    986.14702    297.74613   -16.573101    9.5831902   -1077.2224   -1067.6392 
-   41300         4.13  0.076458533    970.56183    307.17123   -16.586828    9.8865443   -1077.5258   -1067.6392 
-   41350        4.135  0.076458666    982.32883    313.98696   -16.593184    10.105914   -1077.7451   -1067.6392 
-   41400         4.14  0.076458558    998.00634    316.68471   -16.585096    10.192743    -1077.832   -1067.6392 
-   41450        4.145  0.076458375    988.08432    315.93321   -16.578349    10.168555   -1077.8078   -1067.6392 
-   41500         4.15  0.076458387    968.13272    312.86745   -16.587207    10.069882   -1077.7091   -1067.6392 
-   41550        4.155   0.07645851    962.22331    308.01319    -16.60083    9.9136436   -1077.5529   -1067.6392 
-   41600         4.16  0.076458592    977.28521      302.567    -16.60995    9.7383536   -1077.3776   -1067.6392 
-   41650        4.165  0.076458508    989.72477    297.98726   -16.609001    9.5909514   -1077.2302   -1067.6392 
-   41700         4.17  0.076458343    1002.0807    295.07216   -16.600686    9.4971264   -1077.1364   -1067.6392 
-   41750        4.175  0.076458382    1016.3945    293.91041   -16.584772    9.4597347    -1077.099   -1067.6392 
-   41800         4.18  0.076458495    1009.6321    295.39416   -16.566658    9.5074902   -1077.1467   -1067.6392 
-   41850        4.185  0.076458517    981.99051    300.65179   -16.561637    9.6767113   -1077.3159   -1067.6392 
-   41900         4.19  0.076458508    963.70095    308.76413   -16.575186    9.9378133    -1077.577   -1067.6392 
-   41950        4.195   0.07645848    934.77452    316.95219   -16.596303    10.201352   -1077.8406   -1067.6392 
-   42000          4.2  0.076458508    904.42332    322.22055   -16.611182    10.370919   -1078.0102   -1067.6392 
-   42050        4.205   0.07645857    902.29913    322.33865   -16.615342     10.37472    -1078.014   -1067.6392 
-   42100         4.21  0.076458573    919.95355    316.51673   -16.615481    10.187337   -1077.8266   -1067.6392 
-   42150        4.215  0.076458639    929.08587    305.64828   -16.617453    9.8375273   -1077.4768   -1067.6392 
-   42200         4.22  0.076458638    921.14374    292.41301   -16.622157    9.4115396   -1077.0508   -1067.6392 
-   42250        4.225  0.076458624    918.70221     281.1294   -16.634159    9.0483679   -1076.6876   -1067.6392 
-   42300         4.23  0.076458699    936.43193    275.83201     -16.6517    8.8778674   -1076.5171   -1067.6392 
-   42350        4.235   0.07645883    969.33399    278.31739   -16.669195    8.9578611   -1076.5971   -1067.6392 
-   42400         4.24  0.076458843    1009.9309    287.35916   -16.679204    9.2488775   -1076.8881   -1067.6392 
-   42450        4.245   0.07645864    1036.0019    299.66752   -16.672063    9.6450318   -1077.2843   -1067.6392 
-   42500         4.25  0.076458571    1027.6855    312.04895   -16.657188    10.043538   -1077.6828   -1067.6392 
-   42550        4.255  0.076458623    1015.0072    322.01276   -16.654314    10.364231   -1078.0035   -1067.6392 
-   42600         4.26  0.076458688    1013.2933    327.27486   -16.660339    10.533595   -1078.1728   -1067.6392 
-   42650        4.265  0.076458817    1018.1646    326.73267   -16.660439    10.516145   -1078.1554   -1067.6392 
-   42700         4.27  0.076458894    1010.1919    321.82992    -16.65551    10.358346   -1077.9976   -1067.6392 
-   42750        4.275  0.076458864    1005.0687    315.35709   -16.653726    10.150013   -1077.7892   -1067.6392 
-   42800         4.28  0.076458884    1010.6833     308.9802   -16.655199    9.9447675    -1077.584   -1067.6392 
-   42850        4.285  0.076458814    1016.6151    303.05879   -16.657304    9.7541825   -1077.3934   -1067.6392 
-   42900         4.29  0.076458713    1017.0053    298.08717   -16.662548    9.5941669   -1077.2334   -1067.6392 
-   42950        4.295  0.076458716    1044.7957    294.65223   -16.669187    9.4836106   -1077.1228   -1067.6392 
-   43000          4.3  0.076458705    1100.4358    292.80033   -16.665407    9.4240058   -1077.0632   -1067.6392 
-   43050        4.305  0.076458683    1131.0739    293.34724   -16.656462    9.4416087   -1077.0808   -1067.6392 
-   43100         4.31  0.076458605    1142.3657    296.86691   -16.653769     9.554892   -1077.1941   -1067.6392 
-   43150        4.315  0.076458599    1142.8044    301.19681   -16.655832     9.694253   -1077.3335   -1067.6392 
-   43200         4.32  0.076458671    1131.7209    302.63924   -16.652234    9.7406789   -1077.3799   -1067.6392 
-   43250        4.325   0.07645862     1107.868    299.38237   -16.640553    9.6358538   -1077.2751   -1067.6392 
-   43300         4.33  0.076458564    1086.9877     293.0869   -16.632969    9.4332293   -1077.0725   -1067.6392 
-   43350        4.335  0.076458694    1085.9393    287.23945   -16.637169    9.2450247   -1076.8843   -1067.6392 
-   43400         4.34  0.076458728    1084.4536    284.62782   -16.651022    9.1609673   -1076.8002   -1067.6392 
-   43450        4.345  0.076458737    1071.0304    286.42024   -16.664054    9.2186576   -1076.8579   -1067.6392 
-   43500         4.35   0.07645867    1071.4218    292.14965   -16.663945    9.4030633   -1077.0423   -1067.6392 
-   43550        4.355  0.076458545    1058.5175     299.7894   -16.651551    9.6489546   -1077.2882   -1067.6392 
-   43600         4.36  0.076458522    1017.0691    307.34199   -16.653799    9.8920404   -1077.5313   -1067.6392 
-   43650        4.365   0.07645853    984.06733    313.34684   -16.684092    10.085311   -1077.7245   -1067.6392 
-   43700         4.37  0.076458526    972.47105    317.13488   -16.726591    10.207232   -1077.8465   -1067.6392 
-   43750        4.375  0.076458563    982.95807    319.12477   -16.764918    10.271278   -1077.9105   -1067.6392 
-   43800         4.38  0.076458569    1000.5706    319.98217   -16.791105    10.298874   -1077.9381   -1067.6392 
-   43850        4.385  0.076458604    1012.6091    319.95908   -16.796106    10.298131   -1077.9374   -1067.6392 
-   43900         4.39  0.076458647    1016.6021    319.07693   -16.782232    10.269739    -1077.909   -1067.6392 
-   43950        4.395  0.076458717    1039.7933    317.11992   -16.765953    10.206751    -1077.846   -1067.6392 
-   44000          4.4   0.07645855    1076.1914    313.94493    -16.75837    10.104561   -1077.7438   -1067.6392 
-   44050        4.405  0.076458354    1103.7125    309.85364   -16.755308    9.9728798   -1077.6121   -1067.6392 
-   44100         4.41  0.076458497    1123.4426    305.92806   -16.754699    9.8465319   -1077.4858   -1067.6392 
-   44150        4.415  0.076458707     1128.503    303.80427   -16.759223    9.7781762   -1077.4174   -1067.6392 
-   44200         4.42   0.07645872    1109.8757    305.14407   -16.773282    9.8212987   -1077.4605   -1067.6392 
-   44250        4.425  0.076458604    1077.7556    310.10841   -16.799981    9.9810798   -1077.6203   -1067.6392 
-   44300         4.43  0.076458461    1058.8761    316.28846   -16.829881     10.17999   -1077.8192   -1067.6392 
-   44350        4.435  0.076458508    1050.5707    320.51508   -16.852668    10.316027   -1077.9553   -1067.6392 
-   44400         4.44  0.076458673    1056.8449    320.97804   -16.866357    10.330927   -1077.9702   -1067.6392 
-   44450        4.445  0.076458651    1050.8827    318.14487   -16.875492    10.239739    -1077.879   -1067.6392 
-   44500         4.45  0.076458481     1013.764    314.16723   -16.897045    10.111716   -1077.7509   -1067.6392 
-   44550        4.455  0.076458392     980.5404    310.15036   -16.935928    9.9824299   -1077.6217   -1067.6392 
-   44600         4.46  0.076458504    982.46196    305.57929   -16.974614    9.8353065   -1077.4745   -1067.6392 
-   44650        4.465  0.076458584     999.3409    300.38563   -17.000466    9.6681446   -1077.3074   -1067.6392 
-   44700         4.47  0.076458532    1009.2469    295.28724      -17.008    9.5040491   -1077.1433   -1067.6392 
-   44750        4.475  0.076458496    1041.4242    291.50055   -17.008549    9.3821713   -1077.0214   -1067.6392 
-   44800         4.48  0.076458487     1086.602    289.52839   -17.016148    9.3186959   -1076.9579   -1067.6392 
-   44850        4.485  0.076458613    1103.5806    288.55396   -17.029368     9.287333   -1076.9266   -1067.6392 
-   44900         4.49   0.07645858    1102.8142    287.89912   -17.042093    9.2662566   -1076.9055   -1067.6392 
-   44950        4.495   0.07645852    1106.0548    288.11976   -17.050281     9.273358   -1076.9126   -1067.6392 
-   45000          4.5  0.076458412    1109.2471    290.73864   -17.064227    9.3576488   -1076.9969   -1067.6392 
-   45050        4.505  0.076458467    1081.3367    296.40828   -17.091233    9.5401305   -1077.1794   -1067.6392 
-   45100         4.51  0.076458612    1061.7915     304.1106   -17.120168    9.7880355   -1077.4273   -1067.6392 
-   45150        4.515  0.076458508    1075.8664    312.21278   -17.139278    10.048811    -1077.688   -1067.6392 
-   45200         4.52  0.076458381    1086.9758     319.4826   -17.149932    10.282795    -1077.922   -1067.6392 
-   45250        4.525  0.076458463    1081.4821    325.45586   -17.161699     10.47505   -1078.1143   -1067.6392 
-   45300         4.53  0.076458584     1102.657    330.33928   -17.184503    10.632226   -1078.2715   -1067.6392 
-   45350        4.535  0.076458507    1115.9422    333.72518   -17.208225    10.741204   -1078.3804   -1067.6392 
-   45400         4.54  0.076458398    1094.6076    334.77591   -17.228637    10.775023   -1078.4143   -1067.6392 
-   45450        4.545  0.076458455    1089.9234    332.91387   -17.252893    10.715091   -1078.3543   -1067.6392 
-   45500         4.55  0.076458651    1088.2901    328.25855   -17.279739    10.565256   -1078.2045   -1067.6392 
-   45550        4.555  0.076458679    1067.4543    322.55465   -17.319717    10.381672   -1078.0209   -1067.6392 
-   45600         4.56  0.076458491    1051.2478     317.7723   -17.374362    10.227748    -1077.867   -1067.6392 
-   45650        4.565  0.076458315    1034.4257    314.73532   -17.430482    10.130001   -1077.7692   -1067.6392 
-   45700         4.57  0.076458379     1013.128    312.65325   -17.476583    10.062987   -1077.7022   -1067.6392 
-   45750        4.575  0.076458582    1006.4499    309.50085   -17.496142    9.9615252   -1077.6008   -1067.6392 
-   45800         4.58   0.07645865    1024.4651    304.73909    -17.49261    9.8082641   -1077.4475   -1067.6392 
-   45850        4.585  0.076458631    1046.9622    300.08416   -17.492695    9.6584417   -1077.2977   -1067.6392 
-   45900         4.59  0.076458586    1042.5796    296.72782    -17.49113    9.5504152   -1077.1896   -1067.6392 
-   45950        4.595  0.076458607    1008.0854    295.42286    -17.47404     9.508414   -1077.1476   -1067.6392 
-   46000          4.6   0.07645866    1008.1817     297.6509   -17.457674    9.5801252   -1077.2194   -1067.6392 
-   46050        4.605  0.076458648    1055.0177    303.82712   -17.454258    9.7789116   -1077.4181   -1067.6392 
-   46100         4.61  0.076458681    1067.8096    312.06106   -17.459314    10.043927   -1077.6832   -1067.6392 
-   46150        4.615  0.076458697    1032.3327    319.35809   -17.472054    10.278788    -1077.918   -1067.6392 
-   46200         4.62  0.076458669    1011.4049    323.68987   -17.497176     10.41821   -1078.0574   -1067.6392 
-   46250        4.625  0.076458694    1013.1694    324.55935   -17.524643    10.446195   -1078.0854   -1067.6392 
-   46300         4.63  0.076458699    1019.9594    322.92316   -17.537516    10.393533   -1078.0328   -1067.6392 
-   46350        4.635  0.076458638     1019.574    321.37933    -17.53535    10.343843   -1077.9831   -1067.6392 
-   46400         4.64  0.076458549    1012.1208     322.2852   -17.529784    10.372999   -1078.0122   -1067.6392 
-   46450        4.645  0.076458548    1009.7285    324.98438    -17.51749    10.459874   -1078.0991   -1067.6392 
-   46500         4.65  0.076458739    1028.6359    327.73895   -17.495382    10.548533   -1078.1878   -1067.6392 
-   46550        4.655  0.076458848    1054.5382    329.99374   -17.486615    10.621105   -1078.2603   -1067.6392 
-   46600         4.66  0.076458871    1059.0432    330.41234   -17.496838    10.634578   -1078.2738   -1067.6392 
-   46650        4.665  0.076458903    1042.6963    327.41225   -17.503279    10.538018   -1078.1773   -1067.6392 
-   46700         4.67  0.076458964    1022.4908    322.64011    -17.50695    10.384422   -1078.0237   -1067.6392 
-   46750        4.675  0.076458954    994.76603    319.77739    -17.52877    10.292284   -1077.9315   -1067.6392 
-   46800         4.68  0.076458851    984.77354    320.04823   -17.564766    10.301001   -1077.9402   -1067.6392 
-   46850        4.685  0.076458817    982.80807    322.12061    -17.59199    10.367702   -1078.0069   -1067.6392 
-   46900         4.69  0.076458814    979.08705    324.60632   -17.607769    10.447706   -1078.0869   -1067.6392 
-   46950        4.695  0.076458855    991.35981    325.87675   -17.625638    10.488596   -1078.1278   -1067.6392 
-   47000          4.7  0.076459013    990.03823    324.25249   -17.644352    10.436318   -1078.0756   -1067.6392 
-   47050        4.705  0.076459109    971.57257    320.13246   -17.664176    10.303712   -1077.9429   -1067.6392 
-   47100         4.71  0.076459008    942.51677    315.82868   -17.695488    10.165191   -1077.8044   -1067.6392 
-   47150        4.715  0.076458834    914.38458    312.92259   -17.729828    10.071656   -1077.7109   -1067.6392 
-   47200         4.72  0.076458733    915.09427    311.73756   -17.757168    10.033515   -1077.6727   -1067.6392 
-   47250        4.725  0.076458745    929.51292    311.72739   -17.778102    10.033188   -1077.6724   -1067.6392 
-   47300         4.73  0.076458807    924.69906     311.5334   -17.787073    10.026944   -1077.6662   -1067.6392 
-   47350        4.735  0.076458753    911.78727    310.21898   -17.784392    9.9846387   -1077.6239   -1067.6392 
-   47400         4.74  0.076458811    927.84413    308.28881   -17.783399    9.9225147   -1077.5617   -1067.6392 
-   47450        4.745  0.076458948    980.47197    307.41202   -17.799967    9.8942944   -1077.5335   -1067.6392 
-   47500         4.75  0.076458921    1017.4095    308.92974   -17.837931    9.9431434   -1077.5824   -1067.6392 
-   47550        4.755  0.076458813    1013.2842    313.10487   -17.889197    10.077523   -1077.7168   -1067.6392 
-   47600         4.76  0.076458768    999.59926    319.59121    -17.94301    10.286291   -1077.9255   -1067.6392 
-   47650        4.765   0.07645894    987.28899    327.28821   -17.990152    10.534025   -1078.1733   -1067.6392 
-   47700         4.77  0.076459039     970.5822    333.98868   -18.025704    10.749685   -1078.3889   -1067.6392 
-   47750        4.775  0.076458976    960.77569     337.1295   -18.039516    10.850774     -1078.49   -1067.6392 
-   47800         4.78  0.076458945    970.90315    335.79522   -18.031317     10.80783   -1078.4471   -1067.6392 
-   47850        4.785   0.07645907    982.20263    331.08028   -18.021902    10.656076   -1078.2953   -1067.6392 
-   47900         4.79  0.076459119    990.67784    324.66683   -18.027289    10.449654   -1078.0889   -1067.6392 
-   47950        4.795  0.076459083    998.43821    318.73987    -18.04994     10.25889   -1077.8981   -1067.6392 
-   48000          4.8  0.076459069    1008.9151    315.53792   -18.077243    10.155833   -1077.7951   -1067.6392 
-   48050        4.805  0.076458972    1028.1309    316.51509   -18.096678    10.187284   -1077.8265   -1067.6392 
-   48100         4.81  0.076458972    1046.4248     321.4715    -18.10541     10.34681    -1077.986   -1067.6392 
-   48150        4.815  0.076458847    1072.5091     328.3071   -18.108273    10.566819   -1078.2061   -1067.6392 
-   48200         4.82  0.076458729    1115.3266    334.27433   -18.108253    10.758879   -1078.3981   -1067.6392 
-   48250        4.825  0.076458863    1132.7705     338.0335   -18.108395    10.879871   -1078.5191   -1067.6392 
-   48300         4.83  0.076458983    1104.4857    340.31669   -18.122648    10.953357   -1078.5926   -1067.6392 
-   48350        4.835  0.076458942    1068.6895    341.52058   -18.147861    10.992105   -1078.6313   -1067.6392 
-   48400         4.84  0.076458895    1050.2826    340.59905   -18.165876    10.962445   -1078.6017   -1067.6392 
-   48450        4.845  0.076458979     1048.172    336.60118   -18.175839     10.83377    -1078.473   -1067.6392 
-   48500         4.85  0.076458957    1026.5586    330.00847   -18.186406    10.621579   -1078.2608   -1067.6392 
-   48550        4.855  0.076458886    999.91162    322.83938   -18.201023    10.390836   -1078.0301   -1067.6392 
-   48600         4.86  0.076458961    989.90718    317.46387   -18.226455    10.217821   -1077.8571   -1067.6392 
-   48650        4.865  0.076459015    982.96635    315.18649   -18.260376    10.144522   -1077.7838   -1067.6392 
-   48700         4.87  0.076458922    987.30339    316.51586   -18.291398    10.187309   -1077.8265   -1067.6392 
-   48750        4.875  0.076458754    1001.7173    321.20925   -18.314994    10.338369   -1077.9776   -1067.6392 
-   48800         4.88   0.07645878    1018.8788    327.87563   -18.327226    10.552932   -1078.1922   -1067.6392 
-   48850        4.885  0.076458771    1034.4957    334.62729   -18.332453    10.770239   -1078.4095   -1067.6392 
-   48900         4.89  0.076458899    1028.6393    339.07218   -18.341739    10.913301   -1078.5525   -1067.6392 
-   48950        4.895  0.076459103    1007.6856    338.61189   -18.356096    10.898487   -1078.5377   -1067.6392 
-   49000          4.9  0.076459192    999.24745    332.23323   -18.365334    10.693184   -1078.3324   -1067.6392 
-   49050        4.905  0.076459086    996.76706    322.52584   -18.367263    10.380744     -1078.02   -1067.6392 
-   49100         4.91  0.076459029    995.85019    315.08451   -18.370824     10.14124   -1077.7805   -1067.6392 
-   49150        4.915  0.076459032    983.16555    314.29119   -18.382926    10.115706   -1077.7549   -1067.6392 
-   49200         4.92  0.076459075     965.8709    319.65382   -18.396231    10.288306   -1077.9275   -1067.6392 
-   49250        4.925  0.076459124    962.09918    328.07092   -18.405747    10.559217   -1078.1984   -1067.6392 
-   49300         4.93  0.076459019      986.327    337.01122   -18.409264    10.846968   -1078.4862   -1067.6392 
-   49350        4.935  0.076458927      1004.57    345.36436   -18.407413     11.11582   -1078.7551   -1067.6392 
-   49400         4.94  0.076458977    993.98483    352.63606    -18.40944    11.349865   -1078.9891   -1067.6392 
-   49450        4.945  0.076459082    991.26185    357.60801   -18.416364    11.509891   -1079.1491   -1067.6392 
-   49500         4.95  0.076459093    1024.0819    359.05103   -18.425791    11.556336   -1079.1956   -1067.6392 
-   49550        4.955  0.076458927    1033.8368    356.67554   -18.441932    11.479879   -1079.1191   -1067.6392 
-   49600         4.96  0.076458838    1019.5756    350.49667   -18.455292    11.281007   -1078.9202   -1067.6392 
-   49650        4.965  0.076458925    1015.2811     341.2581    -18.44834    10.983657   -1078.6229   -1067.6392 
-   49700         4.97  0.076458904    1000.5326    331.64361   -18.423481    10.674207   -1078.3134   -1067.6392 
-   49750        4.975  0.076458763    997.47426    325.30523   -18.400499    10.470201   -1078.1094   -1067.6392 
-   49800         4.98  0.076458774    1001.6165     323.8013   -18.387438    10.421796    -1078.061   -1067.6392 
-   49850        4.985  0.076458923    1003.6919    325.43465   -18.371483    10.474367   -1078.1136   -1067.6392 
-   49900         4.99  0.076458997    1014.0371    327.90126   -18.352198    10.553757    -1078.193   -1067.6392 
-   49950        4.995  0.076458983    1024.0345    329.92754   -18.340929    10.618974   -1078.2582   -1067.6392 
-   50000            5  0.076458894    1024.5951    330.62163   -18.327421    10.641314   -1078.2805   -1067.6392 
-Loop time of 104.807 on 4 procs for 50000 steps with 250 atoms
-
-Performance: 4.122 ns/day, 5.823 hours/ns, 477.068 timesteps/s
-98.2% CPU use with 4 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 16.436     | 16.633     | 16.862     |   4.5 | 15.87
-Neigh   | 0.16699    | 0.17008    | 0.17166    |   0.4 |  0.16
-Comm    | 4.1416     | 4.3331     | 4.5047     |   7.9 |  4.13
-Output  | 10.767     | 11.845     | 12.706     |  20.7 | 11.30
-Modify  | 70.815     | 71.648     | 72.683     |   8.2 | 68.36
-Other   |            | 0.1775     |            |       |  0.17
-
-Nlocal:    62.5 ave 65 max 60 min
-Histogram: 1 0 0 0 1 0 1 0 0 1
-Nghost:    757.75 ave 776 max 743 min
-Histogram: 1 0 0 1 1 0 0 0 0 1
-Neighs:    1932.75 ave 2015 max 1844 min
-Histogram: 1 0 0 0 1 1 0 0 0 1
-FullNghs:  3865.5 ave 4024 max 3710 min
-Histogram: 1 0 0 1 0 0 1 0 0 1
-
-Total # of neighbors = 15462
-Ave neighs/atom = 61.848
-Neighbor list builds = 612
-Dangerous builds = 0
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:01:45
diff --git a/examples/SPIN/iron/log.30Apr19.spin.iron_cubic.g++.1 b/examples/SPIN/iron/log.30Apr19.spin.iron_cubic.g++.1
deleted file mode 100644
index ee1e71131e..0000000000
--- a/examples/SPIN/iron/log.30Apr19.spin.iron_cubic.g++.1
+++ /dev/null
@@ -1,161 +0,0 @@
-LAMMPS (30 Apr 2019)
-  using 1 OpenMP thread(s) per MPI task
-# bcc iron in a 3d periodic box
-
-clear
-  using 1 OpenMP thread(s) per MPI task
-units 		metal
-atom_style 	spin
-
-dimension 	3
-boundary 	p p p
-
-# necessary for the serial algorithm (sametag)
-atom_modify 	map array
-
-lattice 	bcc 2.8665
-Lattice spacing in x,y,z = 2.8665 2.8665 2.8665
-region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
-create_box 	1 box
-Created orthogonal box = (0 0 0) to (14.3325 14.3325 14.3325)
-  1 by 1 by 1 MPI processor grid
-create_atoms 	1 box
-Created 250 atoms
-  create_atoms CPU = 0.0527296 secs
-
-# setting mass, mag. moments, and interactions for bcc iron
-
-mass		1 55.845
-set 		group all spin 2.2 -1.0 0.0 0.0
-  250 settings made for spin
-velocity 	all create 100 4928459 rot yes dist gaussian
-
-pair_style 	hybrid/overlay eam/alloy spin/exchange 3.5
-pair_coeff 	* * eam/alloy Fe_Mishin2006.eam.alloy Fe
-pair_coeff 	* * spin/exchange exchange 3.4 0.02726 0.2171 1.841
-neighbor 	0.1 bin
-neigh_modify 	every 10 check yes delay 20
-
-fix 		1 all precession/spin cubic 0.001 0.0005 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0
-fix_modify 	1 energy yes
-fix 		2 all langevin/spin 0.0 0.0 21
-
-fix 		3 all nve/spin lattice yes
-timestep	0.0001
-
-# compute and output options
-
-compute 	out_mag    all spin
-compute 	out_pe     all pe
-compute 	out_ke     all ke
-compute 	out_temp   all temp
-
-variable 	magx      equal c_out_mag[1]
-variable 	magy      equal c_out_mag[2]
-variable 	magz      equal c_out_mag[3]
-variable 	magnorm   equal c_out_mag[4]
-variable 	emag      equal c_out_mag[5]
-variable 	tmag      equal c_out_mag[6]
-
-thermo_style    custom step time v_magx v_magy v_magz v_magnorm v_tmag v_emag pe etotal
-thermo          50
-
-compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 		100 all custom 1 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
-
-run 		2000
-Neighbor list info ...
-  update every 10 steps, delay 20 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 5.77337
-  ghost atom cutoff = 5.77337
-  binsize = 2.88668, bins = 5 5 5
-  2 neighbor lists, perpetual/occasional/extra = 2 0 0
-  (1) pair eam/alloy, perpetual, half/full from (2)
-      attributes: half, newton on
-      pair build: halffull/newton
-      stencil: none
-      bin: none
-  (2) pair spin/exchange, perpetual
-      attributes: full, newton on
-      pair build: full/bin/atomonly
-      stencil: full/bin/3d
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 7.319 | 7.319 | 7.319 Mbytes
-Step Time v_magx v_magy v_magz v_magnorm v_tmag v_emag PotEng TotEng 
-       0            0           -1            0            0            1            0    -55.58269   -1125.5827    -1122.364 
-      50        0.005           -1            0            0            1            0   -55.581417   -1125.4672    -1122.364 
-     100         0.01           -1            0            0            1            0   -55.577759   -1125.1389    -1122.364 
-     150        0.015           -1            0            0            1            0    -55.57219   -1124.6538    -1122.364 
-     200         0.02           -1            0            0            1            0   -55.565438    -1124.099    -1122.364 
-     250        0.025           -1            0            0            1            0   -55.558379   -1123.5779    -1122.364 
-     300         0.03           -1            0            0            1            0   -55.551886   -1123.1862    -1122.364 
-     350        0.035           -1            0            0            1            0   -55.546675   -1122.9858    -1122.364 
-     400         0.04           -1            0            0            1            0   -55.543187   -1122.9869    -1122.364 
-     450        0.045           -1            0            0            1            0    -55.54154   -1123.1498    -1122.364 
-     500         0.05           -1            0            0            1            0   -55.541574   -1123.4037    -1122.364 
-     550        0.055           -1            0            0            1            0   -55.542941    -1123.672    -1122.364 
-     600         0.06           -1            0            0            1            0   -55.545209   -1123.8931    -1122.364 
-     650        0.065           -1            0            0            1            0   -55.547951   -1124.0315    -1122.364 
-     700         0.07           -1            0            0            1            0   -55.550801   -1124.0798    -1122.364 
-     750        0.075           -1            0            0            1            0   -55.553483   -1124.0546    -1122.364 
-     800         0.08           -1            0            0            1            0   -55.555816   -1123.9877    -1122.364 
-     850        0.085           -1            0            0            1            0   -55.557706    -1123.916    -1122.364 
-     900         0.09           -1            0            0            1            0    -55.55913   -1123.8714    -1122.364 
-     950        0.095           -1            0            0            1            0   -55.560111   -1123.8726    -1122.364 
-    1000          0.1           -1            0            0            1            0   -55.560705   -1123.9215    -1122.364 
-    1050        0.105           -1            0            0            1            0   -55.560979   -1124.0049    -1122.364 
-    1100         0.11           -1            0            0            1            0   -55.561005   -1124.0998    -1122.364 
-    1150        0.115           -1            0            0            1            0   -55.560847   -1124.1802    -1122.364 
-    1200         0.12           -1            0            0            1            0   -55.560562   -1124.2247    -1122.364 
-    1250        0.125           -1            0            0            1            0   -55.560199   -1124.2224    -1122.364 
-    1300         0.13           -1            0            0            1            0   -55.559804   -1124.1752    -1122.364 
-    1350        0.135           -1            0            0            1            0   -55.559416   -1124.0977    -1122.364 
-    1400         0.14           -1            0            0            1            0   -55.559073   -1124.0124    -1122.364 
-    1450        0.145           -1            0            0            1            0   -55.558803   -1123.9437    -1122.364 
-    1500         0.15           -1            0            0            1            0   -55.558617   -1123.9107    -1122.364 
-    1550        0.155           -1            0            0            1            0   -55.558503   -1123.9224    -1122.364 
-    1600         0.16           -1            0            0            1            0   -55.558425   -1123.9749    -1122.364 
-    1650        0.165           -1            0            0            1            0   -55.558323   -1124.0529    -1122.364 
-    1700         0.17           -1            0            0            1            0   -55.558122   -1124.1331    -1122.364 
-    1750        0.175           -1            0            0            1            0   -55.557751   -1124.1899    -1122.364 
-    1800         0.18           -1            0            0            1            0   -55.557157   -1124.2023    -1122.364 
-    1850        0.185           -1            0            0            1            0   -55.556326   -1124.1592    -1122.364 
-    1900         0.19           -1            0            0            1            0   -55.555301   -1124.0633    -1122.364 
-    1950        0.195           -1            0            0            1            0   -55.554178   -1123.9313    -1122.364 
-    2000          0.2           -1            0            0            1            0   -55.553099   -1123.7904    -1122.364 
-Loop time of 254.052 on 1 procs for 2000 steps with 250 atoms
-
-Performance: 0.068 ns/day, 352.850 hours/ns, 7.872 timesteps/s
-99.5% CPU use with 1 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 60.584     | 60.584     | 60.584     |   0.0 | 23.85
-Neigh   | 0.34793    | 0.34793    | 0.34793    |   0.0 |  0.14
-Comm    | 1.9994     | 1.9994     | 1.9994     |   0.0 |  0.79
-Output  | 126.24     | 126.24     | 126.24     |   0.0 | 49.69
-Modify  | 64.475     | 64.475     | 64.475     |   0.0 | 25.38
-Other   |            | 0.4024     |            |       |  0.16
-
-Nlocal:    250 ave 250 max 250 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    1419 ave 1419 max 1419 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    7878 ave 7878 max 7878 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  15756 ave 15756 max 15756 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 15756
-Ave neighs/atom = 63.024
-Neighbor list builds = 12
-Dangerous builds = 0
-# min_style 	spin
-# min_modify	alpha_damp 1.0 discrete_factor 10
-# minimize 	1.0e-16 1.0e-16 10000 10000
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:04:16
diff --git a/examples/SPIN/nickel/in.spin.nickel b/examples/SPIN/nickel/in.spin.nickel
index caa1c940ae..1d62188d8f 100644
--- a/examples/SPIN/nickel/in.spin.nickel
+++ b/examples/SPIN/nickel/in.spin.nickel
@@ -1,58 +1,57 @@
 # fcc nickel in a 3d periodic box
 
 clear 
-units 		metal
-atom_style 	spin
+units           metal
+atom_style      spin
 
-dimension 	3
-boundary 	p p p
+dimension       3
+boundary        p p p
 
 # necessary for the serial algorithm (sametag)
-atom_modify 	map array 
+atom_modify     map array 
 
-lattice 	fcc 3.524
-region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
-create_box 	1 box
-create_atoms 	1 box
+lattice         fcc 3.524
+region          box block 0.0 5.0 0.0 5.0 0.0 5.0
+create_box      1 box
+create_atoms    1 box
 
 # setting mass, mag. moments, and interactions for cobalt
 
-mass		1 58.69
+mass            1 58.69
 
-set 		group all spin/random 31 0.63
-#set 		group all spin 0.63 0.0 0.0 1.0 
-velocity 	all create 100 4928459 rot yes dist gaussian
+set             group all spin/random 31 0.63
+#set            group all spin 0.63 0.0 0.0 1.0 
+velocity        all create 100 4928459 rot yes dist gaussian
 
-pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0
-pair_coeff 	* * eam/alloy Ni99.eam.alloy Ni
-pair_coeff 	* * spin/exchange exchange 4.0 0.50 0.2280246862 1.229983475
+pair_style      hybrid/overlay eam/alloy spin/exchange 4.0
+pair_coeff      * * eam/alloy Ni99.eam.alloy Ni
+pair_coeff      * * spin/exchange exchange 4.0 0.50 0.2280246862 1.229983475
 
-neighbor 	0.1 bin
-neigh_modify 	every 10 check yes delay 20
+neighbor        0.1 bin
+neigh_modify    every 10 check yes delay 20
 
-fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0
-fix 		2 all langevin/spin 0.0 0.0 21
+fix             1 all precession/spin zeeman 0.0 0.0 0.0 1.0
+fix             2 all langevin/spin 0.0 0.0 21
 
-fix 		3 all nve/spin lattice moving
-timestep	0.0001
+fix             3 all nve/spin lattice moving
+timestep        0.0001
 
 # compute and output options
 
-compute 	out_mag    all spin
-compute 	out_pe     all pe
-compute 	out_ke     all ke
-compute 	out_temp   all temp
+compute         out_mag    all spin
+compute         out_pe     all pe
+compute         out_ke     all ke
+compute         out_temp   all temp
 
-variable 	magz      equal c_out_mag[3]
-variable 	magnorm   equal c_out_mag[4]
-variable 	emag      equal c_out_mag[5]
-variable 	tmag      equal c_out_mag[6]
+variable        magz      equal c_out_mag[3]
+variable        magnorm   equal c_out_mag[4]
+variable        emag      equal c_out_mag[5]
+variable        tmag      equal c_out_mag[6]
 
 thermo_style    custom step time v_magnorm v_emag temp v_tmag etotal
 thermo          50
 
-compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 		50 all custom 1 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
-
-run 		2000
+compute         outsp all property/atom spx spy spz sp fmx fmy fmz
+dump            1 all custom 100 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
 
+run             1000
diff --git a/examples/SPIN/nickel/in.spin.nickel_cubic b/examples/SPIN/nickel/in.spin.nickel_cubic
index 76ea23689a..1ae069a64f 100644
--- a/examples/SPIN/nickel/in.spin.nickel_cubic
+++ b/examples/SPIN/nickel/in.spin.nickel_cubic
@@ -54,7 +54,7 @@ thermo_style    custom step time v_magnorm v_emag temp v_tmag etotal
 thermo          50
 
 compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 		50 all custom 1 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
+dump 		1 all custom 50 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
 
-run 		2000
+run 		1000
 
diff --git a/examples/SPIN/nickel/log.19Nov19.spin.nickel.g++.1 b/examples/SPIN/nickel/log.19Nov19.spin.nickel.g++.1
new file mode 100644
index 0000000000..7871d82ae9
--- /dev/null
+++ b/examples/SPIN/nickel/log.19Nov19.spin.nickel.g++.1
@@ -0,0 +1,136 @@
+LAMMPS (30 Oct 2019)
+# fcc nickel in a 3d periodic box
+
+clear
+units           metal
+atom_style      spin
+
+dimension       3
+boundary        p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify     map array
+
+lattice         fcc 3.524
+Lattice spacing in x,y,z = 3.524 3.524 3.524
+region          box block 0.0 5.0 0.0 5.0 0.0 5.0
+create_box      1 box
+Created orthogonal box = (0 0 0) to (17.62 17.62 17.62)
+  1 by 1 by 1 MPI processor grid
+create_atoms    1 box
+Created 500 atoms
+  create_atoms CPU = 0.000484943 secs
+
+# setting mass, mag. moments, and interactions for cobalt
+
+mass            1 58.69
+
+set             group all spin/random 31 0.63
+  500 settings made for spin/random
+#set            group all spin 0.63 0.0 0.0 1.0
+velocity        all create 100 4928459 rot yes dist gaussian
+
+pair_style      hybrid/overlay eam/alloy spin/exchange 4.0
+pair_coeff      * * eam/alloy Ni99.eam.alloy Ni
+pair_coeff      * * spin/exchange exchange 4.0 0.50 0.2280246862 1.229983475
+
+neighbor        0.1 bin
+neigh_modify    every 10 check yes delay 20
+
+fix             1 all precession/spin zeeman 0.0 0.0 0.0 1.0
+fix             2 all langevin/spin 0.0 0.0 21
+
+fix             3 all nve/spin lattice moving
+timestep        0.0001
+
+# compute and output options
+
+compute         out_mag    all spin
+compute         out_pe     all pe
+compute         out_ke     all ke
+compute         out_temp   all temp
+
+variable        magz      equal c_out_mag[3]
+variable        magnorm   equal c_out_mag[4]
+variable        emag      equal c_out_mag[5]
+variable        tmag      equal c_out_mag[6]
+
+thermo_style    custom step time v_magnorm v_emag temp v_tmag etotal
+thermo          50
+
+compute         outsp all property/atom spx spy spz sp fmx fmy fmz
+dump            1 all custom 100 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
+
+run             1000
+Neighbor list info ...
+  update every 10 steps, delay 20 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.90375
+  ghost atom cutoff = 5.90375
+  binsize = 2.95187, bins = 6 6 6
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair eam/alloy, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 7.885 | 7.885 | 7.885 Mbytes
+Step Time v_magnorm v_emag Temp v_tmag TotEng 
+       0            0  0.028733803   0.40997576    100.03408   -4775.0671   -2218.3068 
+      50        0.005  0.028733807  0.070491717    101.47879   -28153.519   -2218.1371 
+     100         0.01  0.028733815  -0.70937134     101.7311    2925.8177   -2217.7471 
+     150        0.015  0.028733823    -1.853981     99.63039    1197.9339   -2217.1748 
+     200         0.02  0.028733828   -3.2679239    94.850105    741.17431   -2216.4678 
+     250        0.025  0.028733824    -4.863967    88.444584    550.36979   -2215.6698 
+     300         0.03  0.028733807   -6.5763457    82.689581    449.78321   -2214.8136 
+     350        0.035  0.028733783   -8.3489158    80.108798    384.32228   -2213.9273 
+     400         0.04  0.028733763   -10.120216    82.374947    335.01545   -2213.0417 
+     450        0.045  0.028733755   -11.828932    89.814597    296.88965   -2212.1873 
+     500         0.05  0.028733762   -13.423712    101.39613    267.51686     -2211.39 
+     550        0.055  0.028733783   -14.866724    115.07399    244.96012   -2210.6684 
+     600         0.06  0.028733801   -16.135279    128.57849    229.33327   -2210.0342 
+     650        0.065  0.028733804   -17.222838    140.22402    220.05718   -2209.4904 
+     700         0.07  0.028733795   -18.154813    149.61295    212.95678   -2209.0244 
+     750        0.075  0.028733781   -18.996903     157.5814    206.41327   -2208.6034 
+     800         0.08  0.028733768   -19.804249    164.92075    203.88977   -2208.1997 
+     850        0.085  0.028733752   -20.579151    171.67278    203.42363   -2207.8122 
+     900         0.09  0.028733728   -21.294277    177.67238    199.84817   -2207.4547 
+     950        0.095  0.028733715   -21.943945     183.2621     194.9614   -2207.1298 
+    1000          0.1   0.02873374   -22.551277    188.99284    191.59796   -2206.8262 
+Loop time of 4.30614 on 1 procs for 1000 steps with 500 atoms
+
+Performance: 2.006 ns/day, 11.961 hours/ns, 232.227 timesteps/s
+100.0% CPU use with 1 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.038      | 2.038      | 2.038      |   0.0 | 47.33
+Neigh   | 0.01566    | 0.01566    | 0.01566    |   0.0 |  0.36
+Comm    | 0.032802   | 0.032802   | 0.032802   |   0.0 |  0.76
+Output  | 0.014146   | 0.014146   | 0.014146   |   0.0 |  0.33
+Modify  | 2.2003     | 2.2003     | 2.2003     |   0.0 | 51.10
+Other   |            | 0.005288   |            |       |  0.12
+
+Nlocal:    500 ave 500 max 500 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1956 ave 1956 max 1956 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    19504 ave 19504 max 19504 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  39008 ave 39008 max 39008 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 39008
+Ave neighs/atom = 78.016
+Neighbor list builds = 9
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:04
diff --git a/examples/SPIN/nickel/log.19Nov19.spin.nickel.g++.4 b/examples/SPIN/nickel/log.19Nov19.spin.nickel.g++.4
new file mode 100644
index 0000000000..638ab5e635
--- /dev/null
+++ b/examples/SPIN/nickel/log.19Nov19.spin.nickel.g++.4
@@ -0,0 +1,136 @@
+LAMMPS (30 Oct 2019)
+# fcc nickel in a 3d periodic box
+
+clear
+units           metal
+atom_style      spin
+
+dimension       3
+boundary        p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify     map array
+
+lattice         fcc 3.524
+Lattice spacing in x,y,z = 3.524 3.524 3.524
+region          box block 0.0 5.0 0.0 5.0 0.0 5.0
+create_box      1 box
+Created orthogonal box = (0 0 0) to (17.62 17.62 17.62)
+  1 by 2 by 2 MPI processor grid
+create_atoms    1 box
+Created 500 atoms
+  create_atoms CPU = 0.000733852 secs
+
+# setting mass, mag. moments, and interactions for cobalt
+
+mass            1 58.69
+
+set             group all spin/random 31 0.63
+  500 settings made for spin/random
+#set            group all spin 0.63 0.0 0.0 1.0
+velocity        all create 100 4928459 rot yes dist gaussian
+
+pair_style      hybrid/overlay eam/alloy spin/exchange 4.0
+pair_coeff      * * eam/alloy Ni99.eam.alloy Ni
+pair_coeff      * * spin/exchange exchange 4.0 0.50 0.2280246862 1.229983475
+
+neighbor        0.1 bin
+neigh_modify    every 10 check yes delay 20
+
+fix             1 all precession/spin zeeman 0.0 0.0 0.0 1.0
+fix             2 all langevin/spin 0.0 0.0 21
+
+fix             3 all nve/spin lattice moving
+timestep        0.0001
+
+# compute and output options
+
+compute         out_mag    all spin
+compute         out_pe     all pe
+compute         out_ke     all ke
+compute         out_temp   all temp
+
+variable        magz      equal c_out_mag[3]
+variable        magnorm   equal c_out_mag[4]
+variable        emag      equal c_out_mag[5]
+variable        tmag      equal c_out_mag[6]
+
+thermo_style    custom step time v_magnorm v_emag temp v_tmag etotal
+thermo          50
+
+compute         outsp all property/atom spx spy spz sp fmx fmy fmz
+dump            1 all custom 100 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
+
+run             1000
+Neighbor list info ...
+  update every 10 steps, delay 20 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.90375
+  ghost atom cutoff = 5.90375
+  binsize = 2.95187, bins = 6 6 6
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair eam/alloy, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 7.799 | 7.799 | 7.799 Mbytes
+Step Time v_magnorm v_emag Temp v_tmag TotEng 
+       0            0  0.028733803   0.40997576    100.03408   -4775.0671   -2218.1018 
+      50        0.005  0.028733805   0.25324083    98.741633   -7863.8744   -2218.1018 
+     100         0.01  0.028733812  -0.37320751    97.073875    5622.1863   -2218.1018 
+     150        0.015  0.028733819   -1.3971549    94.073447    1625.0258   -2218.1018 
+     200         0.02  0.028733825   -2.7238372    89.419944    919.37601   -2218.1018 
+     250        0.025  0.028733829   -4.2684428     84.07494    652.18375   -2218.1018 
+     300         0.03  0.028733824   -5.9636712     80.06368    512.89077   -2218.1018 
+     350        0.035   0.02873381   -7.7386326    79.366702    422.24864   -2218.1018 
+     400         0.04  0.028733802   -9.5148059    83.052751    357.60379   -2218.1018 
+     450        0.045  0.028733806   -11.234935    91.282747    310.87776   -2218.1018 
+     500         0.05   0.02873381   -12.875184    103.49836     275.0224   -2218.1018 
+     550        0.055  0.028733808   -14.413473    118.16526    247.85208   -2218.1018 
+     600         0.06  0.028733803   -15.812466    132.83837    230.67903   -2218.1018 
+     650        0.065  0.028733808   -17.061311    145.41049    222.19476   -2218.1018 
+     700         0.07  0.028733818   -18.181903    154.83414    219.42933   -2218.1018 
+     750        0.075  0.028733823   -19.176259    160.58645    218.45231   -2218.1018 
+     800         0.08  0.028733825   -20.035157    163.02829    214.86596   -2218.1018 
+     850        0.085  0.028733825   -20.806548     164.4197    209.86881   -2218.1018 
+     900         0.09  0.028733829   -21.571419     167.8571    205.79849   -2218.1018 
+     950        0.095  0.028733825   -22.365879    175.00875    201.33088   -2218.1018 
+    1000          0.1  0.028733821   -23.133464    184.68305    195.52912   -2218.1018 
+Loop time of 2.47211 on 4 procs for 1000 steps with 500 atoms
+
+Performance: 3.495 ns/day, 6.867 hours/ns, 404.513 timesteps/s
+99.9% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.5549     | 0.56708    | 0.58627    |   1.6 | 22.94
+Neigh   | 0.0039728  | 0.0041007  | 0.0042598  |   0.2 |  0.17
+Comm    | 0.087296   | 0.10802    | 0.11917    |   3.8 |  4.37
+Output  | 0.0046923  | 0.0047188  | 0.0047917  |   0.1 |  0.19
+Modify  | 1.7832     | 1.7862     | 1.7879     |   0.1 | 72.25
+Other   |            | 0.002016   |            |       |  0.08
+
+Nlocal:    125 ave 139 max 112 min
+Histogram: 1 0 1 0 0 0 1 0 0 1
+Nghost:    1099 ave 1112 max 1085 min
+Histogram: 1 0 0 1 0 0 0 1 0 1
+Neighs:    4876 ave 5386 max 4426 min
+Histogram: 1 0 0 1 0 1 0 0 0 1
+FullNghs:  9752 ave 10845 max 8737 min
+Histogram: 1 0 1 0 0 0 1 0 0 1
+
+Total # of neighbors = 39008
+Ave neighs/atom = 78.016
+Neighbor list builds = 9
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:02
diff --git a/examples/SPIN/nickel/log.30Apr19.spin.nickel_cubic.g++.1 b/examples/SPIN/nickel/log.19Nov19.spin.nickel_cubic.g++.1
similarity index 54%
rename from examples/SPIN/nickel/log.30Apr19.spin.nickel_cubic.g++.1
rename to examples/SPIN/nickel/log.19Nov19.spin.nickel_cubic.g++.1
index 425572dedf..4f3b94df53 100644
--- a/examples/SPIN/nickel/log.30Apr19.spin.nickel_cubic.g++.1
+++ b/examples/SPIN/nickel/log.19Nov19.spin.nickel_cubic.g++.1
@@ -1,9 +1,7 @@
-LAMMPS (30 Apr 2019)
-  using 1 OpenMP thread(s) per MPI task
+LAMMPS (30 Oct 2019)
 # fcc nickel in a 3d periodic box
 
 clear
-  using 1 OpenMP thread(s) per MPI task
 units 		metal
 atom_style 	spin
 
@@ -21,7 +19,7 @@ Created orthogonal box = (0 0 0) to (17.62 17.62 17.62)
   1 by 1 by 1 MPI processor grid
 create_atoms 	1 box
 Created 500 atoms
-  create_atoms CPU = 0.00068903 secs
+  create_atoms CPU = 0.00109196 secs
 
 # setting mass, mag. moments, and interactions for cobalt
 
@@ -43,7 +41,7 @@ fix 		1 all precession/spin cubic -0.0001 0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.
 fix_modify 	1 energy yes
 fix 		2 all langevin/spin 0.0 0.0 21
 
-fix 		3 all nve/spin lattice yes
+fix 		3 all nve/spin lattice moving
 timestep	0.0001
 
 # compute and output options
@@ -62,9 +60,9 @@ thermo_style    custom step time v_magnorm v_emag temp v_tmag etotal
 thermo          50
 
 compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 		50 all custom 1 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
+dump 		1 all custom 50 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
 
-run 		2000
+run 		1000
 Neighbor list info ...
   update every 10 steps, delay 20 steps, check yes
   max neighbors/atom: 2000, page size: 100000
@@ -82,79 +80,59 @@ Neighbor list info ...
       pair build: full/bin/atomonly
       stencil: full/bin/3d
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 7.384 | 7.384 | 7.384 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 7.885 | 7.885 | 7.885 Mbytes
 Step Time v_magnorm v_emag Temp v_tmag TotEng 
-       0            0  0.028733803     0.455085    100.03408    -8603.706   -2218.0905 
-      50        0.005  0.028732021   0.11535308    101.47887   -34407.888   -2218.0904 
-     100         0.01    0.0287304    -0.665283    101.73105    6238.4535     -2218.09 
-     150        0.015  0.028729403   -1.8105707    99.629794    2452.7607   -2218.0896 
-     200         0.02  0.028731067    -3.224763    94.849715    1501.8625   -2218.0895 
-     250        0.025  0.028732765   -4.8207784    88.447019    1110.3291   -2218.0895 
-     300         0.03  0.028728169   -6.5331538    82.697813     905.2202   -2218.0896 
-     350        0.035   0.02871707   -8.3059526    80.122838    772.40218   -2218.0896 
-     400         0.04  0.028706605   -10.077613    82.389555    672.72236   -2218.0895 
-     450        0.045  0.028701727    -11.78634    89.823176    595.82956   -2218.0894 
-     500         0.05  0.028706691   -13.380919    101.39804    536.65866   -2218.0894 
-     550        0.055  0.028714065   -14.824128    115.07511    491.25787   -2218.0893 
-     600         0.06  0.028713691   -16.093505    128.58093    459.82107    -2218.089 
-     650        0.065  0.028713232   -17.181217    140.22137    441.15183    -2218.089 
-     700         0.07   0.02871245   -18.113035    149.60156    426.80154   -2218.0889 
-     750        0.075  0.028712431   -18.954952    157.56849    413.61924   -2218.0891 
-     800         0.08   0.02872489   -19.762756    164.91833    408.49483   -2218.0892 
-     850        0.085  0.028733709   -20.538757    171.69348    407.47868   -2218.0894 
-     900         0.09  0.028737031   -21.256095    177.71981    400.24086   -2218.0894 
-     950        0.095  0.028743446   -21.908156    183.31613    390.46773    -2218.089 
-    1000          0.1  0.028751809   -22.516179    189.01672    383.80802   -2218.0888 
-    1050        0.105  0.028761625   -23.084057    194.48882    376.54433    -2218.089 
-    1100         0.11  0.028768138   -23.565036    198.12295    366.13309   -2218.0891 
-    1150        0.115  0.028770301   -23.937136    198.95102    354.82763    -2218.089 
-    1200         0.12  0.028771334   -24.273509    198.31348    347.20512   -2218.0891 
-    1250        0.125  0.028769662   -24.672789    198.26173    344.02095   -2218.0889 
-    1300         0.13  0.028774175    -25.13917    199.48259    337.81596   -2218.0889 
-    1350        0.135  0.028795936   -25.594094    201.33509      329.891   -2218.0889 
-    1400         0.14  0.028824328   -25.978285     203.4984    328.81092   -2218.0886 
-    1450        0.145  0.028846467   -26.299501    206.52931    328.61151   -2218.0886 
-    1500         0.15  0.028858261   -26.605847    211.09044    324.29045   -2218.0888 
-    1550        0.155  0.028852825    -26.92321    216.70656    317.24339   -2218.0888 
-    1600         0.16   0.02885238   -27.232535    221.73117    312.50182   -2218.0888 
-    1650        0.165  0.028857985   -27.513725    224.82466    312.32346   -2218.0887 
-    1700         0.17  0.028863985   -27.764471    225.85697    312.80779   -2218.0887 
-    1750        0.175  0.028868714   -27.983273    225.71411    315.37238   -2218.0888 
-    1800         0.18  0.028871144   -28.187572    225.78979    319.44034   -2218.0888 
-    1850        0.185  0.028865191   -28.395615     226.7477    321.25107   -2218.0889 
-    1900         0.19  0.028855316   -28.597095    227.90237    319.98739   -2218.0889 
-    1950        0.195  0.028853072    -28.79277    228.54008    313.04557   -2218.0886 
-    2000          0.2  0.028855814   -29.015073     228.8643    300.40018   -2218.0885 
-Loop time of 16.5858 on 1 procs for 2000 steps with 500 atoms
+       0            0  0.028733803     0.455085    100.03408    -4301.853   -2218.2955 
+      50        0.005  0.028732021   0.11535308    101.47887   -17203.944   -2218.1258 
+     100         0.01    0.0287304    -0.665283    101.73105    3119.2267   -2217.7358 
+     150        0.015  0.028729403   -1.8105707    99.629794    1226.3803   -2217.1636 
+     200         0.02  0.028731067    -3.224763    94.849715    750.93124   -2216.4566 
+     250        0.025  0.028732765   -4.8207784    88.447019    555.16456   -2215.6585 
+     300         0.03  0.028728169   -6.5331538    82.697813     452.6101   -2214.8022 
+     350        0.035   0.02871707   -8.3059526    80.122838    386.20109   -2213.9158 
+     400         0.04  0.028706605   -10.077613    82.389555    336.36118     -2213.03 
+     450        0.045  0.028701727    -11.78634    89.823176    297.91478   -2212.1758 
+     500         0.05  0.028706691   -13.380919    101.39804    268.32933   -2211.3785 
+     550        0.055  0.028714065   -14.824128    115.07511    245.62893   -2210.6569 
+     600         0.06  0.028713691   -16.093505    128.58093    229.91054   -2210.0225 
+     650        0.065  0.028713232   -17.181217    140.22137    220.57591   -2209.4787 
+     700         0.07   0.02871245   -18.113035    149.60156    213.40077   -2209.0127 
+     750        0.075  0.028712431   -18.954952    157.56849    206.80962   -2208.5916 
+     800         0.08   0.02872489   -19.762756    164.91833    204.24742   -2208.1876 
+     850        0.085  0.028733709   -20.538757    171.69348    203.73934   -2207.7993 
+     900         0.09  0.028737031   -21.256095    177.71981    200.12043   -2207.4406 
+     950        0.095  0.028743446   -21.908156    183.31613    195.23386   -2207.1149 
+    1000          0.1  0.028751809   -22.516179    189.01672    191.90401   -2206.8111 
+Loop time of 4.3661 on 1 procs for 1000 steps with 500 atoms
 
-Performance: 1.042 ns/day, 23.036 hours/ns, 120.585 timesteps/s
-99.1% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 1.979 ns/day, 12.128 hours/ns, 229.037 timesteps/s
+100.0% CPU use with 1 MPI tasks x no OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 5.8835     | 5.8835     | 5.8835     |   0.0 | 35.47
-Neigh   | 0.05244    | 0.05244    | 0.05244    |   0.0 |  0.32
-Comm    | 0.092997   | 0.092997   | 0.092997   |   0.0 |  0.56
-Output  | 5.213      | 5.213      | 5.213      |   0.0 | 31.43
-Modify  | 5.3275     | 5.3275     | 5.3275     |   0.0 | 32.12
-Other   |            | 0.01636    |            |       |  0.10
+Pair    | 2.0467     | 2.0467     | 2.0467     |   0.0 | 46.88
+Neigh   | 0.015636   | 0.015636   | 0.015636   |   0.0 |  0.36
+Comm    | 0.032918   | 0.032918   | 0.032918   |   0.0 |  0.75
+Output  | 0.027737   | 0.027737   | 0.027737   |   0.0 |  0.64
+Modify  | 2.2379     | 2.2379     | 2.2379     |   0.0 | 51.26
+Other   |            | 0.005233   |            |       |  0.12
 
 Nlocal:    500 ave 500 max 500 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 Nghost:    1956 ave 1956 max 1956 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    19507 ave 19507 max 19507 min
+Neighs:    19504 ave 19504 max 19504 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  39014 ave 39014 max 39014 min
+FullNghs:  39008 ave 39008 max 39008 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 
-Total # of neighbors = 39014
-Ave neighs/atom = 78.028
-Neighbor list builds = 21
+Total # of neighbors = 39008
+Ave neighs/atom = 78.016
+Neighbor list builds = 9
 Dangerous builds = 0
 
 
 Please see the log.cite file for references relevant to this simulation
 
-Total wall time: 0:00:16
+Total wall time: 0:00:04
diff --git a/examples/SPIN/nickel/log.30Apr19.spin.nickel_cubic.g++.4 b/examples/SPIN/nickel/log.19Nov19.spin.nickel_cubic.g++.4
similarity index 52%
rename from examples/SPIN/nickel/log.30Apr19.spin.nickel_cubic.g++.4
rename to examples/SPIN/nickel/log.19Nov19.spin.nickel_cubic.g++.4
index fd9ce80533..1724ef9df8 100644
--- a/examples/SPIN/nickel/log.30Apr19.spin.nickel_cubic.g++.4
+++ b/examples/SPIN/nickel/log.19Nov19.spin.nickel_cubic.g++.4
@@ -1,9 +1,7 @@
-LAMMPS (30 Apr 2019)
-  using 1 OpenMP thread(s) per MPI task
+LAMMPS (30 Oct 2019)
 # fcc nickel in a 3d periodic box
 
 clear
-  using 1 OpenMP thread(s) per MPI task
 units 		metal
 atom_style 	spin
 
@@ -21,7 +19,7 @@ Created orthogonal box = (0 0 0) to (17.62 17.62 17.62)
   1 by 2 by 2 MPI processor grid
 create_atoms 	1 box
 Created 500 atoms
-  create_atoms CPU = 0.000639439 secs
+  create_atoms CPU = 0.000827074 secs
 
 # setting mass, mag. moments, and interactions for cobalt
 
@@ -43,7 +41,7 @@ fix 		1 all precession/spin cubic -0.0001 0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.
 fix_modify 	1 energy yes
 fix 		2 all langevin/spin 0.0 0.0 21
 
-fix 		3 all nve/spin lattice yes
+fix 		3 all nve/spin lattice moving
 timestep	0.0001
 
 # compute and output options
@@ -62,9 +60,9 @@ thermo_style    custom step time v_magnorm v_emag temp v_tmag etotal
 thermo          50
 
 compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 		50 all custom 1 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
+dump 		1 all custom 50 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
 
-run 		2000
+run 		1000
 Neighbor list info ...
   update every 10 steps, delay 20 steps, check yes
   max neighbors/atom: 2000, page size: 100000
@@ -82,79 +80,59 @@ Neighbor list info ...
       pair build: full/bin/atomonly
       stencil: full/bin/3d
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 7.298 | 7.298 | 7.298 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 7.799 | 7.799 | 7.799 Mbytes
 Step Time v_magnorm v_emag Temp v_tmag TotEng 
-       0            0  0.028733803     0.455085    100.03408    -8603.706   -2218.0905 
-      50        0.005  0.028732088    0.2980989     98.74184   -13360.862   -2218.0904 
-     100         0.01   0.02873076  -0.32911738    97.074246    12749.405     -2218.09 
-     150        0.015  0.028730298   -1.3537059    94.073558    3353.8731   -2218.0897 
-     200         0.02  0.028733079   -2.6807428    89.419616    1868.0661   -2218.0895 
-     250        0.025  0.028735725   -4.2256641    84.074249    1317.4563   -2218.0893 
-     300         0.03  0.028728939   -5.9209085    80.063263    1033.1632   -2218.0893 
-     350        0.035  0.028716731   -7.6957087     79.36782     849.1925   -2218.0893 
-     400         0.04   0.02871114   -9.4720832    83.055773    718.36408   -2218.0893 
-     450        0.045   0.02870879    -11.19254     91.28713    624.04151   -2218.0891 
-     500         0.05  0.028708873   -12.832707    103.50343    551.85983   -2218.0892 
-     550        0.055  0.028710315   -14.370603    118.16778    497.19527   -2218.0893 
-     600         0.06  0.028707016   -15.769641    132.83264    462.57721    -2218.089 
-     650        0.065  0.028706727   -17.018362    145.39247    445.40608   -2218.0888 
-     700         0.07  0.028710482   -18.137792    154.80131    439.71677   -2218.0889 
-     750        0.075  0.028705169   -19.130471    160.53663    437.67621   -2218.0892 
-     800         0.08  0.028695336   -19.988452    162.95918    430.42912    -2218.089 
-     850        0.085  0.028688393   -20.758389    164.33238    420.42991   -2218.0889 
-     900         0.09  0.028684101   -21.521505    167.76167    412.29955    -2218.089 
-     950        0.095  0.028684705   -22.314351      174.918    403.31757   -2218.0891 
-    1000          0.1  0.028691284   -23.080026    184.60192      391.677   -2218.0893 
-    1050        0.105  0.028687846   -23.714845    193.76312    379.81345   -2218.0893 
-    1100         0.11  0.028682371   -24.191738    200.43041    372.65414   -2218.0893 
-    1150        0.115  0.028684765   -24.569816    204.39323    368.53291   -2218.0891 
-    1200         0.12  0.028678139   -24.892093      205.879    364.46365   -2218.0892 
-    1250        0.125  0.028669738   -25.160227    205.09197    361.98015   -2218.0893 
-    1300         0.13  0.028666626   -25.367813    202.69136    360.10649   -2218.0891 
-    1350        0.135  0.028665511   -25.520784    199.79027    359.68033   -2218.0892 
-    1400         0.14   0.02866749   -25.655936    197.91217      361.218   -2218.0892 
-    1450        0.145  0.028666916    -25.80086     198.1933     361.5167   -2218.0889 
-    1500         0.15  0.028660248   -25.953194     200.8243     356.0167    -2218.089 
-    1550        0.155  0.028641778   -26.137444    205.80307    349.94961   -2218.0887 
-    1600         0.16  0.028626894   -26.393372     212.6879    347.30341   -2218.0888 
-    1650        0.165  0.028619835   -26.707923    219.63834    340.80511   -2218.0885 
-    1700         0.17  0.028615681   -27.023214    224.25635    329.60947   -2218.0882 
-    1750        0.175   0.02861597   -27.301445    225.47908    321.35253   -2218.0884 
-    1800         0.18  0.028614544    -27.53764    224.03527    320.92639   -2218.0884 
-    1850        0.185   0.02860894   -27.741581    221.74286    323.07034   -2218.0884 
-    1900         0.19  0.028604135   -27.943034      220.659    322.60989   -2218.0884 
-    1950        0.195  0.028602672   -28.160901    221.85908     318.8957   -2218.0885 
-    2000          0.2  0.028597155   -28.365986    224.55298    311.53587   -2218.0886 
-Loop time of 7.21663 on 4 procs for 2000 steps with 500 atoms
+       0            0  0.028733803     0.455085    100.03408    -4301.853   -2218.0905 
+      50        0.005  0.028732088    0.2980989     98.74184   -6680.4308   -2218.0904 
+     100         0.01   0.02873076  -0.32911738    97.074246    6374.7026     -2218.09 
+     150        0.015  0.028730298   -1.3537059    94.073558    1676.9365   -2218.0897 
+     200         0.02  0.028733079   -2.6807428    89.419616    934.03305   -2218.0895 
+     250        0.025  0.028735725   -4.2256641    84.074249    658.72816   -2218.0893 
+     300         0.03  0.028728939   -5.9209085    80.063263    516.58161   -2218.0893 
+     350        0.035  0.028716731   -7.6957087     79.36782    424.59625   -2218.0893 
+     400         0.04   0.02871114   -9.4720832    83.055773    359.18204   -2218.0893 
+     450        0.045   0.02870879    -11.19254     91.28713    312.02076   -2218.0891 
+     500         0.05  0.028708873   -12.832707    103.50343    275.92991   -2218.0892 
+     550        0.055  0.028710315   -14.370603    118.16778    248.59763   -2218.0893 
+     600         0.06  0.028707016   -15.769641    132.83264     231.2886    -2218.089 
+     650        0.065  0.028706727   -17.018362    145.39247    222.70304   -2218.0888 
+     700         0.07  0.028710482   -18.137792    154.80131    219.85838   -2218.0889 
+     750        0.075  0.028705169   -19.130471    160.53663    218.83811   -2218.0892 
+     800         0.08  0.028695336   -19.988452    162.95918    215.21456    -2218.089 
+     850        0.085  0.028688393   -20.758389    164.33238    210.21496   -2218.0889 
+     900         0.09  0.028684101   -21.521505    167.76167    206.14977    -2218.089 
+     950        0.095  0.028684705   -22.314351      174.918    201.65878   -2218.0891 
+    1000          0.1  0.028691284   -23.080026    184.60192     195.8385   -2218.0893 
+Loop time of 2.5947 on 4 procs for 1000 steps with 500 atoms
 
-Performance: 2.394 ns/day, 10.023 hours/ns, 277.138 timesteps/s
-98.1% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 3.330 ns/day, 7.207 hours/ns, 385.402 timesteps/s
+99.9% CPU use with 4 MPI tasks x no OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.6337     | 1.6726     | 1.7259     |   2.7 | 23.18
-Neigh   | 0.013023   | 0.01361    | 0.014188   |   0.4 |  0.19
-Comm    | 0.19005    | 0.24933    | 0.2905     |   7.5 |  3.45
-Output  | 1.4595     | 1.5171     | 1.5725     |   3.4 | 21.02
-Modify  | 3.6943     | 3.7537     | 3.8093     |   2.3 | 52.01
-Other   |            | 0.01025    |            |       |  0.14
+Pair    | 0.56409    | 0.58139    | 0.605      |   2.0 | 22.41
+Neigh   | 0.0039618  | 0.0041058  | 0.0042889  |   0.2 |  0.16
+Comm    | 0.095324   | 0.12147    | 0.13892    |   4.8 |  4.68
+Output  | 0.008945   | 0.0089793  | 0.0090477  |   0.0 |  0.35
+Modify  | 1.8745     | 1.8765     | 1.8795     |   0.1 | 72.32
+Other   |            | 0.002217   |            |       |  0.09
 
-Nlocal:    125 ave 132 max 121 min
-Histogram: 2 0 0 0 1 0 0 0 0 1
-Nghost:    1099 ave 1103 max 1092 min
-Histogram: 1 0 0 0 0 1 0 0 0 2
-Neighs:    4877 ave 5097 max 4747 min
-Histogram: 2 0 0 0 1 0 0 0 0 1
-FullNghs:  9754 ave 10298 max 9440 min
-Histogram: 2 0 0 0 1 0 0 0 0 1
+Nlocal:    125 ave 139 max 112 min
+Histogram: 1 0 1 0 0 0 1 0 0 1
+Nghost:    1099 ave 1112 max 1085 min
+Histogram: 1 0 0 1 0 0 0 1 0 1
+Neighs:    4876 ave 5385 max 4427 min
+Histogram: 1 0 0 1 0 1 0 0 0 1
+FullNghs:  9752 ave 10845 max 8737 min
+Histogram: 1 0 1 0 0 0 1 0 0 1
 
-Total # of neighbors = 39016
-Ave neighs/atom = 78.032
-Neighbor list builds = 21
+Total # of neighbors = 39008
+Ave neighs/atom = 78.016
+Neighbor list builds = 9
 Dangerous builds = 0
 
 
 Please see the log.cite file for references relevant to this simulation
 
-Total wall time: 0:00:07
+Total wall time: 0:00:02
diff --git a/examples/SPIN/nickel/log.30Apr19.spin.nickel.g++.1 b/examples/SPIN/nickel/log.30Apr19.spin.nickel.g++.1
deleted file mode 100644
index 8d7284f5e2..0000000000
--- a/examples/SPIN/nickel/log.30Apr19.spin.nickel.g++.1
+++ /dev/null
@@ -1,159 +0,0 @@
-LAMMPS (30 Apr 2019)
-  using 1 OpenMP thread(s) per MPI task
-# fcc nickel in a 3d periodic box
-
-clear
-  using 1 OpenMP thread(s) per MPI task
-units 		metal
-atom_style 	spin
-
-dimension 	3
-boundary 	p p p
-
-# necessary for the serial algorithm (sametag)
-atom_modify 	map array
-
-lattice 	fcc 3.524
-Lattice spacing in x,y,z = 3.524 3.524 3.524
-region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
-create_box 	1 box
-Created orthogonal box = (0 0 0) to (17.62 17.62 17.62)
-  1 by 1 by 1 MPI processor grid
-create_atoms 	1 box
-Created 500 atoms
-  create_atoms CPU = 0.000835896 secs
-
-# setting mass, mag. moments, and interactions for cobalt
-
-mass		1 58.69
-
-set 		group all spin/random 31 0.63
-  500 settings made for spin/random
-#set 		group all spin 0.63 0.0 0.0 1.0
-velocity 	all create 100 4928459 rot yes dist gaussian
-
-pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0
-pair_coeff 	* * eam/alloy Ni99.eam.alloy Ni
-pair_coeff 	* * spin/exchange exchange 4.0 0.50 0.2280246862 1.229983475
-
-neighbor 	0.1 bin
-neigh_modify 	every 10 check yes delay 20
-
-fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0
-fix 		2 all langevin/spin 0.0 0.0 21
-
-fix 		3 all nve/spin lattice yes
-timestep	0.0001
-
-# compute and output options
-
-compute 	out_mag    all spin
-compute 	out_pe     all pe
-compute 	out_ke     all ke
-compute 	out_temp   all temp
-
-variable 	magz      equal c_out_mag[3]
-variable 	magnorm   equal c_out_mag[4]
-variable 	emag      equal c_out_mag[5]
-variable 	tmag      equal c_out_mag[6]
-
-thermo_style    custom step time v_magnorm v_emag temp v_tmag etotal
-thermo          50
-
-compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 		50 all custom 1 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
-
-run 		2000
-Neighbor list info ...
-  update every 10 steps, delay 20 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 5.90375
-  ghost atom cutoff = 5.90375
-  binsize = 2.95187, bins = 6 6 6
-  2 neighbor lists, perpetual/occasional/extra = 2 0 0
-  (1) pair eam/alloy, perpetual, half/full from (2)
-      attributes: half, newton on
-      pair build: halffull/newton
-      stencil: none
-      bin: none
-  (2) pair spin/exchange, perpetual
-      attributes: full, newton on
-      pair build: full/bin/atomonly
-      stencil: full/bin/3d
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 7.384 | 7.384 | 7.384 Mbytes
-Step Time v_magnorm v_emag Temp v_tmag TotEng 
-       0            0  0.028733803   0.40997576    100.03408   -9550.1342   -2218.1018 
-      50        0.005  0.028733807  0.070491717    101.47879   -56307.038   -2218.1018 
-     100         0.01  0.028733815  -0.70937134     101.7311    5851.6355   -2218.1018 
-     150        0.015  0.028733823    -1.853981     99.63039    2395.8677   -2218.1018 
-     200         0.02  0.028733828   -3.2679239    94.850105    1482.3486   -2218.1018 
-     250        0.025  0.028733824    -4.863967    88.444584    1100.7396   -2218.1018 
-     300         0.03  0.028733807   -6.5763457    82.689581    899.56642   -2218.1018 
-     350        0.035  0.028733783   -8.3489158    80.108798    768.64457   -2218.1018 
-     400         0.04  0.028733763   -10.120216    82.374947    670.03091   -2218.1018 
-     450        0.045  0.028733755   -11.828932    89.814597    593.77931   -2218.1018 
-     500         0.05  0.028733762   -13.423712    101.39613    535.03371   -2218.1018 
-     550        0.055  0.028733783   -14.866724    115.07399    489.92024   -2218.1018 
-     600         0.06  0.028733801   -16.135279    128.57849    458.66654   -2218.1018 
-     650        0.065  0.028733804   -17.222838    140.22402    440.11437   -2218.1018 
-     700         0.07  0.028733795   -18.154813    149.61295    425.91356   -2218.1018 
-     750        0.075  0.028733781   -18.996903     157.5814    412.82654   -2218.1018 
-     800         0.08  0.028733768   -19.804249    164.92075    407.77954   -2218.1018 
-     850        0.085  0.028733752   -20.579151    171.67278    406.84726   -2218.1018 
-     900         0.09  0.028733728   -21.294277    177.67238    399.69633   -2218.1018 
-     950        0.095  0.028733715   -21.943945     183.2621    389.92281   -2218.1018 
-    1000          0.1   0.02873374   -22.551277    188.99284    383.19592   -2218.1018 
-    1050        0.105  0.028733783   -23.120147    194.51391    375.87245   -2218.1018 
-    1100         0.11  0.028733792   -23.602325    198.18631    365.37753   -2218.1018 
-    1150        0.115  0.028733774   -23.976048    199.04022    354.04863   -2218.1018 
-    1200         0.12   0.02873376    -24.31575    198.41999    346.40397   -2218.1018 
-    1250        0.125  0.028733759   -24.718347     198.3669     343.1701   -2218.1018 
-    1300         0.13  0.028733765   -25.189073    199.57949    336.90052   -2218.1018 
-    1350        0.135  0.028733774   -25.650252    201.45897    329.07023   -2218.1018 
-    1400         0.14  0.028733785   -26.042702     203.6926    327.97373   -2218.1018 
-    1450        0.145  0.028733791   -26.373965    206.80469    327.38747   -2218.1018 
-    1500         0.15  0.028733791   -26.691802    211.43923    322.75885   -2218.1018 
-    1550        0.155  0.028733794   -27.021573    217.10969    315.55781   -2218.1018 
-    1600         0.16  0.028733792   -27.344066    222.16052     310.6743   -2218.1018 
-    1650        0.165  0.028733788   -27.640017    225.28449    310.49671   -2218.1018 
-    1700         0.17  0.028733803   -27.907241    226.37676     310.9389   -2218.1018 
-    1750        0.175  0.028733828   -28.143477    226.31095    313.28034   -2218.1018 
-    1800         0.18  0.028733833   -28.363397    226.43633    317.31668   -2218.1018 
-    1850        0.185  0.028733811    -28.58153    227.36287    318.98645   -2218.1018 
-    1900         0.19  0.028733796   -28.785208    228.39889     316.9972   -2218.1018 
-    1950        0.195  0.028733826     -28.9724    228.84666     309.8027   -2218.1018 
-    2000          0.2   0.02873386   -29.175039      228.918    297.88519   -2218.1018 
-Loop time of 15.9256 on 1 procs for 2000 steps with 500 atoms
-
-Performance: 1.085 ns/day, 22.119 hours/ns, 125.584 timesteps/s
-99.2% CPU use with 1 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 5.8677     | 5.8677     | 5.8677     |   0.0 | 36.84
-Neigh   | 0.051965   | 0.051965   | 0.051965   |   0.0 |  0.33
-Comm    | 0.088829   | 0.088829   | 0.088829   |   0.0 |  0.56
-Output  | 4.7019     | 4.7019     | 4.7019     |   0.0 | 29.52
-Modify  | 5.199      | 5.199      | 5.199      |   0.0 | 32.65
-Other   |            | 0.01632    |            |       |  0.10
-
-Nlocal:    500 ave 500 max 500 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    1956 ave 1956 max 1956 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    19508 ave 19508 max 19508 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  39016 ave 39016 max 39016 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 39016
-Ave neighs/atom = 78.032
-Neighbor list builds = 21
-Dangerous builds = 0
-
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:16
diff --git a/examples/SPIN/nickel/log.30Apr19.spin.nickel.g++.4 b/examples/SPIN/nickel/log.30Apr19.spin.nickel.g++.4
deleted file mode 100644
index a186253db3..0000000000
--- a/examples/SPIN/nickel/log.30Apr19.spin.nickel.g++.4
+++ /dev/null
@@ -1,159 +0,0 @@
-LAMMPS (30 Apr 2019)
-  using 1 OpenMP thread(s) per MPI task
-# fcc nickel in a 3d periodic box
-
-clear
-  using 1 OpenMP thread(s) per MPI task
-units 		metal
-atom_style 	spin
-
-dimension 	3
-boundary 	p p p
-
-# necessary for the serial algorithm (sametag)
-atom_modify 	map array
-
-lattice 	fcc 3.524
-Lattice spacing in x,y,z = 3.524 3.524 3.524
-region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
-create_box 	1 box
-Created orthogonal box = (0 0 0) to (17.62 17.62 17.62)
-  1 by 2 by 2 MPI processor grid
-create_atoms 	1 box
-Created 500 atoms
-  create_atoms CPU = 0.000492096 secs
-
-# setting mass, mag. moments, and interactions for cobalt
-
-mass		1 58.69
-
-set 		group all spin/random 31 0.63
-  500 settings made for spin/random
-#set 		group all spin 0.63 0.0 0.0 1.0
-velocity 	all create 100 4928459 rot yes dist gaussian
-
-pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0
-pair_coeff 	* * eam/alloy Ni99.eam.alloy Ni
-pair_coeff 	* * spin/exchange exchange 4.0 0.50 0.2280246862 1.229983475
-
-neighbor 	0.1 bin
-neigh_modify 	every 10 check yes delay 20
-
-fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0
-fix 		2 all langevin/spin 0.0 0.0 21
-
-fix 		3 all nve/spin lattice yes
-timestep	0.0001
-
-# compute and output options
-
-compute 	out_mag    all spin
-compute 	out_pe     all pe
-compute 	out_ke     all ke
-compute 	out_temp   all temp
-
-variable 	magz      equal c_out_mag[3]
-variable 	magnorm   equal c_out_mag[4]
-variable 	emag      equal c_out_mag[5]
-variable 	tmag      equal c_out_mag[6]
-
-thermo_style    custom step time v_magnorm v_emag temp v_tmag etotal
-thermo          50
-
-compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 		50 all custom 1 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
-
-run 		2000
-Neighbor list info ...
-  update every 10 steps, delay 20 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 5.90375
-  ghost atom cutoff = 5.90375
-  binsize = 2.95187, bins = 6 6 6
-  2 neighbor lists, perpetual/occasional/extra = 2 0 0
-  (1) pair eam/alloy, perpetual, half/full from (2)
-      attributes: half, newton on
-      pair build: halffull/newton
-      stencil: none
-      bin: none
-  (2) pair spin/exchange, perpetual
-      attributes: full, newton on
-      pair build: full/bin/atomonly
-      stencil: full/bin/3d
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 7.298 | 7.298 | 7.298 Mbytes
-Step Time v_magnorm v_emag Temp v_tmag TotEng 
-       0            0  0.028733803   0.40997576    100.03408   -9550.1342   -2218.1018 
-      50        0.005  0.028733805   0.25324083    98.741633   -15727.749   -2218.1018 
-     100         0.01  0.028733812  -0.37320751    97.073875    11244.373   -2218.1018 
-     150        0.015  0.028733819   -1.3971549    94.073447    3250.0517   -2218.1018 
-     200         0.02  0.028733825   -2.7238372    89.419944     1838.752   -2218.1018 
-     250        0.025  0.028733829   -4.2684428     84.07494    1304.3675   -2218.1018 
-     300         0.03  0.028733824   -5.9636712     80.06368    1025.7815   -2218.1018 
-     350        0.035   0.02873381   -7.7386326    79.366702    844.49729   -2218.1018 
-     400         0.04  0.028733802   -9.5148059    83.052751    715.20758   -2218.1018 
-     450        0.045  0.028733806   -11.234935    91.282747    621.75552   -2218.1018 
-     500         0.05   0.02873381   -12.875184    103.49836    550.04479   -2218.1018 
-     550        0.055  0.028733808   -14.413473    118.16526    495.70417   -2218.1018 
-     600         0.06  0.028733803   -15.812466    132.83837    461.35805   -2218.1018 
-     650        0.065  0.028733808   -17.061311    145.41049    444.38951   -2218.1018 
-     700         0.07  0.028733818   -18.181903    154.83414    438.85866   -2218.1018 
-     750        0.075  0.028733823   -19.176259    160.58645    436.90462   -2218.1018 
-     800         0.08  0.028733825   -20.035157    163.02829    429.73193   -2218.1018 
-     850        0.085  0.028733825   -20.806548     164.4197    419.73763   -2218.1018 
-     900         0.09  0.028733829   -21.571419     167.8571    411.59699   -2218.1018 
-     950        0.095  0.028733825   -22.365879    175.00875    402.66175   -2218.1018 
-    1000          0.1  0.028733821   -23.133464    184.68305    391.05824   -2218.1018 
-    1050        0.105  0.028733833   -23.770507    193.83795    379.23354   -2218.1018 
-    1100         0.11   0.02873385   -24.249882     200.5039    372.08521   -2218.1018 
-    1150        0.115  0.028733864   -24.630489    204.46984    367.92135   -2218.1018 
-    1200         0.12  0.028733877   -24.956281    205.96624    363.72367   -2218.1018 
-    1250        0.125  0.028733884   -25.227332    205.18503    361.09236   -2218.1018 
-    1300         0.13  0.028733877    -25.43568    202.76969    359.10924   -2218.1018 
-    1350        0.135  0.028733868   -25.588748    199.85462    358.69556   -2218.1018 
-    1400         0.14  0.028733866   -25.723582    197.99165    360.27856   -2218.1018 
-    1450        0.145  0.028733851   -25.866283    198.30283    360.46623   -2218.1018 
-    1500         0.15  0.028733812   -26.014569    200.95517    354.66722   -2218.1018 
-    1550        0.155   0.02873379   -26.192673    205.95485    348.37935   -2218.1018 
-    1600         0.16  0.028733795   -26.444059    212.87557    345.53576   -2218.1018 
-    1650        0.165  0.028733838    -26.75551    219.86449     338.9224   -2218.1018 
-    1700         0.17  0.028733868   -27.068513    224.47868    327.81241   -2218.1018 
-    1750        0.175  0.028733862   -27.344118    225.62318    319.85486   -2218.1018 
-    1800         0.18  0.028733849    -27.57563    224.07463    320.07064   -2218.1018 
-    1850        0.185  0.028733852   -27.774274    221.70618    323.12599   -2218.1018 
-    1900         0.19  0.028733864   -27.967999    220.53947     322.9504   -2218.1018 
-    1950        0.195  0.028733863   -28.173041    221.61407    318.63401   -2218.1018 
-    2000          0.2  0.028733853   -28.362177    224.22281    310.55185   -2218.1018 
-Loop time of 7.69012 on 4 procs for 2000 steps with 500 atoms
-
-Performance: 2.247 ns/day, 10.681 hours/ns, 260.074 timesteps/s
-98.6% CPU use with 4 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 1.5623     | 1.5999     | 1.6541     |   2.7 | 20.80
-Neigh   | 0.012559   | 0.013043   | 0.013682   |   0.4 |  0.17
-Comm    | 0.1843     | 0.24254    | 0.27935    |   7.2 |  3.15
-Output  | 1.4749     | 1.5228     | 1.5694     |   2.9 | 19.80
-Modify  | 4.2492     | 4.3019     | 4.3507     |   1.8 | 55.94
-Other   |            | 0.009925   |            |       |  0.13
-
-Nlocal:    125 ave 132 max 120 min
-Histogram: 2 0 0 0 0 1 0 0 0 1
-Nghost:    1099 ave 1104 max 1092 min
-Histogram: 1 0 0 0 1 0 0 0 0 2
-Neighs:    4876.5 ave 5100 max 4721 min
-Histogram: 2 0 0 0 0 1 0 0 0 1
-FullNghs:  9753 ave 10296 max 9362 min
-Histogram: 2 0 0 0 0 1 0 0 0 1
-
-Total # of neighbors = 39012
-Ave neighs/atom = 78.024
-Neighbor list builds = 21
-Dangerous builds = 0
-
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:07
diff --git a/examples/SPIN/read_restart/Co_PurjaPun_2012.eam.alloy b/examples/SPIN/read_restart/Co_PurjaPun_2012.eam.alloy
deleted file mode 120000
index 6a47c9eebe..0000000000
--- a/examples/SPIN/read_restart/Co_PurjaPun_2012.eam.alloy
+++ /dev/null
@@ -1 +0,0 @@
-../cobalt_fcc/Co_PurjaPun_2012.eam.alloy
\ No newline at end of file
diff --git a/examples/SPIN/read_restart/Co_PurjaPun_2012.eam.alloy b/examples/SPIN/read_restart/Co_PurjaPun_2012.eam.alloy
new file mode 100644
index 0000000000..3af058baf7
--- /dev/null
+++ b/examples/SPIN/read_restart/Co_PurjaPun_2012.eam.alloy
@@ -0,0 +1,6006 @@
+Cobalt EAM potential: G. P. Purja Pun and Y. Mishin, Phys. Rev. B xx, 004100 (2012) (in press)
+Data below r = 1.5 A is extrapolated. F(Rho) data not extrapolated.
+Created on Wed Sep 26 17:29:54 2012
+1 Co
+10000 4.788742913000000e-04 10000 6.499539000000001e-04 6.499539000000000e+00
+27 5.893320000000000e+01 2.507000000000000e+00 hcp
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+ -4.103374908125148e-02 -4.228535107207521e-02 -4.351872320172212e-02 -4.473539109100971e-02 -4.593674531110434e-02
+ -4.712392115246503e-02 -4.829795108118731e-02 -4.945971154662068e-02 -5.061001094949964e-02 -5.174954151284258e-02
+ -5.287894548568519e-02 -5.399878139884967e-02 -5.510957102742049e-02 -5.621177284174523e-02 -5.730581735016625e-02
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diff --git a/examples/SPIN/read_restart/log.11May18.spin.read_data.g++.4 b/examples/SPIN/read_restart/log.11May18.spin.read_data.g++.4
deleted file mode 100644
index 56fed35307..0000000000
--- a/examples/SPIN/read_restart/log.11May18.spin.read_data.g++.4
+++ /dev/null
@@ -1,112 +0,0 @@
-LAMMPS (11 May 2018)
-units 		metal
-dimension 	3
-boundary 	p p p
-
-atom_style 	spin
-
-# necessary for the serial algorithm (sametag)
-atom_modify 	map array
-read_data 	Norm_randXY_8x8x32.data
-  orthogonal box = (0 0 0) to (28.32 28.32 113.28)
-  1 by 1 by 4 MPI processor grid
-  reading atoms ...
-  8192 atoms
-
-mass		1 58.93
-
-pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0
-pair_coeff 	* * eam/alloy Co_PurjaPun_2012.eam.alloy Co
-pair_coeff 	* * spin/exchange exchange 4.0 0.0446928 0.003496 1.4885
-
-neighbor 	1.0 bin
-neigh_modify 	every 1 check no delay 0
-
-fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0
-fix 		2 all langevin/spin 0.0 0.0 21
-
-fix 		3 all nve/spin lattice yes
-timestep	0.0001
-
-# define outputs and computes
-
-compute 	out_mag    all compute/spin
-compute 	out_pe     all pe
-compute 	out_ke     all ke
-compute 	out_temp   all temp
-
-variable 	magz      equal c_out_mag[3]
-variable 	magnorm   equal c_out_mag[4]
-variable 	emag      equal c_out_mag[5]
-variable 	tmag      equal c_out_mag[6]
-
-thermo          10
-thermo_style    custom step time v_magnorm v_emag v_tmag temp etotal
-thermo_modify   format float %20.15g
-
-compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 		10 all custom 1 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
-
-run 		100
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check no
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 7.49954
-  ghost atom cutoff = 7.49954
-  binsize = 3.74977, bins = 8 8 31
-  2 neighbor lists, perpetual/occasional/extra = 2 0 0
-  (1) pair eam/alloy, perpetual, half/full from (2)
-      attributes: half, newton on
-      pair build: halffull/newton
-      stencil: none
-      bin: none
-  (2) pair spin/exchange, perpetual
-      attributes: full, newton on
-      pair build: full/bin/atomonly
-      stencil: full/bin/3d
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 7.883 | 7.994 | 8.25 Mbytes
-Step Time v_magnorm v_emag v_tmag Temp TotEng 
-       0                    0    0.980832325249103     -2984.9466433509     51.7121203365411                    0    -38881.8459242507 
-      10                0.001    0.980832325329477    -2984.94800197307     52.2550778515409  0.00128259391683994    -38881.8459243698 
-      20                0.002    0.980832324654401    -2984.95196908569     53.4253110612179  0.00502068532291255    -38881.8459246487 
-      30                0.003     0.98083232312993    -2984.95826683995      55.148898005011   0.0109316232931419      -38881.84592505 
-      40                0.004    0.980832320808156     -2984.9664981035     57.3218040934977   0.0186091337978305    -38881.8459255198 
-      50                0.005    0.980832317596783    -2984.97619813016      59.827198436387   0.0275752665472358    -38881.8459260035 
-      60                0.006    0.980832313514709    -2984.98688847322     62.5519331668858    0.037334879488755      -38881.84592645 
-      70                0.007    0.980832309220414    -2984.99812399537     65.3979760533737   0.0474235360022736    -38881.8459268243 
-      80                0.008    0.980832304490479    -2985.00952678209     68.2863250613635   0.0574425728014485    -38881.8459271068 
-      90                0.009    0.980832299379824    -2985.02080456789     71.1540940309591   0.0670788096168283    -38881.8459272917 
-     100                 0.01    0.980832294622694    -2985.03175503971     73.9487734241296   0.0761100584457276    -38881.8459273851 
-Loop time of 3.6612 on 4 procs for 100 steps with 8192 atoms
-
-Performance: 0.236 ns/day, 101.700 hours/ns, 27.313 timesteps/s
-98.8% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 1.0622     | 1.076      | 1.0936     |   1.1 | 29.39
-Neigh   | 0.77462    | 0.79542    | 0.81798    |   1.9 | 21.73
-Comm    | 0.024701   | 0.066122   | 0.10261    |  11.1 |  1.81
-Output  | 0.50304    | 0.51253    | 0.52111    |   0.9 | 14.00
-Modify  | 1.2006     | 1.2082     | 1.2205     |   0.7 | 33.00
-Other   |            | 0.002962   |            |       |  0.08
-
-Nlocal:    2048 ave 2095 max 1981 min
-Histogram: 1 0 0 0 0 0 2 0 0 1
-Nghost:    5765 ave 5832 max 5718 min
-Histogram: 1 0 0 2 0 0 0 0 0 1
-Neighs:    143360 ave 146361 max 139058 min
-Histogram: 1 0 0 0 0 0 1 1 0 1
-FullNghs:  286720 ave 293300 max 277340 min
-Histogram: 1 0 0 0 0 0 2 0 0 1
-
-Total # of neighbors = 1146880
-Ave neighs/atom = 140
-Neighbor list builds = 100
-Dangerous builds not checked
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:03
diff --git a/examples/SPIN/read_restart/log.11May18.spin.restart.g++.4 b/examples/SPIN/read_restart/log.11May18.spin.restart.g++.4
deleted file mode 100644
index f93605a10a..0000000000
--- a/examples/SPIN/read_restart/log.11May18.spin.restart.g++.4
+++ /dev/null
@@ -1,118 +0,0 @@
-LAMMPS (11 May 2018)
-# start a spin-lattice simulation from a data file
-units 		metal
-atom_style 	spin
-
-dimension 	3
-boundary 	p p p
-
-# necessary for the serial algorithm (sametag)
-atom_modify 	map array
-
-read_restart	restart_hcp_cobalt.equil
-WARNING: Restart file used different # of processors (../read_restart.cpp:723)
-  restoring atom style spin from restart
-  orthogonal box = (0 0 0) to (12.5355 21.7121 20.4704)
-  1 by 2 by 2 MPI processor grid
-  restoring pair style spin/exchange from restart
-  500 atoms
-
-# setting mass, mag. moments, and interactions
-
-mass		1 58.93
-
-pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0
-pair_coeff 	* * eam/alloy Co_PurjaPun_2012.eam.alloy Co
-pair_coeff 	* * spin/exchange exchange 4.0 0.3593 1.135028015e-05 1.064568567
-
-neighbor 	1.0 bin
-neigh_modify 	every 1 check no delay 0
-
-fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0
-fix 		2 all langevin/spin 0.0 0.0 21
-
-fix 		3 all nve/spin lattice yes
-timestep	0.0001
-
-# define outputs
-
-compute 	out_mag    all compute/spin
-compute 	out_pe     all pe
-compute 	out_ke     all ke
-compute 	out_temp   all temp
-
-variable 	magz      equal c_out_mag[3]
-variable 	magnorm   equal c_out_mag[4]
-variable 	emag      equal c_out_mag[5]
-variable 	tmag      equal c_out_mag[6]
-
-thermo          10
-thermo_style    custom step time v_magnorm v_emag v_tmag temp etotal
-thermo_modify   format float %20.15g
-
-compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 		100 all custom 1 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
-
-run 		100
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check no
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 7.49954
-  ghost atom cutoff = 7.49954
-  binsize = 3.74977, bins = 4 6 6
-  2 neighbor lists, perpetual/occasional/extra = 2 0 0
-  (1) pair eam/alloy, perpetual, half/full from (2)
-      attributes: half, newton on
-      pair build: halffull/newton
-      stencil: none
-      bin: none
-  (2) pair spin/exchange, perpetual
-      attributes: full, newton on
-      pair build: full/bin/atomonly
-      stencil: full/bin/3d
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 6.203 | 6.203 | 6.203 Mbytes
-Step Time v_magnorm v_emag v_tmag Temp TotEng 
-    1000                    0    0.106120063678768    -11.8110267448939     5244.87332482316                    0    -2206.81097898003 
-    1010                0.001    0.106120030254187    -11.8198467883806     5263.87550015043    0.136650306637598    -2206.81097929055 
-    1020                0.002    0.106119996655714    -11.8460960476455       5267.299198699    0.542282344092749    -2206.81098022997 
-    1030                0.003    0.106119967407682    -11.8891433919665     5252.95473019843     1.20401809237154    -2206.81098172552 
-    1040                0.004    0.106119960016585    -11.9479778326021     5220.88686874944     2.10120827278397    -2206.81098371049 
-    1050                0.005    0.106119961252471    -12.0212426191481     5172.58712301374     3.20622343988728    -2206.81098610703 
-    1060                0.006    0.106119967598995    -12.1072712483404     5110.57504803718     4.48535830705751    -2206.81098879724 
-    1070                0.007    0.106119967669058    -12.2041566468564     5038.48927079832     5.90031039867811    -2206.81099161179 
-    1080                0.008    0.106119969263395    -12.3098693905406     4961.03212459716     7.41044810751949     -2206.8109943465 
-    1090                0.009    0.106119960964075    -12.4224156966204     4883.31968289062     8.97568865379831    -2206.81099680112 
-    1100                 0.01    0.106119945605273    -12.5400036591612     4809.87930844463     10.5594596175303    -2206.81099883101 
-Loop time of 0.304678 on 4 procs for 100 steps with 500 atoms
-
-Performance: 2.836 ns/day, 8.463 hours/ns, 328.215 timesteps/s
-98.0% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.071445   | 0.073018   | 0.074151   |   0.4 | 23.97
-Neigh   | 0.054448   | 0.055709   | 0.057528   |   0.5 | 18.28
-Comm    | 0.0061178  | 0.0074609  | 0.0090766  |   1.2 |  2.45
-Output  | 0.037489   | 0.038586   | 0.039952   |   0.5 | 12.66
-Modify  | 0.12826    | 0.12954    | 0.13065    |   0.3 | 42.52
-Other   |            | 0.0003686  |            |       |  0.12
-
-Nlocal:    125 ave 129 max 120 min
-Histogram: 1 0 0 0 1 0 0 1 0 1
-Nghost:    1387 ave 1392 max 1383 min
-Histogram: 1 0 1 0 0 1 0 0 0 1
-Neighs:    9125 ave 9428 max 8740 min
-Histogram: 1 0 0 1 0 0 0 0 1 1
-FullNghs:  18250 ave 18834 max 17520 min
-Histogram: 1 0 0 0 1 0 0 1 0 1
-
-Total # of neighbors = 73000
-Ave neighs/atom = 146
-Neighbor list builds = 100
-Dangerous builds not checked
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:00
diff --git a/examples/SPIN/read_restart/log.11May18.spin.read_data.g++.1 b/examples/SPIN/read_restart/log.19Nov19.spin.read_data.g++.1
similarity index 51%
rename from examples/SPIN/read_restart/log.11May18.spin.read_data.g++.1
rename to examples/SPIN/read_restart/log.19Nov19.spin.read_data.g++.1
index 405be50bd9..d5c38a9967 100644
--- a/examples/SPIN/read_restart/log.11May18.spin.read_data.g++.1
+++ b/examples/SPIN/read_restart/log.19Nov19.spin.read_data.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (11 May 2018)
+LAMMPS (30 Oct 2019)
 units 		metal
 dimension 	3
 boundary 	p p p
@@ -12,6 +12,7 @@ read_data 	Norm_randXY_8x8x32.data
   1 by 1 by 1 MPI processor grid
   reading atoms ...
   8192 atoms
+  read_data CPU = 0.0127251 secs
 
 mass		1 58.93
 
@@ -25,12 +26,12 @@ neigh_modify 	every 1 check no delay 0
 fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0
 fix 		2 all langevin/spin 0.0 0.0 21
 
-fix 		3 all nve/spin lattice yes
+fix 		3 all nve/spin lattice moving
 timestep	0.0001
 
 # define outputs and computes
 
-compute 	out_mag    all compute/spin
+compute 	out_mag    all spin
 compute 	out_pe     all pe
 compute 	out_ke     all ke
 compute 	out_temp   all temp
@@ -45,7 +46,7 @@ thermo_style    custom step time v_magnorm v_emag v_tmag temp etotal
 thermo_modify   format float %20.15g
 
 compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 		10 all custom 1 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
+dump 		1 all custom 1 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
 
 run 		100
 Neighbor list info ...
@@ -65,33 +66,33 @@ Neighbor list info ...
       pair build: full/bin/atomonly
       stencil: full/bin/3d
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 18.68 | 18.68 | 18.68 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 19.68 | 19.68 | 19.68 Mbytes
 Step Time v_magnorm v_emag v_tmag Temp TotEng 
-       0                    0    0.980832325249102     -2984.9466433509     51.7121203365409                    0    -38881.8459242429 
-      10                0.001    0.980832325038224    -2984.94800197308     52.2550760237226  0.00128259392155095    -38881.8459243688 
-      20                0.002    0.980832322622779    -2984.95196908579     53.4253029071033   0.0050206854169363    -38881.8459246487 
-      30                0.003    0.980832317889283    -2984.95826684048     55.1488791221993   0.0109316238061975    -38881.8459250502 
-      40                0.004    0.980832310888481    -2984.96649810512     57.3217709603901   0.0186091353316915    -38881.8459255204 
-      50                0.005    0.980832301939686    -2984.97619813381     59.8271487572311   0.0275752699737783    -38881.8459260027 
-      60                0.006    0.980832291654664    -2984.98688847988     62.5518654049861   0.0373348857300743    -38881.8459264498 
-      70                0.007    0.980832280861627    -2984.99812400566     65.3978892661935   0.0474235455824994     -38881.845926824 
-      80                0.008    0.980832270462785    -2985.00952679611      68.286219599829   0.0574425858114516    -38881.8459271072 
-      90                0.009    0.980832261284587    -2985.02080458573     71.1539714621652   0.0670788260497413    -38881.8459272915 
-     100                 0.01    0.980832253960703    -2985.03175506188     73.9486358176052   0.0761100787140068    -38881.8459273845 
-Loop time of 12.4286 on 1 procs for 100 steps with 8192 atoms
+       0                    0   0.0177864461018737    -1323.65841279979       1274.398774669                    0    -36558.7284872918 
+      10                0.001   0.0177864363786085    -1323.66900862123     1270.76616762926   0.0100007025152235    -36558.7231900452 
+      20                0.002   0.0177864377251544    -1323.70032173151     1259.90270462032   0.0394803272360477    -36558.7075350597 
+      30                0.003   0.0177864511986563    -1323.75117991179     1243.50772254923   0.0871132837928349    -36558.6821082609 
+      40                0.004   0.0177864729727686    -1323.81992477224     1223.91535595806    0.150986538096776    -36558.6477386289 
+      50                0.005    0.017786495620418    -1323.90456907402     1203.45497846157     0.22877054554493    -36558.6054195788 
+      60                0.006   0.0177865119365897    -1324.00293472823     1183.95496070422    0.317876389336898     -36558.556239967 
+      70                0.007   0.0177865186121948    -1324.11277680481     1166.52445270059    0.415601818818485    -36558.5013220755 
+      80                0.008   0.0177865171615599    -1324.23190710734     1151.59958937508    0.519276751090729    -36558.4417598279 
+      90                0.009   0.0177865117923882    -1324.35831839963     1139.14485136813    0.626407059487507    -36558.3785566998 
+     100                 0.01   0.0177865063215865    -1324.49029089774     1128.88117273962    0.734797362055872    -36558.3125725035 
+Loop time of 14.8985 on 1 procs for 100 steps with 8192 atoms
 
-Performance: 0.070 ns/day, 345.239 hours/ns, 8.046 timesteps/s
+Performance: 0.058 ns/day, 413.847 hours/ns, 6.712 timesteps/s
 99.6% CPU use with 1 MPI tasks x no OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 4.0123     | 4.0123     | 4.0123     |   0.0 | 32.28
-Neigh   | 3.005      | 3.005      | 3.005      |   0.0 | 24.18
-Comm    | 0.041798   | 0.041798   | 0.041798   |   0.0 |  0.34
-Output  | 1.8465     | 1.8465     | 1.8465     |   0.0 | 14.86
-Modify  | 3.5157     | 3.5157     | 3.5157     |   0.0 | 28.29
-Other   |            | 0.007261   |            |       |  0.06
+Pair    | 4.5996     | 4.5996     | 4.5996     |   0.0 | 30.87
+Neigh   | 3.6        | 3.6        | 3.6        |   0.0 | 24.16
+Comm    | 0.057512   | 0.057512   | 0.057512   |   0.0 |  0.39
+Output  | 2.4463     | 2.4463     | 2.4463     |   0.0 | 16.42
+Modify  | 4.1766     | 4.1766     | 4.1766     |   0.0 | 28.03
+Other   |            | 0.01854    |            |       |  0.12
 
 Nlocal:    8192 ave 8192 max 8192 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -109,4 +110,4 @@ Dangerous builds not checked
 
 Please see the log.cite file for references relevant to this simulation
 
-Total wall time: 0:00:12
+Total wall time: 0:00:15
diff --git a/examples/SPIN/read_restart/log.19Nov19.spin.read_data.g++.4 b/examples/SPIN/read_restart/log.19Nov19.spin.read_data.g++.4
new file mode 100644
index 0000000000..decd7f66de
--- /dev/null
+++ b/examples/SPIN/read_restart/log.19Nov19.spin.read_data.g++.4
@@ -0,0 +1,113 @@
+LAMMPS (30 Oct 2019)
+units 		metal
+dimension 	3
+boundary 	p p p
+
+atom_style 	spin
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+read_data 	Norm_randXY_8x8x32.data
+  orthogonal box = (0 0 0) to (28.32 28.32 113.28)
+  1 by 1 by 4 MPI processor grid
+  reading atoms ...
+  8192 atoms
+  read_data CPU = 0.0103889 secs
+
+mass		1 58.93
+
+pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0
+pair_coeff 	* * eam/alloy Co_PurjaPun_2012.eam.alloy Co
+pair_coeff 	* * spin/exchange exchange 4.0 0.0446928 0.003496 1.4885
+
+neighbor 	1.0 bin
+neigh_modify 	every 1 check no delay 0
+
+fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0
+fix 		2 all langevin/spin 0.0 0.0 21
+
+fix 		3 all nve/spin lattice moving
+timestep	0.0001
+
+# define outputs and computes
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo          10
+thermo_style    custom step time v_magnorm v_emag v_tmag temp etotal
+thermo_modify   format float %20.15g
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 1 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
+
+run 		100
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check no
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 7.49954
+  ghost atom cutoff = 7.49954
+  binsize = 3.74977, bins = 8 8 31
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair eam/alloy, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 8.422 | 8.508 | 8.751 Mbytes
+Step Time v_magnorm v_emag v_tmag Temp TotEng 
+       0                    0   0.0177864461018739    -1323.65841279979       1274.398774669                    0    -37220.5576936996 
+      10                0.001   0.0177864050983603    -1323.66900862096     1270.76618998865   0.0100007022583634    -37220.5576943555 
+      20                0.002   0.0177863936833753    -1323.70032172864     1259.90276925185   0.0394803245313843    -37220.5576959254 
+      30                0.003   0.0177864120892274    -1323.75117990111     1243.50783331745    0.087113273744231    -37220.5576982173 
+      40                0.004   0.0177864533855652     -1323.8199247464     1223.91551103958    0.150986513868405     -37220.557701015 
+      50                0.005   0.0177865078997919    -1323.90456902433     1203.45516787752    0.228770499151177    -37220.5577041159 
+      60                0.006   0.0177865576955448     -1324.0029346455     1183.95517338662    0.317876312538184    -37220.5577073314 
+      70                0.007   0.0177865860816348    -1324.11277667948     1166.52467969539    0.415601703342581    -37220.5577104775 
+      80                0.008   0.0177865881669081    -1324.23190693081     1151.59982868413    0.519276589926842     -37220.557713381 
+      90                0.009   0.0177865780982769    -1324.35831816525     1139.14509878533    0.626406847905203     -37220.557715901 
+     100                 0.01    0.017786564605084    -1324.49029060173     1128.88143013641    0.734797098519806     -37220.557717952 
+Loop time of 4.32342 on 4 procs for 100 steps with 8192 atoms
+
+Performance: 0.200 ns/day, 120.095 hours/ns, 23.130 timesteps/s
+99.8% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.185      | 1.1925     | 1.1991     |   0.5 | 27.58
+Neigh   | 0.93459    | 0.93934    | 0.94983    |   0.6 | 21.73
+Comm    | 0.042462   | 0.059373   | 0.069249   |   4.1 |  1.37
+Output  | 0.61823    | 0.63273    | 0.64528    |   1.3 | 14.63
+Modify  | 1.4827     | 1.4955     | 1.5099     |   0.8 | 34.59
+Other   |            | 0.003968   |            |       |  0.09
+
+Nlocal:    2048 ave 2061 max 2035 min
+Histogram: 1 0 0 1 0 0 1 0 0 1
+Nghost:    5765 ave 5778 max 5752 min
+Histogram: 1 0 0 1 0 0 1 0 0 1
+Neighs:    143360 ave 144262 max 142469 min
+Histogram: 1 0 0 1 0 0 1 0 0 1
+FullNghs:  286720 ave 288540 max 284900 min
+Histogram: 1 0 0 1 0 0 1 0 0 1
+
+Total # of neighbors = 1146880
+Ave neighs/atom = 140
+Neighbor list builds = 100
+Dangerous builds not checked
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:04
diff --git a/examples/SPIN/read_restart/log.11May18.spin.restart.g++.1 b/examples/SPIN/read_restart/log.19Nov19.spin.restart.g++.1
similarity index 52%
rename from examples/SPIN/read_restart/log.11May18.spin.restart.g++.1
rename to examples/SPIN/read_restart/log.19Nov19.spin.restart.g++.1
index 16eb7c3f5e..c7544dedfa 100644
--- a/examples/SPIN/read_restart/log.11May18.spin.restart.g++.1
+++ b/examples/SPIN/read_restart/log.19Nov19.spin.restart.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (11 May 2018)
+LAMMPS (30 Oct 2019)
 # start a spin-lattice simulation from a data file
 units 		metal
 atom_style 	spin
@@ -10,11 +10,13 @@ boundary 	p p p
 atom_modify 	map array
 
 read_restart	restart_hcp_cobalt.equil
+WARNING: Restart file used different # of processors: 4 vs. 1 (../read_restart.cpp:742)
   restoring atom style spin from restart
   orthogonal box = (0 0 0) to (12.5355 21.7121 20.4704)
   1 by 1 by 1 MPI processor grid
   restoring pair style spin/exchange from restart
   500 atoms
+  read_restart CPU = 0.000396967 secs
 
 # setting mass, mag. moments, and interactions
 
@@ -30,12 +32,12 @@ neigh_modify 	every 1 check no delay 0
 fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0
 fix 		2 all langevin/spin 0.0 0.0 21
 
-fix 		3 all nve/spin lattice yes
+fix 		3 all nve/spin lattice moving
 timestep	0.0001
 
 # define outputs
 
-compute 	out_mag    all compute/spin
+compute 	out_mag    all spin
 compute 	out_pe     all pe
 compute 	out_ke     all ke
 compute 	out_temp   all temp
@@ -70,33 +72,33 @@ Neighbor list info ...
       pair build: full/bin/atomonly
       stencil: full/bin/3d
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 6.315 | 6.315 | 6.315 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 6.816 | 6.816 | 6.816 Mbytes
 Step Time v_magnorm v_emag v_tmag Temp TotEng 
-    1000                    0    0.106120063678768    -11.8110267448938     5244.87332482316                    0    -2206.81097898043 
-    1010                0.001    0.106120047478105    -11.8198467887534     5263.87502105137    0.136650312456579    -2206.81097929055 
-    1020                0.002    0.106120026430373    -11.8460960518731     5267.29822866382    0.542282409605327    -2206.81098022997 
-    1030                0.003    0.106120005015917    -11.8891434078861     5252.95323564256       1.204018338139    -2206.81098172551 
-    1040                0.004    0.106119988532653    -11.9479778701641     5220.88508622311     2.10120884995911    -2206.81098371047 
-    1050                0.005     0.10611998133687     -12.021242685853     5172.58549378915     3.20622445795757    -2206.81098610701 
-    1060                0.006     0.10611998489458     -12.107271344148     5110.57395203849     4.48535975411235    -2206.81098879725 
-    1070                0.007    0.106119996964771     -12.204156761765     5038.48903231346      5.9003121044977    -2206.81099161183 
-    1080                0.008    0.106120013042521    -12.3098695046152      4961.0327167967      7.4104497466856    -2206.81099434653 
-    1090                0.009    0.106120029236234    -12.4224157835754      4883.3210922213     8.97568980540163    -2206.81099680117 
-    1100                 0.01    0.106120044071404    -12.5400036896932     4809.88136080052      10.559459821976    -2206.81099883104 
-Loop time of 0.833234 on 1 procs for 100 steps with 500 atoms
+    1000                    0    0.108317262557656    -10.7649197733649      2538.4247868621                    0    -2200.38241212222 
+    1010                0.001    0.108317281393701    -10.7743543303502     2527.22692799144    0.146167392153018     -2200.3776953858 
+    1020                0.002    0.108317318482233    -10.8022550516195     2509.47863584151    0.577304300153637    -2200.36374625815 
+    1030                0.003    0.108317366763426    -10.8476659807571      2487.5614649682     1.27529086243277    -2200.34104256596 
+    1040                0.004    0.108317415532953    -10.9092708333549     2463.97963921611     2.21443906326453    -2200.31024227618 
+    1050                0.005    0.108317453851058      -10.98553406179     2440.70473642157     3.36396898978859    -2200.27211302201 
+    1060                0.006    0.108317473584086    -11.0748008072977     2418.66477599297     4.68991434259399    -2200.22748216359 
+    1070                0.007    0.108317471632913     -11.175325501803     2397.59274785581     6.15596240129541    -2200.17722244953 
+    1080                0.008    0.108317450667394    -11.2852665400894     2376.32871275528      7.7237909750654    -2200.12225459883 
+    1090                0.009    0.108317417687893    -11.4027246787047     2353.52646917989     9.35409156720424    -2200.06352807392 
+    1100                 0.01    0.108317381194814      -11.52585602487     2328.41541723561     11.0087303030003     -2200.0019646458 
+Loop time of 0.964681 on 1 procs for 100 steps with 500 atoms
 
-Performance: 1.037 ns/day, 23.145 hours/ns, 120.014 timesteps/s
-99.7% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 0.896 ns/day, 26.797 hours/ns, 103.661 timesteps/s
+100.0% CPU use with 1 MPI tasks x no OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.26558    | 0.26558    | 0.26558    |   0.0 | 31.87
-Neigh   | 0.21352    | 0.21352    | 0.21352    |   0.0 | 25.62
-Comm    | 0.0057988  | 0.0057988  | 0.0057988  |   0.0 |  0.70
-Output  | 0.12463    | 0.12463    | 0.12463    |   0.0 | 14.96
-Modify  | 0.22275    | 0.22275    | 0.22275    |   0.0 | 26.73
-Other   |            | 0.0009537  |            |       |  0.11
+Pair    | 0.29842    | 0.29842    | 0.29842    |   0.0 | 30.93
+Neigh   | 0.25359    | 0.25359    | 0.25359    |   0.0 | 26.29
+Comm    | 0.0069926  | 0.0069926  | 0.0069926  |   0.0 |  0.72
+Output  | 0.14398    | 0.14398    | 0.14398    |   0.0 | 14.93
+Modify  | 0.26045    | 0.26045    | 0.26045    |   0.0 | 27.00
+Other   |            | 0.001249   |            |       |  0.13
 
 Nlocal:    500 ave 500 max 500 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -114,4 +116,4 @@ Dangerous builds not checked
 
 Please see the log.cite file for references relevant to this simulation
 
-Total wall time: 0:00:00
+Total wall time: 0:00:01
diff --git a/examples/SPIN/read_restart/log.19Nov19.spin.restart.g++.4 b/examples/SPIN/read_restart/log.19Nov19.spin.restart.g++.4
new file mode 100644
index 0000000000..6443d341cd
--- /dev/null
+++ b/examples/SPIN/read_restart/log.19Nov19.spin.restart.g++.4
@@ -0,0 +1,118 @@
+LAMMPS (30 Oct 2019)
+# start a spin-lattice simulation from a data file
+units 		metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+read_restart	restart_hcp_cobalt.equil
+  restoring atom style spin from restart
+  orthogonal box = (0 0 0) to (12.5355 21.7121 20.4704)
+  1 by 2 by 2 MPI processor grid
+  restoring pair style spin/exchange from restart
+  500 atoms
+  read_restart CPU = 0.000922918 secs
+
+# setting mass, mag. moments, and interactions
+
+mass		1 58.93
+
+pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0
+pair_coeff 	* * eam/alloy Co_PurjaPun_2012.eam.alloy Co
+pair_coeff 	* * spin/exchange exchange 4.0 0.3593 1.135028015e-05 1.064568567
+
+neighbor 	1.0 bin
+neigh_modify 	every 1 check no delay 0
+
+fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0
+fix 		2 all langevin/spin 0.0 0.0 21
+
+fix 		3 all nve/spin lattice moving
+timestep	0.0001
+
+# define outputs
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo          10
+thermo_style    custom step time v_magnorm v_emag v_tmag temp etotal
+thermo_modify   format float %20.15g
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		100 all custom 1 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
+
+run 		100
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check no
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 7.49954
+  ghost atom cutoff = 7.49954
+  binsize = 3.74977, bins = 4 6 6
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair eam/alloy, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 6.704 | 6.704 | 6.704 Mbytes
+Step Time v_magnorm v_emag v_tmag Temp TotEng 
+    1000                    0    0.108317262557656    -10.7649197733649      2538.4247868621                    0     -2205.7648720085 
+    1010                0.001    0.108317290362529    -10.7743543303489     2527.22680531097    0.146167392137698    -2205.76487255096 
+    1020                0.002    0.108317316207642    -10.8022550521284     2509.47840782645    0.577304308061779    -2205.76487378396 
+    1030                0.003    0.108317335980455    -10.8476659832667     2487.56119588937     1.27529090130452    -2205.76487555634 
+    1040                0.004    0.108317347902639    -10.9092708400684     2463.97936529674     2.21443916694928    -2205.76487769286 
+    1050                0.005    0.108317349786635    -10.9855340757384      2440.7044253165     3.36396920446814    -2205.76488005291 
+    1060                0.006    0.108317342445881    -11.0748008315013     2418.66438763214     4.68991471343994    -2205.76488256723 
+    1070                0.007     0.10831733355314    -11.1753255362286     2397.59228728929     6.15596292529133    -2205.76488520046 
+    1080                0.008    0.108317320750099    -11.2852665775656     2376.32820919279      7.7237915384778    -2205.76488786888 
+    1090                0.009    0.108317304079233     -11.402724701646     2353.52588586648     9.35409189724323     -2205.7648904133 
+    1100                 0.01    0.108317284409678    -11.5258560062539     2328.41472376239     11.0087299868288    -2205.76489265829 
+Loop time of 0.410707 on 4 procs for 100 steps with 500 atoms
+
+Performance: 2.104 ns/day, 11.409 hours/ns, 243.483 timesteps/s
+99.7% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.083043   | 0.083714   | 0.084202   |   0.1 | 20.38
+Neigh   | 0.063158   | 0.064429   | 0.065314   |   0.3 | 15.69
+Comm    | 0.012237   | 0.013588   | 0.014798   |   0.8 |  3.31
+Output  | 0.039088   | 0.040653   | 0.042176   |   0.6 |  9.90
+Modify  | 0.20645    | 0.20795    | 0.20945    |   0.2 | 50.63
+Other   |            | 0.0003724  |            |       |  0.09
+
+Nlocal:    125 ave 127 max 122 min
+Histogram: 1 0 0 0 1 0 0 0 0 2
+Nghost:    1387 ave 1390 max 1385 min
+Histogram: 2 0 0 0 0 0 1 0 0 1
+Neighs:    9125 ave 9272 max 8945 min
+Histogram: 1 0 0 1 0 0 0 0 1 1
+FullNghs:  18250 ave 18542 max 17812 min
+Histogram: 1 0 0 0 1 0 0 0 0 2
+
+Total # of neighbors = 73000
+Ave neighs/atom = 146
+Neighbor list builds = 100
+Dangerous builds not checked
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:00
diff --git a/examples/SPIN/read_restart/log.11May18.spin.write_restart.g++.1 b/examples/SPIN/read_restart/log.19Nov19.spin.write_restart.g++.1
similarity index 62%
rename from examples/SPIN/read_restart/log.11May18.spin.write_restart.g++.1
rename to examples/SPIN/read_restart/log.19Nov19.spin.write_restart.g++.1
index c3be90cb50..9dbe1a3548 100644
--- a/examples/SPIN/read_restart/log.11May18.spin.write_restart.g++.1
+++ b/examples/SPIN/read_restart/log.19Nov19.spin.write_restart.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (11 May 2018)
+LAMMPS (30 Oct 2019)
 # fcc cobalt in a 3d periodic box
 
 units 		metal
@@ -18,7 +18,7 @@ Created orthogonal box = (0 0 0) to (12.5355 21.7121 20.4704)
   1 by 1 by 1 MPI processor grid
 create_atoms 	1 box
 Created 500 atoms
-  Time spent = 0.00027585 secs
+  create_atoms CPU = 0.000552893 secs
 
 # setting mass, mag. moments, and interactions for cobalt
 
@@ -36,12 +36,12 @@ neigh_modify 	every 10 check yes delay 20
 fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0
 fix 		2 all langevin/spin 100.0 0.01 21
 
-fix 		3 all nve/spin lattice no
+fix 		3 all nve/spin lattice frozen
 timestep	0.0001
 
 # compute and output options
 
-compute 	out_mag    all compute/spin
+compute 	out_mag    all spin
 compute 	out_pe     all pe
 compute 	out_ke     all ke
 compute 	out_temp   all temp
@@ -70,33 +70,33 @@ Neighbor list info ...
       pair build: full/bin/atomonly
       stencil: full/bin/3d
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 6.446 | 6.446 | 6.446 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 6.947 | 6.947 | 6.947 Mbytes
 Step Time v_magnorm v_emag Temp TotEng 
-       0            0  0.076558814    1.7982359            0    1.7982359 
-     100         0.01  0.079107243   0.56368447            0   0.56368447 
-     200         0.02   0.08225862  -0.42421042            0  -0.42421042 
-     300         0.03   0.08397714   -1.4964948            0   -1.4964948 
-     400         0.04  0.084704989   -2.6740652            0   -2.6740652 
-     500         0.05  0.087486342   -4.2043382            0   -4.2043382 
-     600         0.06   0.09187261   -5.6687169            0   -5.6687169 
-     700         0.07  0.096925249    -6.937499            0    -6.937499 
-     800         0.08  0.098988236   -8.2456715            0   -8.2456715 
-     900         0.09   0.10434092   -10.111953            0   -10.111953 
-    1000          0.1   0.10612006   -11.811027            0   -11.811027 
-Loop time of 2.60215 on 1 procs for 1000 steps with 500 atoms
+       0            0  0.076558814    1.7982359            0   0.89911794 
+     100         0.01  0.077628154   0.73387834            0   0.36693917 
+     200         0.02  0.076678996   -0.4048463            0  -0.20242315 
+     300         0.03  0.079174837   -1.3519103            0  -0.67595514 
+     400         0.04  0.085031632   -3.0345702            0   -1.5172851 
+     500         0.05   0.08702747   -4.0853256            0   -2.0426628 
+     600         0.06  0.087066482    -5.259549            0   -2.6297745 
+     700         0.07  0.089788894    -6.629076            0    -3.314538 
+     800         0.08  0.091699611   -8.0574087            0   -4.0287043 
+     900         0.09  0.090038899   -9.2012019            0    -4.600601 
+    1000          0.1  0.093257309   -10.470452            0   -5.2352261 
+Loop time of 3.37852 on 1 procs for 1000 steps with 500 atoms
 
-Performance: 3.320 ns/day, 7.228 hours/ns, 384.297 timesteps/s
-99.0% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 2.557 ns/day, 9.385 hours/ns, 295.987 timesteps/s
+99.6% CPU use with 1 MPI tasks x no OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.35178    | 0.35178    | 0.35178    |   0.0 | 13.52
+Pair    | 0.45808    | 0.45808    | 0.45808    |   0.0 | 13.56
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.014421   | 0.014421   | 0.014421   |   0.0 |  0.55
-Output  | 1.2046     | 1.2046     | 1.2046     |   0.0 | 46.29
-Modify  | 1.0274     | 1.0274     | 1.0274     |   0.0 | 39.48
-Other   |            | 0.004006   |            |       |  0.15
+Comm    | 0.019707   | 0.019707   | 0.019707   |   0.0 |  0.58
+Output  | 1.3865     | 1.3865     | 1.3865     |   0.0 | 41.04
+Modify  | 1.5106     | 1.5106     | 1.5106     |   0.0 | 44.71
+Other   |            | 0.003624   |            |       |  0.11
 
 Nlocal:    500 ave 500 max 500 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -116,4 +116,4 @@ write_restart 	restart_hcp_cobalt.equil
 
 Please see the log.cite file for references relevant to this simulation
 
-Total wall time: 0:00:02
+Total wall time: 0:00:03
diff --git a/examples/SPIN/read_restart/log.11May18.spin.write_restart.g++.4 b/examples/SPIN/read_restart/log.19Nov19.spin.write_restart.g++.4
similarity index 64%
rename from examples/SPIN/read_restart/log.11May18.spin.write_restart.g++.4
rename to examples/SPIN/read_restart/log.19Nov19.spin.write_restart.g++.4
index e54299b9dd..cb98274603 100644
--- a/examples/SPIN/read_restart/log.11May18.spin.write_restart.g++.4
+++ b/examples/SPIN/read_restart/log.19Nov19.spin.write_restart.g++.4
@@ -1,4 +1,4 @@
-LAMMPS (11 May 2018)
+LAMMPS (30 Oct 2019)
 # fcc cobalt in a 3d periodic box
 
 units 		metal
@@ -18,7 +18,7 @@ Created orthogonal box = (0 0 0) to (12.5355 21.7121 20.4704)
   1 by 2 by 2 MPI processor grid
 create_atoms 	1 box
 Created 500 atoms
-  Time spent = 0.000257969 secs
+  create_atoms CPU = 0.000751972 secs
 
 # setting mass, mag. moments, and interactions for cobalt
 
@@ -36,12 +36,12 @@ neigh_modify 	every 10 check yes delay 20
 fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0
 fix 		2 all langevin/spin 100.0 0.01 21
 
-fix 		3 all nve/spin lattice no
+fix 		3 all nve/spin lattice frozen
 timestep	0.0001
 
 # compute and output options
 
-compute 	out_mag    all compute/spin
+compute 	out_mag    all spin
 compute 	out_pe     all pe
 compute 	out_ke     all ke
 compute 	out_temp   all temp
@@ -70,33 +70,33 @@ Neighbor list info ...
       pair build: full/bin/atomonly
       stencil: full/bin/3d
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 6.367 | 6.367 | 6.367 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 6.868 | 6.868 | 6.868 Mbytes
 Step Time v_magnorm v_emag Temp TotEng 
        0            0  0.076558814    1.7982359            0    1.7982359 
-     100         0.01  0.081414414   0.70545723            0   0.70545723 
-     200         0.02  0.084519539  -0.33171078            0  -0.33171078 
-     300         0.03  0.089334139   -1.3988283            0   -1.3988283 
-     400         0.04  0.092873722   -2.8519371            0   -2.8519371 
-     500         0.05    0.0970839   -4.1531164            0   -4.1531164 
-     600         0.06  0.099626132   -5.7993765            0   -5.7993765 
-     700         0.07   0.10467169   -7.3011333            0   -7.3011333 
-     800         0.08   0.10893493   -8.6918141            0   -8.6918141 
-     900         0.09   0.11389657   -10.236174            0   -10.236174 
-    1000          0.1    0.1180057   -11.896933            0   -11.896933 
-Loop time of 1.05012 on 4 procs for 1000 steps with 500 atoms
+     100         0.01  0.078299981   0.88259584            0   0.88259584 
+     200         0.02  0.081260508  -0.43484722            0  -0.43484722 
+     300         0.03  0.081195603   -1.7408209            0   -1.7408209 
+     400         0.04  0.087298495   -3.4139038            0   -3.4139038 
+     500         0.05  0.087663924   -4.3766089            0   -4.3766089 
+     600         0.06  0.091713683   -5.8534921            0   -5.8534921 
+     700         0.07  0.093779119    -6.706628            0    -6.706628 
+     800         0.08  0.097960611   -7.8688568            0   -7.8688568 
+     900         0.09   0.10193463   -9.5888008            0   -9.5888008 
+    1000          0.1   0.10831726    -10.76492            0    -10.76492 
+Loop time of 1.70473 on 4 procs for 1000 steps with 500 atoms
 
-Performance: 8.228 ns/day, 2.917 hours/ns, 952.272 timesteps/s
-98.1% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 5.068 ns/day, 4.735 hours/ns, 586.602 timesteps/s
+99.6% CPU use with 4 MPI tasks x no OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.08972    | 0.090456   | 0.091872   |   0.3 |  8.61
+Pair    | 0.11636    | 0.11927    | 0.12069    |   0.5 |  7.00
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.016958   | 0.018047   | 0.019791   |   0.8 |  1.72
-Output  | 0.36286    | 0.37483    | 0.38975    |   1.6 | 35.69
-Modify  | 0.55131    | 0.56541    | 0.57702    |   1.3 | 53.84
-Other   |            | 0.001374   |            |       |  0.13
+Comm    | 0.049208   | 0.052445   | 0.057424   |   1.4 |  3.08
+Output  | 0.38579    | 0.40345    | 0.4199     |   2.0 | 23.67
+Modify  | 1.1138     | 1.1282     | 1.1436     |   1.1 | 66.18
+Other   |            | 0.001322   |            |       |  0.08
 
 Nlocal:    125 ave 125 max 125 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
diff --git a/examples/SPIN/run_spin_examples.sh b/examples/SPIN/run_spin_examples.sh
new file mode 100755
index 0000000000..a71da82a04
--- /dev/null
+++ b/examples/SPIN/run_spin_examples.sh
@@ -0,0 +1,120 @@
+#!/bin/bash
+
+DATE=19Nov19
+
+# bfo
+cd bfo/
+../../../src/lmp_serial -in in.spin.bfo
+cp log.lammps log.${DATE}.spin.bfo.g++.1
+mpirun -np 4 ../../../src/lmp_mpi -in in.spin.bfo
+cp log.lammps log.${DATE}.spin.bfo.g++.4
+rm log.lammps log.cite dump*.lammpstrj
+cd ..
+
+# fcc cobalt
+cd cobalt_fcc/
+../../../src/lmp_serial -in in.spin.cobalt_fcc
+cp log.lammps log.${DATE}.spin.cobalt_fcc.g++.1
+mpirun -np 4 ../../../src/lmp_mpi -in in.spin.cobalt_fcc
+cp log.lammps log.${DATE}.spin.cobalt_fcc.g++.4
+rm log.lammps log.cite dump*.lammpstrj
+cd ..
+
+# hcp cobalt
+cd cobalt_hcp/
+../../../src/lmp_serial -in in.spin.cobalt_hcp
+cp log.lammps log.${DATE}.spin.cobalt_hcp.g++.1
+mpirun -np 4 ../../../src/lmp_mpi -in in.spin.cobalt_hcp
+cp log.lammps log.${DATE}.spin.cobalt_hcp.g++.4
+rm log.lammps log.cite dump*.lammpstrj
+cd ..
+
+# dipole spin
+cd dipole_spin/
+../../../src/lmp_serial -in in.spin.iron_dipole_cut
+cp log.lammps log.${DATE}.spin.iron_dipole_cut.g++.1
+mpirun -np 4 ../../../src/lmp_mpi -in in.spin.iron_dipole_cut
+cp log.lammps log.${DATE}.spin.iron_dipole_cut.g++.4
+../../../src/lmp_serial -in in.spin.iron_dipole_ewald
+cp log.lammps log.${DATE}.spin.iron_dipole_ewald.g++.1
+mpirun -np 4 ../../../src/lmp_mpi -in in.spin.iron_dipole_ewald
+cp log.lammps log.${DATE}.spin.iron_dipole_ewald.g++.4
+../../../src/lmp_serial -in in.spin.iron_dipole_pppm
+cp log.lammps log.${DATE}.spin.iron_dipole_pppm.g++.1
+mpirun -np 4 ../../../src/lmp_mpi -in in.spin.iron_dipole_pppm
+cp log.lammps log.${DATE}.spin.iron_dipole_pppm.g++.4
+rm log.lammps log.cite dump*.lammpstrj
+cd ..
+
+# bcc iron
+cd iron/
+../../../src/lmp_serial -in in.spin.iron
+cp log.lammps log.${DATE}.spin.iron.g++.1
+mpirun -np 4 ../../../src/lmp_mpi -in in.spin.iron
+cp log.lammps log.${DATE}.spin.iron.g++.4
+../../../src/lmp_serial -in in.spin.iron_cubic
+cp log.lammps log.${DATE}.spin.iron_cubic.g++.1
+mpirun -np 4 ../../../src/lmp_mpi -in in.spin.iron_cubic
+cp log.lammps log.${DATE}.spin.iron_cubic.g++.4
+rm log.lammps log.cite dump*.lammpstrj
+cd ..
+
+# fcc nickel
+cd nickel/
+../../../src/lmp_serial -in in.spin.nickel
+cp log.lammps log.${DATE}.spin.nickel.g++.1
+mpirun -np 4 ../../../src/lmp_mpi -in in.spin.nickel
+cp log.lammps log.${DATE}.spin.nickel.g++.4
+../../../src/lmp_serial -in in.spin.nickel_cubic
+cp log.lammps log.${DATE}.spin.nickel_cubic.g++.1
+mpirun -np 4 ../../../src/lmp_mpi -in in.spin.nickel_cubic
+cp log.lammps log.${DATE}.spin.nickel_cubic.g++.4
+rm log.lammps log.cite dump*.lammpstrj
+cd ..
+
+# read restart
+cd read_restart/
+../../../src/lmp_serial -in in.spin.write_restart
+cp log.lammps log.${DATE}.spin.write_restart.g++.1
+mpirun -np 4 ../../../src/lmp_mpi -in in.spin.write_restart
+cp log.lammps log.${DATE}.spin.write_restart.g++.4
+../../../src/lmp_serial -in in.spin.restart
+cp log.lammps log.${DATE}.spin.restart.g++.1
+mpirun -np 4 ../../../src/lmp_mpi -in in.spin.restart
+cp log.lammps log.${DATE}.spin.restart.g++.4
+../../../src/lmp_serial -in in.spin.read_data
+cp log.lammps log.${DATE}.spin.read_data.g++.1
+mpirun -np 4 ../../../src/lmp_mpi -in in.spin.read_data
+cp log.lammps log.${DATE}.spin.read_data.g++.4
+rm log.lammps log.cite dump*.lammpstrj
+cd ..
+
+# setforce
+cd setforce_spin/
+../../../src/lmp_serial -in in.spin.setforce
+cp log.lammps log.${DATE}.spin.setforce.g++.1
+mpirun -np 4 ../../../src/lmp_mpi -in in.spin.setforce
+cp log.lammps log.${DATE}.spin.setforce.g++.4
+rm log.lammps log.cite dump*.lammpstrj
+cd ..
+
+# spin minimizers
+cd spinmin/
+../../../src/lmp_serial -in in.spin.bfo_min
+cp log.lammps log.${DATE}.spin.bfo_min.g++.1
+mpirun -np 4 ../../../src/lmp_mpi -in in.spin.bfo_min
+cp log.lammps log.${DATE}.spin.bfo_min.g++.4
+../../../src/lmp_serial -in in.spin.bfo_min_cg
+cp log.lammps log.${DATE}.spin.bfo_min_cg.g++.1
+mpirun -np 4 ../../../src/lmp_mpi -in in.spin.bfo_min_cg
+cp log.lammps log.${DATE}.spin.bfo_min_cg.g++.4
+../../../src/lmp_serial -in in.spin.bfo_min_lbfgs
+cp log.lammps log.${DATE}.spin.bfo_min_lbfgs.g++.1
+mpirun -np 4 ../../../src/lmp_mpi -in in.spin.bfo_min_lbfgs
+cp log.lammps log.${DATE}.spin.bfo_min_lbfgs.g++.4
+../../../src/lmp_serial -in in.spin.iron_min
+cp log.lammps log.${DATE}.spin.iron_min.g++.1
+mpirun -np 4 ../../../src/lmp_mpi -in in.spin.iron_min
+cp log.lammps log.${DATE}.spin.iron_min.g++.4
+rm log.lammps log.cite dump*.lammpstrj
+cd ..
diff --git a/examples/SPIN/setforce_spin/in.spinmin.setforce b/examples/SPIN/setforce_spin/in.spin.setforce
similarity index 86%
rename from examples/SPIN/setforce_spin/in.spinmin.setforce
rename to examples/SPIN/setforce_spin/in.spin.setforce
index 822768e0ef..0d65955a29 100644
--- a/examples/SPIN/setforce_spin/in.spinmin.setforce
+++ b/examples/SPIN/setforce_spin/in.spin.setforce
@@ -8,7 +8,7 @@ atom_style 	spin
 atom_modify 	map array 
 
 lattice 	sc 3.0
-region 		box block 0.0 10.0 0.0 10.0 0.0 1.0
+region 		box block 0.0 10.0 0.0 10.0 0.0 4.0
 create_box 	2 box
 region		reg1 block 0.0 10.0 	0.0 5.0 	0.0 1.0
 region		reg2 block 0.0 10.0 	6.0 10.0 	0.0 1.0
@@ -47,13 +47,13 @@ variable 	magnorm   equal c_out_mag[4]
 variable 	emag      equal c_out_mag[5]
 variable 	tmag      equal c_out_mag[6]
 
-thermo          1000
+thermo          100
 thermo_style    custom step time v_magx v_magz v_magnorm v_tmag etotal
 thermo_modify   format float %20.15g
 
 compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 		1 all custom 1000 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[5] c_outsp[6] c_outsp[7]
+dump 		1 all custom 100 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[5] c_outsp[6] c_outsp[7]
 
 min_style	spin
 min_modify 	alpha_damp 1.0 discrete_factor 20.0
-minimize        1.0e-16 1.0e-16 50000 1000
+minimize        1.0e-16 1.0e-16 1000 100
diff --git a/examples/SPIN/setforce_spin/log.19Nov19.spin.setforce.g++.1 b/examples/SPIN/setforce_spin/log.19Nov19.spin.setforce.g++.1
new file mode 100644
index 0000000000..ed5c037feb
--- /dev/null
+++ b/examples/SPIN/setforce_spin/log.19Nov19.spin.setforce.g++.1
@@ -0,0 +1,141 @@
+LAMMPS (30 Oct 2019)
+
+units 		metal
+dimension 	3
+boundary 	f f f
+atom_style 	spin
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	sc 3.0
+Lattice spacing in x,y,z = 3 3 3
+region 		box block 0.0 10.0 0.0 10.0 0.0 4.0
+create_box 	2 box
+Created orthogonal box = (0 0 0) to (30 30 12)
+  1 by 1 by 1 MPI processor grid
+region		reg1 block 0.0 10.0 	0.0 5.0 	0.0 1.0
+region		reg2 block 0.0 10.0 	6.0 10.0 	0.0 1.0
+create_atoms 	1 region reg1
+Created 120 atoms
+  create_atoms CPU = 0.000998974 secs
+create_atoms 	2 region reg2
+Created 80 atoms
+  create_atoms CPU = 4.1008e-05 secs
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 55.845
+mass		2 55.845
+set 		region reg1 spin 2.2 0.0 0.0 1.0
+  120 settings made for spin
+set 		region reg2 spin/random 31 2.2
+  80 settings made for spin/random
+
+group 		fixed_spin region reg1
+120 atoms in group fixed_spin
+
+pair_style 	hybrid/overlay spin/exchange 3.1 spin/dmi 3.1
+pair_coeff 	* * spin/exchange exchange 3.1 -0.01593 0.06626915552 1.211
+pair_coeff	* * spin/dmi dmi 3.1 0.12e-03 0.0 0.0 1.0
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0 anisotropy 5e-05 0.0 0.0 1.0
+fix_modify	1 energy yes
+fix 		2 fixed_spin setforce/spin 0.0 0.0 0.0
+fix 		3 all langevin/spin 0.0 0.1 21
+fix		4 all nve/spin lattice frozen
+
+timestep	0.0001
+
+compute 	out_mag    all spin
+variable 	magx      equal c_out_mag[1]
+variable 	magy      equal c_out_mag[2]
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo          100
+thermo_style    custom step time v_magx v_magz v_magnorm v_tmag etotal
+thermo_modify   format float %20.15g
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 100 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[5] c_outsp[6] c_outsp[7]
+
+min_style	spin
+min_modify 	alpha_damp 1.0 discrete_factor 20.0
+minimize        1.0e-16 1.0e-16 1000 100
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (../min.cpp:177)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 3.2
+  ghost atom cutoff = 3.2
+  binsize = 1.6, bins = 19 19 8
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (2) pair spin/dmi, perpetual, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 7.215 | 7.215 | 7.215 Mbytes
+Step Time v_magx v_magz v_magnorm v_tmag TotEng 
+       0                    0 0.000143282585570239    0.615515043943419    0.615726279597251     24.9364200982478    0.121881906963737 
+     100                 0.01 0.000616167502203097    0.594467364025194    0.594498630048783  0.00188964439583802   0.0371335982020527 
+     200                 0.02 0.000498981016106215    0.595175581059792    0.595218717456538 0.000158614984300385    0.036877233648055 
+     300                 0.03 0.000211899815837572    0.595357874794342    0.595402442288391 1.44454891242177e-05   0.0368548794182375 
+     400                 0.04 7.98967577397158e-05    0.595395828381057    0.595440657806237 1.50721782707597e-06   0.0368527556548781 
+     500                 0.05  2.9121648914103e-05    0.595403174462525    0.595448064489507 1.74330474543395e-07   0.0368525254239539 
+     600                 0.06 1.04772320898497e-05    0.595404457003426    0.595449362424563 2.12204214498221e-08   0.0368524982492743 
+     700                 0.07 3.74634771616422e-06    0.595404627382825    0.595449536940641 2.63852407890463e-09    0.036852494912626 
+     800                 0.08 1.33525617457914e-06    0.595404626884198    0.595449537611055 3.30772506699851e-10   0.0368524944963445 
+     900                 0.09 4.75054785504803e-07    0.595404613763238    0.595449524836571 4.15940445257144e-11   0.0368524944440918 
+    1000                  0.1 1.68843135202601e-07     0.59540460640039    0.595449517580793 5.23632581178917e-12    0.036852494437518 
+Loop time of 0.0966749 on 1 procs for 1000 steps with 200 atoms
+
+100.0% CPU use with 1 MPI tasks x no OpenMP threads
+
+Minimization stats:
+  Stopping criterion = max iterations
+  Energy initial, next-to-last, final = 
+        0.121881906964    0.0368524944375    0.0368524944375
+  Force two-norm initial, final = 0 0
+  Force max component initial, final = 0 0
+  Final line search alpha, max atom move = 0 0
+  Iterations, force evaluations = 1000 1000
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.08679    | 0.08679    | 0.08679    |   0.0 | 89.77
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 7.2956e-05 | 7.2956e-05 | 7.2956e-05 |   0.0 |  0.08
+Output  | 0.0033231  | 0.0033231  | 0.0033231  |   0.0 |  3.44
+Modify  | 0.0022919  | 0.0022919  | 0.0022919  |   0.0 |  2.37
+Other   |            | 0.004197   |            |       |  4.34
+
+Nlocal:    200 ave 200 max 200 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  920 ave 920 max 920 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 920
+Ave neighs/atom = 4.6
+Neighbor list builds = 0
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:00
diff --git a/examples/SPIN/setforce_spin/log.19Nov19.spin.setforce.g++.4 b/examples/SPIN/setforce_spin/log.19Nov19.spin.setforce.g++.4
new file mode 100644
index 0000000000..4ce1497957
--- /dev/null
+++ b/examples/SPIN/setforce_spin/log.19Nov19.spin.setforce.g++.4
@@ -0,0 +1,141 @@
+LAMMPS (30 Oct 2019)
+
+units 		metal
+dimension 	3
+boundary 	f f f
+atom_style 	spin
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	sc 3.0
+Lattice spacing in x,y,z = 3 3 3
+region 		box block 0.0 10.0 0.0 10.0 0.0 4.0
+create_box 	2 box
+Created orthogonal box = (0 0 0) to (30 30 12)
+  2 by 2 by 1 MPI processor grid
+region		reg1 block 0.0 10.0 	0.0 5.0 	0.0 1.0
+region		reg2 block 0.0 10.0 	6.0 10.0 	0.0 1.0
+create_atoms 	1 region reg1
+Created 120 atoms
+  create_atoms CPU = 0.000770092 secs
+create_atoms 	2 region reg2
+Created 80 atoms
+  create_atoms CPU = 7.9155e-05 secs
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 55.845
+mass		2 55.845
+set 		region reg1 spin 2.2 0.0 0.0 1.0
+  120 settings made for spin
+set 		region reg2 spin/random 31 2.2
+  80 settings made for spin/random
+
+group 		fixed_spin region reg1
+120 atoms in group fixed_spin
+
+pair_style 	hybrid/overlay spin/exchange 3.1 spin/dmi 3.1
+pair_coeff 	* * spin/exchange exchange 3.1 -0.01593 0.06626915552 1.211
+pair_coeff	* * spin/dmi dmi 3.1 0.12e-03 0.0 0.0 1.0
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0 anisotropy 5e-05 0.0 0.0 1.0
+fix_modify	1 energy yes
+fix 		2 fixed_spin setforce/spin 0.0 0.0 0.0
+fix 		3 all langevin/spin 0.0 0.1 21
+fix		4 all nve/spin lattice frozen
+
+timestep	0.0001
+
+compute 	out_mag    all spin
+variable 	magx      equal c_out_mag[1]
+variable 	magy      equal c_out_mag[2]
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo          100
+thermo_style    custom step time v_magx v_magz v_magnorm v_tmag etotal
+thermo_modify   format float %20.15g
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 100 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[5] c_outsp[6] c_outsp[7]
+
+min_style	spin
+min_modify 	alpha_damp 1.0 discrete_factor 20.0
+minimize        1.0e-16 1.0e-16 1000 100
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (../min.cpp:177)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 3.2
+  ghost atom cutoff = 3.2
+  binsize = 1.6, bins = 19 19 8
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (2) pair spin/dmi, perpetual, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 7.2 | 7.2 | 7.2 Mbytes
+Step Time v_magx v_magz v_magnorm v_tmag TotEng 
+       0                    0 0.000143282585570239    0.615515043943419    0.615726279597251      21.735436446264    0.251043691626527 
+     100                 0.01 -0.00116085697754605    0.590264559350799    0.590315072966953  0.00283413081085227   0.0846048989956832 
+     200                 0.02 -0.000147570523236238      0.5896197627388    0.589686497206689 0.000451051163122381   0.0839054390713705 
+     300                 0.03 2.64982966536902e-05     0.59002969475615    0.590102003120244 5.22539631503911e-05   0.0838351677819014 
+     400                 0.04 1.77805448780033e-05    0.590195117338991    0.590268726215095 4.46490059775722e-06   0.0838382933245032 
+     500                 0.05 6.71566571038784e-06    0.590243842081075    0.590317756995865 3.63227563542099e-07   0.0838411433937997 
+     600                 0.06  2.2410340743112e-06    0.590257551861528    0.590331542128336 2.99360370345601e-08   0.0838420708305252 
+     700                 0.07 7.12179152897591e-07      0.5902614042958    0.590335413637884 2.51559188415894e-09   0.0838423375091767 
+     800                 0.08 2.20574733079126e-07    0.590262494529884    0.590336508799302 2.14455748236281e-10   0.0838424126463497 
+     900                 0.09 6.72564339365689e-08    0.590262805532644    0.590336821097688 1.84495767133404e-11   0.0838424338620728 
+    1000                  0.1 2.03001940390912e-08    0.590262894882646    0.590336910794094  1.5958531383517e-12   0.0838424398944951 
+Loop time of 0.0617704 on 4 procs for 1000 steps with 200 atoms
+
+98.7% CPU use with 4 MPI tasks x no OpenMP threads
+
+Minimization stats:
+  Stopping criterion = max iterations
+  Energy initial, next-to-last, final = 
+        0.251043691627    0.0838424398641    0.0838424398945
+  Force two-norm initial, final = 0 0
+  Force max component initial, final = 0 0
+  Final line search alpha, max atom move = 0 0
+  Iterations, force evaluations = 1000 1000
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.023753   | 0.029762   | 0.035936   |   3.3 | 48.18
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.011783   | 0.019131   | 0.025404   |   4.3 | 30.97
+Output  | 0.0019517  | 0.0019774  | 0.0020368  |   0.1 |  3.20
+Modify  | 0.0006361  | 0.00087249 | 0.0011525  |   0.0 |  1.41
+Other   |            | 0.01003    |            |       | 16.23
+
+Nlocal:    50 ave 50 max 50 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Nghost:    34.5 ave 48 max 22 min
+Histogram: 1 0 0 0 2 0 0 0 0 1
+Neighs:    0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  230 ave 230 max 230 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 920
+Ave neighs/atom = 4.6
+Neighbor list builds = 0
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:00
diff --git a/examples/SPIN/spinmin/in.spinmin.bfo b/examples/SPIN/spinmin/in.spin.bfo_min
similarity index 97%
rename from examples/SPIN/spinmin/in.spinmin.bfo
rename to examples/SPIN/spinmin/in.spin.bfo_min
index 5ebc9e0afe..701e049de3 100644
--- a/examples/SPIN/spinmin/in.spinmin.bfo
+++ b/examples/SPIN/spinmin/in.spin.bfo_min
@@ -9,7 +9,7 @@ atom_style 	spin
 atom_modify 	map array 
 
 lattice 	sc 3.96
-region 		box block 0.0 34.0 0.0 34.0 0.0 1.0
+region 		box block 0.0 34.0 0.0 34.0 0.0 5.0
 create_box 	1 box
 create_atoms 	1 box
 
diff --git a/examples/SPIN/spinmin/in.spinmin_cg.bfo b/examples/SPIN/spinmin/in.spin.bfo_min_cg
similarity index 94%
rename from examples/SPIN/spinmin/in.spinmin_cg.bfo
rename to examples/SPIN/spinmin/in.spin.bfo_min_cg
index 9d57399a56..7ce29b35ab 100644
--- a/examples/SPIN/spinmin/in.spinmin_cg.bfo
+++ b/examples/SPIN/spinmin/in.spin.bfo_min_cg
@@ -9,7 +9,7 @@ atom_style 	spin
 atom_modify 	map array 
 
 lattice 	sc 3.96
-region 		box block 0.0 34.0 0.0 34.0 0.0 1.0
+region 		box block 0.0 34.0 0.0 34.0 0.0 5.0
 create_box 	1 box
 create_atoms 	1 box
 
@@ -51,4 +51,4 @@ dump 		1 all custom 50 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3
 
 min_style	spin/cg
 # min_modify 	line spin_none discrete_factor 10.0
-minimize        1.0e-10 1.0e-10 10000 10000
+minimize        1.0e-10 1.0e-10 1000 100
diff --git a/examples/SPIN/spinmin/in.spinmin_lbfgs.bfo b/examples/SPIN/spinmin/in.spin.bfo_min_lbfgs
similarity index 97%
rename from examples/SPIN/spinmin/in.spinmin_lbfgs.bfo
rename to examples/SPIN/spinmin/in.spin.bfo_min_lbfgs
index 56cd6b8fae..055903ab04 100644
--- a/examples/SPIN/spinmin/in.spinmin_lbfgs.bfo
+++ b/examples/SPIN/spinmin/in.spin.bfo_min_lbfgs
@@ -52,4 +52,4 @@ dump 		1 all custom 50 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3
 min_style	spin/lbfgs
 # min_modify 	line spin_cubic discrete_factor 10.0
 min_modify	norm max
-minimize        1.0e-15 1.0e-10 10000 1000
+minimize        1.0e-15 1.0e-10 1000 100
diff --git a/examples/SPIN/spinmin/in.spinmin.iron b/examples/SPIN/spinmin/in.spin.iron_min
similarity index 94%
rename from examples/SPIN/spinmin/in.spinmin.iron
rename to examples/SPIN/spinmin/in.spin.iron_min
index ebbd229b89..9ed07eccc7 100644
--- a/examples/SPIN/spinmin/in.spinmin.iron
+++ b/examples/SPIN/spinmin/in.spin.iron_min
@@ -9,7 +9,7 @@ atom_style 	spin
 atom_modify 	map array 
 
 lattice 	bcc 2.8665
-region 		box block 0.0 4.0 0.0 4.0 0.0 4.0
+region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
 create_box 	1 box
 create_atoms 	1 box
 
@@ -52,4 +52,4 @@ dump 		1 all custom 100 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[
 
 min_style	spin
 min_modify 	alpha_damp 1.0 discrete_factor 10.0
-minimize        1.0e-10 1.0e-10 100000 1000
+minimize        1.0e-10 1.0e-10 1000 100
diff --git a/examples/SPIN/spinmin/log.19Nov19.spin.bfo_min.g++.1 b/examples/SPIN/spinmin/log.19Nov19.spin.bfo_min.g++.1
new file mode 100644
index 0000000000..61b6ad8700
--- /dev/null
+++ b/examples/SPIN/spinmin/log.19Nov19.spin.bfo_min.g++.1
@@ -0,0 +1,148 @@
+LAMMPS (30 Oct 2019)
+# bfo in a 3d periodic box
+
+units 		metal
+dimension 	3
+boundary 	p p f
+atom_style 	spin
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	sc 3.96
+Lattice spacing in x,y,z = 3.96 3.96 3.96
+region 		box block 0.0 34.0 0.0 34.0 0.0 5.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (134.64 134.64 19.8)
+  1 by 1 by 1 MPI processor grid
+create_atoms 	1 box
+Created 5780 atoms
+  create_atoms CPU = 0.00107217 secs
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 1.0
+set 		group all spin/random 11 2.50
+  5780 settings made for spin/random
+
+pair_style 	hybrid/overlay spin/exchange 6.0 spin/magelec 4.5 spin/dmi 4.5
+pair_coeff 	* * spin/exchange exchange 6.0 -0.01575 0.0 1.965
+#pair_coeff 	* * spin/magelec magelec 4.5 0.000109 1.0 1.0 1.0
+pair_coeff 	* * spin/magelec magelec 4.5 0.00109 1.0 1.0 1.0
+pair_coeff 	* * spin/dmi dmi 4.5 0.00005 1.0 1.0 1.0
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+#fix 		1 all precession/spin zeeman 0.001 0.0 0.0 1.0 anisotropy 0.01 1.0 0.0 0.0
+fix 		1 all precession/spin anisotropy 0.0000033 0.0 0.0 1.0
+fix_modify	1 energy yes
+
+timestep	0.0001
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo          50
+thermo_style    custom step time v_magnorm v_emag v_tmag temp etotal
+thermo_modify   format float %20.15g
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 50 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
+
+min_style	spin
+min_modify 	alpha_damp 1.0 discrete_factor 10.0
+minimize        1.0e-10 0.0 1000 100
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (../min.cpp:177)
+WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:87)
+WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:87)
+WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:87)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.1
+  ghost atom cutoff = 6.1
+  binsize = 3.05, bins = 45 45 7
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (2) pair spin/magelec, perpetual, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+  (3) pair spin/dmi, perpetual, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 8.331 | 8.331 | 8.331 Mbytes
+Step Time v_magnorm v_emag v_tmag Temp TotEng 
+       0                    0   0.0100717228668283   -0.163834417271778     14831.3069413956                    0  -0.0819172086358848 
+      50                0.005 0.000106105812337003    -128.307447484203    0.104264818055985                    0    -64.1537237421011 
+     100                 0.01 7.95347901119144e-06    -131.449389798071   0.0221943604064967                    0    -65.7246948990356 
+     150                0.015 5.63006161138875e-07    -132.296453030419   0.0085472877724348                    0    -66.1482265152089 
+     200                 0.02 5.07390677383517e-07    -132.622857703805  0.00361380451198708                    0    -66.3114288519012 
+     250                0.025 3.28458336892231e-07    -132.774411992703  0.00187753161968493                    0    -66.3872059963511 
+     300                 0.03 1.93294839202864e-07    -132.861283726084  0.00121374398924599                    0    -66.4306418630428 
+     350                0.035 1.13872157437693e-07    -132.923137019136 0.000954736871701507                    0    -66.4615685095675 
+     400                 0.04 6.42075545620808e-08    -132.975239148591 0.000854064736183609                    0    -66.4876195742954 
+     450                0.045 3.44210513403008e-08    -133.023523287306 0.000812909459005007                    0    -66.5117616436536 
+     500                 0.05 1.80394981485933e-08    -133.070071976252 0.000789742875305133                    0    -66.5350359881254 
+     550                0.055 9.54697157105863e-09     -133.11541233939 0.000769860218895372                    0    -66.5577061696963 
+     600                 0.06 5.22455110720346e-09    -133.159676447906 0.000752941158466282                    0    -66.5798382239526 
+     650                0.065 2.95172977724016e-09    -133.203196195612 0.000745065216626277                    0    -66.6015980978057 
+     700                 0.07  1.6727567441294e-09    -133.246696814329 0.000752898926000619                    0    -66.6233484071653 
+     750                0.075 9.17127001723567e-10    -133.291227007554 0.000780491405791262                    0    -66.6456135037769 
+     800                 0.08 4.72669535949609e-10    -133.337962593396 0.000827942834401386                    0    -66.6689812966976 
+     850                0.085 2.25696738407094e-10    -133.387945245851 0.000890246383931885                    0    -66.6939726229243 
+     900                 0.09  1.0030717061716e-10    -133.441737087546 0.000955403731484674                    0     -66.720868543773 
+     950                0.095 4.19867626359036e-11    -133.498969798312  0.00100352240545389                    0    -66.7494848991554 
+    1000                  0.1 1.64283478182092e-11    -133.557979904763  0.00101162410316333                    0    -66.7789899523816 
+Loop time of 9.23057 on 1 procs for 1000 steps with 5780 atoms
+
+99.9% CPU use with 1 MPI tasks x no OpenMP threads
+
+Minimization stats:
+  Stopping criterion = max iterations
+  Energy initial, next-to-last, final = 
+      -0.0819172086359      -66.778399627     -66.7789899524
+  Force two-norm initial, final = 0 0
+  Force max component initial, final = 0 0
+  Final line search alpha, max atom move = 0 0
+  Iterations, force evaluations = 1000 1000
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 8.7576     | 8.7576     | 8.7576     |   0.0 | 94.88
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.023815   | 0.023815   | 0.023815   |   0.0 |  0.26
+Output  | 0.31665    | 0.31665    | 0.31665    |   0.0 |  3.43
+Modify  | 0.029446   | 0.029446   | 0.029446   |   0.0 |  0.32
+Other   |            | 0.1031     |            |       |  1.12
+
+Nlocal:    5780 ave 5780 max 5780 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1065 ave 1065 max 1065 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  92480 ave 92480 max 92480 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 92480
+Ave neighs/atom = 16
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:09
diff --git a/examples/SPIN/spinmin/log.19Nov19.spin.bfo_min.g++.4 b/examples/SPIN/spinmin/log.19Nov19.spin.bfo_min.g++.4
new file mode 100644
index 0000000000..efc4628b9e
--- /dev/null
+++ b/examples/SPIN/spinmin/log.19Nov19.spin.bfo_min.g++.4
@@ -0,0 +1,148 @@
+LAMMPS (30 Oct 2019)
+# bfo in a 3d periodic box
+
+units 		metal
+dimension 	3
+boundary 	p p f
+atom_style 	spin
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	sc 3.96
+Lattice spacing in x,y,z = 3.96 3.96 3.96
+region 		box block 0.0 34.0 0.0 34.0 0.0 5.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (134.64 134.64 19.8)
+  2 by 2 by 1 MPI processor grid
+create_atoms 	1 box
+Created 5780 atoms
+  create_atoms CPU = 0.00102711 secs
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 1.0
+set 		group all spin/random 11 2.50
+  5780 settings made for spin/random
+
+pair_style 	hybrid/overlay spin/exchange 6.0 spin/magelec 4.5 spin/dmi 4.5
+pair_coeff 	* * spin/exchange exchange 6.0 -0.01575 0.0 1.965
+#pair_coeff 	* * spin/magelec magelec 4.5 0.000109 1.0 1.0 1.0
+pair_coeff 	* * spin/magelec magelec 4.5 0.00109 1.0 1.0 1.0
+pair_coeff 	* * spin/dmi dmi 4.5 0.00005 1.0 1.0 1.0
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+#fix 		1 all precession/spin zeeman 0.001 0.0 0.0 1.0 anisotropy 0.01 1.0 0.0 0.0
+fix 		1 all precession/spin anisotropy 0.0000033 0.0 0.0 1.0
+fix_modify	1 energy yes
+
+timestep	0.0001
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo          50
+thermo_style    custom step time v_magnorm v_emag v_tmag temp etotal
+thermo_modify   format float %20.15g
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 50 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
+
+min_style	spin
+min_modify 	alpha_damp 1.0 discrete_factor 10.0
+minimize        1.0e-10 0.0 1000 100
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (../min.cpp:177)
+WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:87)
+WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:87)
+WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:87)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.1
+  ghost atom cutoff = 6.1
+  binsize = 3.05, bins = 45 45 7
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (2) pair spin/magelec, perpetual, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+  (3) pair spin/dmi, perpetual, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 7.788 | 7.788 | 7.788 Mbytes
+Step Time v_magnorm v_emag v_tmag Temp TotEng 
+       0                    0   0.0100717228668283   -0.162177519662199      14970.709092345                    0   -0.157514482753586 
+      50                0.005 0.000134061770654521    -128.226118665465    0.102634444037434                    0    -128.286182424672 
+     100                 0.01 7.67769618983817e-06    -131.374599259781   0.0222596977749883                    0    -131.428418504308 
+     150                0.015 6.02904602224806e-07    -132.224372015825  0.00974271828169071                    0    -132.273190134602 
+     200                 0.02 6.50197247050491e-07    -132.573383315469  0.00374227079785921                    0    -132.617565541034 
+     250                0.025  4.4053438575152e-07    -132.729743470508   0.0019334097282578                    0    -132.770567114743 
+     300                 0.03 2.78356316513274e-07    -132.819255077939  0.00124938353773497                    0    -132.857574876413 
+     350                0.035 1.79684785125388e-07    -132.882714312877 0.000973166792896165                    0    -132.919261229742 
+     400                 0.04 1.10949878459078e-07    -132.935357748213 0.000852955460997588                    0    -132.970786605995 
+     450                0.045 6.49064465617817e-08    -132.982991683198 0.000790741148426224                    0    -133.017887798927 
+     500                 0.05 3.70514666559952e-08    -133.027689959766  0.00074794913288275                    0     -133.06256199189 
+     550                0.055 2.12433814830885e-08    -133.070148920145  0.00071263732127117                    0    -133.105417593745 
+     600                 0.06 1.24676590171361e-08    -133.110772798503 0.000685051841817325                    0     -133.14676746928 
+     650                0.065 7.53611859129351e-09    -133.150126417754 0.000669443562813208                    0    -133.187094895708 
+     700                 0.07 4.63539338651321e-09    -133.189024073453 0.000669619853917953                    0    -133.227152349439 
+     750                0.075 2.82145833974835e-09     -133.22844627026 0.000687338035086961                    0    -133.267881315198 
+     800                 0.08 1.64378151566173e-09    -133.269413776733 0.000722197692175127                    0    -133.310284062463 
+     850                0.085   8.883310104497e-10    -133.312863108454 0.000771645398804486                    0    -133.355293578462 
+     900                 0.09 4.33874801863461e-10    -133.359507749172 0.000830255722998156                    0    -133.403626236688 
+     950                0.095  1.8812784924272e-10    -133.409630495316 0.000888348219681112                    0    -133.455560507802 
+    1000                  0.1 7.17748875671948e-11    -133.462806227865 0.000931427722404681                    0    -133.510640942679 
+Loop time of 2.53419 on 4 procs for 1000 steps with 5780 atoms
+
+99.9% CPU use with 4 MPI tasks x no OpenMP threads
+
+Minimization stats:
+  Stopping criterion = max iterations
+  Energy initial, next-to-last, final = 
+       -0.157514482754     -133.509516066     -133.510640943
+  Force two-norm initial, final = 0 0
+  Force max component initial, final = 0 0
+  Final line search alpha, max atom move = 0 0
+  Iterations, force evaluations = 1000 1000
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.2697     | 2.2995     | 2.3564     |   2.2 | 90.74
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.05711    | 0.11414    | 0.14368    |  10.1 |  4.50
+Output  | 0.084883   | 0.084915   | 0.084985   |   0.0 |  3.35
+Modify  | 0.0071826  | 0.0072024  | 0.0072234  |   0.0 |  0.28
+Other   |            | 0.02847    |            |       |  1.12
+
+Nlocal:    1445 ave 1445 max 1445 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Nghost:    555 ave 555 max 555 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  23120 ave 23120 max 23120 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 92480
+Ave neighs/atom = 16
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:02
diff --git a/examples/SPIN/spinmin/log.19Nov19.spin.bfo_min_cg.g++.1 b/examples/SPIN/spinmin/log.19Nov19.spin.bfo_min_cg.g++.1
new file mode 100644
index 0000000000..ffd244b146
--- /dev/null
+++ b/examples/SPIN/spinmin/log.19Nov19.spin.bfo_min_cg.g++.1
@@ -0,0 +1,141 @@
+LAMMPS (30 Oct 2019)
+# bfo in a 3d periodic box
+
+units 		metal
+dimension 	3
+boundary 	p p f
+atom_style 	spin
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	sc 3.96
+Lattice spacing in x,y,z = 3.96 3.96 3.96
+region 		box block 0.0 34.0 0.0 34.0 0.0 5.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (134.64 134.64 19.8)
+  1 by 1 by 1 MPI processor grid
+create_atoms 	1 box
+Created 5780 atoms
+  create_atoms CPU = 0.00135589 secs
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 1.0
+set 		group all spin/random 11 2.50
+  5780 settings made for spin/random
+
+pair_style 	hybrid/overlay spin/exchange 6.0 spin/magelec 4.5 spin/dmi 4.5
+pair_coeff 	* * spin/exchange exchange 6.0 -0.01575 0.0 1.965
+# pair_coeff 	* * spin/magelec magelec 4.5 0.000109 1.0 1.0 1.0
+pair_coeff 	* * spin/magelec magelec 4.5 0.00109 1.0 1.0 1.0
+pair_coeff 	* * spin/dmi dmi 4.5 0.00005 1.0 1.0 1.0
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin anisotropy 0.0000033 0.0 0.0 1.0
+fix_modify	1 energy yes
+
+timestep	0.0001
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo          100
+thermo_style    custom step time v_magnorm v_emag v_tmag temp etotal
+thermo_modify   format float %20.15g
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 50 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
+
+min_style	spin/cg
+# min_modify 	line spin_none discrete_factor 10.0
+minimize        1.0e-10 1.0e-10 1000 100
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (../min.cpp:177)
+WARNING: Line search incompatible gneb (../min_spin_cg.cpp:105)
+WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:87)
+WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:87)
+WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:87)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.1
+  ghost atom cutoff = 6.1
+  binsize = 3.05, bins = 45 45 7
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (2) pair spin/magelec, perpetual, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+  (3) pair spin/dmi, perpetual, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 8.331 | 8.331 | 8.331 Mbytes
+Step Time v_magnorm v_emag v_tmag Temp TotEng 
+       0                    0   0.0100717228668283   -0.163834417271778     14831.3069413956                    0  -0.0819172086358848 
+     100                 0.01 8.80197005314557e-06     -132.80634639767  0.00226660536216922                    0    -66.4031731988347 
+     200                 0.02 6.70903250218956e-06    -133.127078243354  0.00103783628361662                    0     -66.563539121677 
+     300                 0.03  4.5381603452565e-06    -133.471076972345  0.00144833375067451                    0    -66.7355384861738 
+     400                 0.04 9.04820921016732e-07    -133.767843456662 0.000682239601485924                    0    -66.8839217283314 
+     500                 0.05  1.6866160174916e-06    -133.893922160731  0.00032462625992713                    0     -66.946961080365 
+     600                 0.06 1.78038217785001e-06    -133.957222680701 0.000160730704849448                    0    -66.9786113403509 
+     700                 0.07 1.49199057723078e-06    -133.987255887786 7.39864656758093e-05                    0    -66.9936279438931 
+     800                 0.08 1.15173756711067e-06    -134.000921126053 3.33959465206462e-05                    0    -67.0004605630278 
+     900                 0.09 8.48526364752965e-07    -134.007049858868 1.49345737358251e-05                    0    -67.0035249294347 
+    1000                  0.1 6.10346492876059e-07    -134.009791515671 6.71648807105468e-06                    0    -67.0048957578347 
+Loop time of 9.4449 on 1 procs for 1000 steps with 5780 atoms
+
+100.0% CPU use with 1 MPI tasks x no OpenMP threads
+
+Minimization stats:
+  Stopping criterion = max iterations
+  Energy initial, next-to-last, final = 
+      -0.0819172086359     -67.0048809251     -67.0048957578
+  Force two-norm initial, final = 0 0
+  Force max component initial, final = 0 0
+  Final line search alpha, max atom move = 2.122e-314 0
+  Iterations, force evaluations = 1000 1000
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 8.7686     | 8.7686     | 8.7686     |   0.0 | 92.84
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.02386    | 0.02386    | 0.02386    |   0.0 |  0.25
+Output  | 0.31808    | 0.31808    | 0.31808    |   0.0 |  3.37
+Modify  | 0.029416   | 0.029416   | 0.029416   |   0.0 |  0.31
+Other   |            | 0.305      |            |       |  3.23
+
+Nlocal:    5780 ave 5780 max 5780 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1065 ave 1065 max 1065 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  92480 ave 92480 max 92480 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 92480
+Ave neighs/atom = 16
+Neighbor list builds = 0
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:09
diff --git a/examples/SPIN/spinmin/log.19Nov19.spin.bfo_min_cg.g++.4 b/examples/SPIN/spinmin/log.19Nov19.spin.bfo_min_cg.g++.4
new file mode 100644
index 0000000000..730bf477d4
--- /dev/null
+++ b/examples/SPIN/spinmin/log.19Nov19.spin.bfo_min_cg.g++.4
@@ -0,0 +1,141 @@
+LAMMPS (30 Oct 2019)
+# bfo in a 3d periodic box
+
+units 		metal
+dimension 	3
+boundary 	p p f
+atom_style 	spin
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	sc 3.96
+Lattice spacing in x,y,z = 3.96 3.96 3.96
+region 		box block 0.0 34.0 0.0 34.0 0.0 5.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (134.64 134.64 19.8)
+  2 by 2 by 1 MPI processor grid
+create_atoms 	1 box
+Created 5780 atoms
+  create_atoms CPU = 0.00138712 secs
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 1.0
+set 		group all spin/random 11 2.50
+  5780 settings made for spin/random
+
+pair_style 	hybrid/overlay spin/exchange 6.0 spin/magelec 4.5 spin/dmi 4.5
+pair_coeff 	* * spin/exchange exchange 6.0 -0.01575 0.0 1.965
+# pair_coeff 	* * spin/magelec magelec 4.5 0.000109 1.0 1.0 1.0
+pair_coeff 	* * spin/magelec magelec 4.5 0.00109 1.0 1.0 1.0
+pair_coeff 	* * spin/dmi dmi 4.5 0.00005 1.0 1.0 1.0
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin anisotropy 0.0000033 0.0 0.0 1.0
+fix_modify	1 energy yes
+
+timestep	0.0001
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo          100
+thermo_style    custom step time v_magnorm v_emag v_tmag temp etotal
+thermo_modify   format float %20.15g
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 50 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
+
+min_style	spin/cg
+# min_modify 	line spin_none discrete_factor 10.0
+minimize        1.0e-10 1.0e-10 1000 100
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (../min.cpp:177)
+WARNING: Line search incompatible gneb (../min_spin_cg.cpp:105)
+WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:87)
+WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:87)
+WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:87)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.1
+  ghost atom cutoff = 6.1
+  binsize = 3.05, bins = 45 45 7
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (2) pair spin/magelec, perpetual, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+  (3) pair spin/dmi, perpetual, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 7.788 | 7.788 | 7.788 Mbytes
+Step Time v_magnorm v_emag v_tmag Temp TotEng 
+       0                    0   0.0100717228668283   -0.162177519662199      14970.709092345                    0   -0.157514482753586 
+     100                 0.01 8.97646420936397e-06    -132.756468673032  0.00226858475243123                    0     -132.79881239587 
+     200                 0.02  5.7049674439631e-06    -133.065966570145 0.000924384747875186                    0    -133.105411060402 
+     300                 0.03 7.08166486348038e-06    -133.359072681024  0.00128114254070688                    0    -133.406669528642 
+     400                 0.04 4.60224970353229e-06    -133.668643035703 0.000822334798448062                    0    -133.725353643022 
+     500                 0.05 3.13737045264193e-06    -133.819548711647 0.000369678417461456                    0    -133.878037514585 
+     600                 0.06 2.55239214469856e-06    -133.889302880669   0.0001696142482835                    0    -133.948327309746 
+     700                 0.07 1.92236411979341e-06    -133.920147501261 7.31985644003847e-05                    0    -133.979597440788 
+     800                 0.08 1.40879742055238e-06    -133.933445418833 3.19349095035109e-05                    0    -133.993344750158 
+     900                 0.09 1.02629246257047e-06    -133.939321574068 1.44399877051467e-05                    0    -133.999611147322 
+    1000                  0.1 7.52253147824893e-07    -133.942032102451 6.85789018963965e-06                    0    -134.002604512509 
+Loop time of 2.49676 on 4 procs for 1000 steps with 5780 atoms
+
+100.0% CPU use with 4 MPI tasks x no OpenMP threads
+
+Minimization stats:
+  Stopping criterion = max iterations
+  Energy initial, next-to-last, final = 
+       -0.157514482754      -134.00257032     -134.002604513
+  Force two-norm initial, final = 0 0
+  Force max component initial, final = 0 0
+  Final line search alpha, max atom move = 0 0
+  Iterations, force evaluations = 1000 1000
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.2509     | 2.2589     | 2.2629     |   0.3 | 90.47
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.06036    | 0.064254   | 0.072356   |   1.9 |  2.57
+Output  | 0.084002   | 0.085009   | 0.085985   |   0.3 |  3.40
+Modify  | 0.0072496  | 0.0072694  | 0.0073116  |   0.0 |  0.29
+Other   |            | 0.08134    |            |       |  3.26
+
+Nlocal:    1445 ave 1445 max 1445 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Nghost:    555 ave 555 max 555 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  23120 ave 23120 max 23120 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 92480
+Ave neighs/atom = 16
+Neighbor list builds = 0
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:02
diff --git a/examples/SPIN/spinmin/log.19Nov19.spin.bfo_min_lbfgs.g++.1 b/examples/SPIN/spinmin/log.19Nov19.spin.bfo_min_lbfgs.g++.1
new file mode 100644
index 0000000000..a8685eb2cf
--- /dev/null
+++ b/examples/SPIN/spinmin/log.19Nov19.spin.bfo_min_lbfgs.g++.1
@@ -0,0 +1,139 @@
+LAMMPS (30 Oct 2019)
+# bfo in a 3d periodic box
+
+units 		metal
+dimension 	3
+boundary 	p p f
+atom_style 	spin
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	sc 3.96
+Lattice spacing in x,y,z = 3.96 3.96 3.96
+region 		box block 0.0 34.0 0.0 34.0 0.0 1.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (134.64 134.64 3.96)
+  1 by 1 by 1 MPI processor grid
+create_atoms 	1 box
+Created 1156 atoms
+  create_atoms CPU = 0.00136805 secs
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 1.0
+set 		group all spin/random 11 2.50
+  1156 settings made for spin/random
+
+pair_style 	hybrid/overlay spin/exchange 6.0 spin/magelec 4.5 spin/dmi 4.5
+pair_coeff 	* * spin/exchange exchange 6.0 -0.01575 0.0 1.965
+#pair_coeff 	* * spin/magelec magelec 4.5 0.000109 1.0 1.0 1.0
+pair_coeff 	* * spin/magelec magelec 4.5 0.00109 1.0 1.0 1.0
+pair_coeff 	* * spin/dmi dmi 4.5 0.00005 1.0 1.0 1.0
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin anisotropy 0.0000033 0.0 0.0 1.0
+fix_modify	1 energy yes
+
+timestep	0.0001
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo          50
+thermo_style    custom step time v_magnorm v_emag v_tmag temp etotal
+thermo_modify   format float %20.15g
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 50 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
+
+min_style	spin/lbfgs
+# min_modify 	line spin_cubic discrete_factor 10.0
+min_modify	norm max
+minimize        1.0e-15 1.0e-10 1000 100
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (../min.cpp:177)
+WARNING: Line search incompatible gneb (../min_spin_lbfgs.cpp:109)
+WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:87)
+WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:87)
+WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:87)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.1
+  ghost atom cutoff = 6.1
+  binsize = 3.05, bins = 45 45 2
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (2) pair spin/magelec, perpetual, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+  (3) pair spin/dmi, perpetual, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 7.748 | 7.748 | 7.748 Mbytes
+Step Time v_magnorm v_emag v_tmag Temp TotEng 
+       0                    0   0.0205636053306396   -0.218504643888467     1537.40479337332                    0   -0.109252321944233 
+      50                0.005 0.000800557938107919    -19.2937186217138    0.293526226015746                    0    -9.65918446070018 
+     100                 0.01 0.000434178067296136    -19.6225314972776    0.136842093090897                    0    -9.81803976806459 
+     150                0.015 9.48307628510239e-06    -19.7062424007137 0.000835148627123792                    0    -9.85315267460932 
+     200                 0.02 9.40072944704056e-06    -19.7072931204571 7.72334770010361e-06                    0    -9.85364693487844 
+     250                0.025 5.05117500164935e-07    -19.7072952885901 5.72437821949831e-08                    0    -9.85364764712939 
+     300                 0.03 2.15063977474981e-09     -19.707295295749 2.09970244523395e-12                    0     -9.8536476478746 
+     303               0.0303 1.43831710574092e-09    -19.7072952957498 1.70336397715489e-13                    0    -9.85364764787493 
+Loop time of 0.335897 on 1 procs for 303 steps with 1156 atoms
+
+100.0% CPU use with 1 MPI tasks x no OpenMP threads
+
+Minimization stats:
+  Stopping criterion = energy tolerance
+  Energy initial, next-to-last, final = 
+       -0.109252321944     -9.85364764787     -9.85364764787
+  Force two-norm initial, final = 0 0
+  Force max component initial, final = 0 0
+  Final line search alpha, max atom move = 0 0
+  Iterations, force evaluations = 303 303
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.28129    | 0.28129    | 0.28129    |   0.0 | 83.74
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.0010796  | 0.0010796  | 0.0010796  |   0.0 |  0.32
+Output  | 0.017942   | 0.017942   | 0.017942   |   0.0 |  5.34
+Modify  | 0.001771   | 0.001771   | 0.001771   |   0.0 |  0.53
+Other   |            | 0.03382    |            |       | 10.07
+
+Nlocal:    1156 ave 1156 max 1156 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    213 ave 213 max 213 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  9248 ave 9248 max 9248 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 9248
+Ave neighs/atom = 8
+Neighbor list builds = 0
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:00
diff --git a/examples/SPIN/spinmin/log.19Nov19.spin.bfo_min_lbfgs.g++.4 b/examples/SPIN/spinmin/log.19Nov19.spin.bfo_min_lbfgs.g++.4
new file mode 100644
index 0000000000..f2756d0f5e
--- /dev/null
+++ b/examples/SPIN/spinmin/log.19Nov19.spin.bfo_min_lbfgs.g++.4
@@ -0,0 +1,139 @@
+LAMMPS (30 Oct 2019)
+# bfo in a 3d periodic box
+
+units 		metal
+dimension 	3
+boundary 	p p f
+atom_style 	spin
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	sc 3.96
+Lattice spacing in x,y,z = 3.96 3.96 3.96
+region 		box block 0.0 34.0 0.0 34.0 0.0 1.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (134.64 134.64 3.96)
+  2 by 2 by 1 MPI processor grid
+create_atoms 	1 box
+Created 1156 atoms
+  create_atoms CPU = 0.000981808 secs
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 1.0
+set 		group all spin/random 11 2.50
+  1156 settings made for spin/random
+
+pair_style 	hybrid/overlay spin/exchange 6.0 spin/magelec 4.5 spin/dmi 4.5
+pair_coeff 	* * spin/exchange exchange 6.0 -0.01575 0.0 1.965
+#pair_coeff 	* * spin/magelec magelec 4.5 0.000109 1.0 1.0 1.0
+pair_coeff 	* * spin/magelec magelec 4.5 0.00109 1.0 1.0 1.0
+pair_coeff 	* * spin/dmi dmi 4.5 0.00005 1.0 1.0 1.0
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin anisotropy 0.0000033 0.0 0.0 1.0
+fix_modify	1 energy yes
+
+timestep	0.0001
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo          50
+thermo_style    custom step time v_magnorm v_emag v_tmag temp etotal
+thermo_modify   format float %20.15g
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 50 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
+
+min_style	spin/lbfgs
+# min_modify 	line spin_cubic discrete_factor 10.0
+min_modify	norm max
+minimize        1.0e-15 1.0e-10 1000 100
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (../min.cpp:177)
+WARNING: Line search incompatible gneb (../min_spin_lbfgs.cpp:109)
+WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:87)
+WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:87)
+WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:87)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.1
+  ghost atom cutoff = 6.1
+  binsize = 3.05, bins = 45 45 2
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (2) pair spin/magelec, perpetual, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+  (3) pair spin/dmi, perpetual, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 7.619 | 7.619 | 7.619 Mbytes
+Step Time v_magnorm v_emag v_tmag Temp TotEng 
+       0                    0   0.0205636053306396   -0.217760509274282     1541.29975585882                    0   -0.217230771393012 
+      50                0.005 0.000966655616837406    -19.2878369426356    0.312860071233841                    0    -19.3229939390148 
+     100                 0.01  0.00154452800191107    -19.5948898197917    0.365367666925029                    0    -19.6389064900413 
+     150                0.015 4.89955946750017e-05    -19.6962580067431 0.000385536538802408                    0    -19.7047140195852 
+     200                 0.02 5.66300530875654e-05    -19.6975252647309  9.8679922880911e-05                    0    -19.7059140354146 
+     250                0.025 5.21141123128679e-08    -19.6975359469038 2.52554968535685e-09                    0    -19.7059189333986 
+     300                 0.03  2.9845103782958e-09    -19.6975359475094 2.31782597655471e-11                    0    -19.7059191124033 
+     342               0.0342  1.0526549233076e-10    -19.6975359475123 3.65641352240487e-16                    0    -19.7059191178145 
+Loop time of 0.117672 on 4 procs for 342 steps with 1156 atoms
+
+99.4% CPU use with 4 MPI tasks x no OpenMP threads
+
+Minimization stats:
+  Stopping criterion = force tolerance
+  Energy initial, next-to-last, final = 
+       -0.217230771393     -19.7059191178     -19.7059191178
+  Force two-norm initial, final = 0 0
+  Force max component initial, final = 0 0
+  Final line search alpha, max atom move = 0 0
+  Iterations, force evaluations = 342 342
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.084558   | 0.086668   | 0.091471   |   1.0 | 73.65
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.0052197  | 0.010042   | 0.012191   |   2.8 |  8.53
+Output  | 0.0050647  | 0.0050726  | 0.0050921  |   0.0 |  4.31
+Modify  | 0.00052595 | 0.00053537 | 0.00055242 |   0.0 |  0.45
+Other   |            | 0.01535    |            |       | 13.05
+
+Nlocal:    289 ave 289 max 289 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Nghost:    111 ave 111 max 111 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  2312 ave 2312 max 2312 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 9248
+Ave neighs/atom = 8
+Neighbor list builds = 0
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:00
diff --git a/examples/SPIN/spinmin/log.19Nov19.spin.iron_min.g++.1 b/examples/SPIN/spinmin/log.19Nov19.spin.iron_min.g++.1
new file mode 100644
index 0000000000..6df5959c0b
--- /dev/null
+++ b/examples/SPIN/spinmin/log.19Nov19.spin.iron_min.g++.1
@@ -0,0 +1,126 @@
+LAMMPS (30 Oct 2019)
+# bcc iron in a 3d periodic box
+
+units 		metal
+dimension 	3
+boundary 	p p f
+atom_style 	spin
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	bcc 2.8665
+Lattice spacing in x,y,z = 2.8665 2.8665 2.8665
+region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (14.3325 14.3325 14.3325)
+  1 by 1 by 1 MPI processor grid
+create_atoms 	1 box
+Created 250 atoms
+  create_atoms CPU = 0.000965834 secs
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 55.845
+set 		group all spin/random 31 2.2
+  250 settings made for spin/random
+#set 		group all spin 2.2 1.0 1.0 -1.0
+
+pair_style 	spin/exchange 3.5
+pair_coeff 	* * exchange 3.4 0.02726 0.2171 1.841
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+#fix 		1 all precession/spin zeeman 0.001 0.0 0.0 1.0 anisotropy 0.01 1.0 0.0 0.0
+fix 		1 all precession/spin anisotropy 0.0001 0.0 0.0 1.0
+fix_modify	1 energy yes
+
+timestep	0.0001
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magx      equal c_out_mag[1]
+variable 	magy      equal c_out_mag[2]
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo          100
+thermo_style    custom step time v_magx v_magz v_magnorm v_tmag etotal
+thermo_modify   format float %20.15g
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 100 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
+
+min_style	spin
+min_modify 	alpha_damp 1.0 discrete_factor 10.0
+minimize        1.0e-10 1.0e-10 1000 100
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (../min.cpp:177)
+WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:87)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 3.6
+  ghost atom cutoff = 3.6
+  binsize = 1.8, bins = 8 8 8
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 6.848 | 6.848 | 6.848 Mbytes
+Step Time v_magx v_magz v_magnorm v_tmag TotEng 
+       0                    0  -0.0285071136621457 -0.00948990815281275   0.0764569750905723     5048.56076237679   -0.354774619362398 
+     100                 0.01   -0.584953861980204  -0.0517163256267969    0.999992350892306 6.25556948778472e-05    -25.2894057771132 
+     200                 0.02   -0.584864756506845  -0.0547143484057153    0.999999990495506 3.49782260454062e-06     -25.289435991418 
+     300                 0.03     -0.5847600493607  -0.0578846348986585    0.999999999988174 3.83095226805016e-06    -25.2894449433165 
+     400                 0.04   -0.584642875238893  -0.0612373075362701    0.999999999999986 4.28575832708226e-06    -25.2894549277735 
+     500                 0.05   -0.584511765589529  -0.0647826190376231                    1 4.79421486949086e-06    -25.2894660972709 
+     600                 0.06   -0.584365074206159  -0.0685313536438759                    1 5.36242072641834e-06    -25.2894785912384 
+     700                 0.07   -0.584200963215273   -0.072494846958872                    1 5.99725249459222e-06    -25.2894925651485 
+     800                 0.08   -0.584017381477007  -0.0766850043611195    0.999999999999999 6.70634191991825e-06     -25.289508192325 
+     900                 0.09   -0.583812040722351  -0.0811143180675364    0.999999999999999 7.49814943594148e-06    -25.2895256658925 
+    1000                  0.1   -0.583582389243979  -0.0857958823565731    0.999999999999998 8.38204259112222e-06    -25.2895452009133 
+Loop time of 0.195254 on 1 procs for 1000 steps with 250 atoms
+
+100.0% CPU use with 1 MPI tasks x no OpenMP threads
+
+Minimization stats:
+  Stopping criterion = max iterations
+  Energy initial, next-to-last, final = 
+       -0.354774619362     -25.2895449946     -25.2895452009
+  Force two-norm initial, final = 0 0
+  Force max component initial, final = 0 0
+  Final line search alpha, max atom move = 0 0
+  Iterations, force evaluations = 1000 1000
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.17668    | 0.17668    | 0.17668    |   0.0 | 90.49
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.0052176  | 0.0052176  | 0.0052176  |   0.0 |  2.67
+Output  | 0.0067751  | 0.0067751  | 0.0067751  |   0.0 |  3.47
+Modify  | 0.0013788  | 0.0013788  | 0.0013788  |   0.0 |  0.71
+Other   |            | 0.005203   |            |       |  2.66
+
+Nlocal:    250 ave 250 max 250 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    315 ave 315 max 315 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  3200 ave 3200 max 3200 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 3200
+Ave neighs/atom = 12.8
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/examples/SPIN/spinmin/log.19Nov19.spin.iron_min.g++.4 b/examples/SPIN/spinmin/log.19Nov19.spin.iron_min.g++.4
new file mode 100644
index 0000000000..b0cdd4f94a
--- /dev/null
+++ b/examples/SPIN/spinmin/log.19Nov19.spin.iron_min.g++.4
@@ -0,0 +1,126 @@
+LAMMPS (30 Oct 2019)
+# bcc iron in a 3d periodic box
+
+units 		metal
+dimension 	3
+boundary 	p p f
+atom_style 	spin
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	bcc 2.8665
+Lattice spacing in x,y,z = 2.8665 2.8665 2.8665
+region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (14.3325 14.3325 14.3325)
+  1 by 2 by 2 MPI processor grid
+create_atoms 	1 box
+Created 250 atoms
+  create_atoms CPU = 0.000759125 secs
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 55.845
+set 		group all spin/random 31 2.2
+  250 settings made for spin/random
+#set 		group all spin 2.2 1.0 1.0 -1.0
+
+pair_style 	spin/exchange 3.5
+pair_coeff 	* * exchange 3.4 0.02726 0.2171 1.841
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+#fix 		1 all precession/spin zeeman 0.001 0.0 0.0 1.0 anisotropy 0.01 1.0 0.0 0.0
+fix 		1 all precession/spin anisotropy 0.0001 0.0 0.0 1.0
+fix_modify	1 energy yes
+
+timestep	0.0001
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magx      equal c_out_mag[1]
+variable 	magy      equal c_out_mag[2]
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo          100
+thermo_style    custom step time v_magx v_magz v_magnorm v_tmag etotal
+thermo_modify   format float %20.15g
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 100 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
+
+min_style	spin
+min_modify 	alpha_damp 1.0 discrete_factor 10.0
+minimize        1.0e-10 1.0e-10 1000 100
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (../min.cpp:177)
+WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:87)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 3.6
+  ghost atom cutoff = 3.6
+  binsize = 1.8, bins = 8 8 8
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 6.828 | 6.829 | 6.829 Mbytes
+Step Time v_magx v_magz v_magnorm v_tmag TotEng 
+       0                    0  -0.0285071136621457 -0.00948990815281275   0.0764569750905723      5048.5607623768   -0.701465876910695 
+     100                 0.01   -0.584953861980204  -0.0517163256267969    0.999992350892306 6.25556948778489e-05    -50.5787443620229 
+     200                 0.02   -0.584864756506845  -0.0547143484057154    0.999999990495506 3.49782260454051e-06    -50.5787971409246 
+     300                 0.03     -0.5847600493607  -0.0578846348986585    0.999999999988173 3.83095226804998e-06    -50.5788061208592 
+     400                 0.04   -0.584642875238891    -0.06123730753627    0.999999999999984 4.28575832708228e-06    -50.5788161053499 
+     500                 0.05   -0.584511765589526  -0.0647826190376232    0.999999999999999 4.79421486949061e-06    -50.5788272748473 
+     600                 0.06   -0.584365074206158  -0.0685313536438759    0.999999999999999 5.36242072641826e-06    -50.5788397688148 
+     700                 0.07   -0.584200963215272  -0.0724948469588718                    1 5.99725249459218e-06    -50.5788537427249 
+     800                 0.08   -0.584017381477007  -0.0766850043611196                    1  6.7063419199184e-06    -50.5788693699014 
+     900                 0.09   -0.583812040722352  -0.0811143180675365    0.999999999999998 7.49814943594153e-06    -50.5788868434688 
+    1000                  0.1   -0.583582389243979  -0.0857958823565732    0.999999999999999 8.38204259112203e-06    -50.5789063784897 
+Loop time of 0.0845464 on 4 procs for 1000 steps with 250 atoms
+
+99.8% CPU use with 4 MPI tasks x no OpenMP threads
+
+Minimization stats:
+  Stopping criterion = max iterations
+  Energy initial, next-to-last, final = 
+       -0.701465876911     -50.5789061722     -50.5789063785
+  Force two-norm initial, final = 0 0
+  Force max component initial, final = 0 0
+  Final line search alpha, max atom move = 0 0
+  Iterations, force evaluations = 1000 1000
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.043007   | 0.045307   | 0.04776    |   0.8 | 53.59
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.026827   | 0.029139   | 0.031438   |   1.0 | 34.47
+Output  | 0.0023198  | 0.0023302  | 0.0023572  |   0.0 |  2.76
+Modify  | 0.00041103 | 0.0004673  | 0.00054026 |   0.0 |  0.55
+Other   |            | 0.007303   |            |       |  8.64
+
+Nlocal:    62.5 ave 65 max 60 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Nghost:    217.5 ave 240 max 195 min
+Histogram: 1 1 0 0 0 0 0 0 1 1
+Neighs:    0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  800 ave 825 max 775 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+
+Total # of neighbors = 3200
+Ave neighs/atom = 12.8
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/examples/SPIN/test_problems/README b/examples/SPIN/test_problems/README
new file mode 100644
index 0000000000..5557e3d42b
--- /dev/null
+++ b/examples/SPIN/test_problems/README
@@ -0,0 +1,47 @@
+** The objective of the benchmark examples in this directory 
+   is the following twofold: 
+- verify the implementation of the LAMMPS' SPIN package by 
+  comparing its results to well-known analytic results, or 
+  to simple test problems,
+- provide users with simple comparisons, allowing them to 
+  better understand what is implemented in the code.
+
+The LAMMPS input file (bench-*) can be modified, as well as the
+associated python script, in order to try different comparisons.
+
+All scripts can be run by executing the shell script from its
+directory. Example:
+./run-bench-exchange.sh from the benchmarck_damped_exchange/
+directory. 
+
+** Below a brief description of the different benchmark 
+   problems:
+
+- benchmarck_damped_precession:
+  simulates the damped precession of a single spin in a magnetic
+  field. 
+  Run as: ./run-bench-prec.sh
+  Output: x, y and z components of the magnetization, and
+  magnetic energy.
+
+- benchmarck_damped_exchange:
+  simulates two spins interacting through the exchange
+  interaction. The parameters in the LAMMPS input script
+  (bench-spin-precession.in) are calibrated to match the
+  exchange definition in the python script (llg_exchange.py). 
+  Run as: ./run-bench-exchange.sh
+  Output: average magnetization resulting from the damped 
+  precession of the two interacting spins. Also plots the 
+  evolution of the magnetic energy.
+  
+- benchmarck_langevin_precession:
+  simulates a single spin in a magnetic field and in contact
+  with a thermal bath, and compares the statistical averages of 
+  the output to the analytical result of the Langevin function. 
+  Run as: ./run-bench-prec.sh
+  Output: statistical average of the z-component of the
+  magnetization (along the applied field) and of the magnetic
+  energy versus temperature. Comparison to the Langevin function
+  results (computed by the python script).
+  Note: This example is a reworked version of a test problem 
+  provided by Martin Kroger (ETHZ).  
diff --git a/examples/SPIN/test_problems/validation_damped_exchange/bench-spin-precession.in b/examples/SPIN/test_problems/validation_damped_exchange/bench-spin-precession.in
new file mode 100644
index 0000000000..0ca49364d2
--- /dev/null
+++ b/examples/SPIN/test_problems/validation_damped_exchange/bench-spin-precession.in
@@ -0,0 +1,39 @@
+#LAMMPS in.run 
+ 
+units           metal
+atom_style      spin
+atom_modify     map array
+boundary        f f f 
+
+read_data	two_spins.data
+
+pair_style      spin/exchange 3.1
+pair_coeff	* * exchange 3.1 11.254 0.0 1.0
+
+group bead      type 1  
+ 
+variable        H equal 0.0
+variable        Kan equal 0.0
+variable        Temperature equal 0.0 
+variable        RUN equal 30000
+
+fix             1 all nve/spin lattice no
+fix             2 all precession/spin zeeman ${H} 0.0 0.0 1.0 anisotropy ${Kan} 0.0 0.0 1.0
+fix_modify      2 energy yes
+fix             3 all langevin/spin ${Temperature} 0.01 12345
+
+compute		out_mag    all spin
+compute		out_pe     all pe
+
+variable	magx      equal c_out_mag[1]
+variable	magy      equal c_out_mag[2]
+variable	magz      equal c_out_mag[3]
+variable	magnorm   equal c_out_mag[4]
+variable	emag      equal c_out_mag[5]
+
+thermo_style    custom step time v_magx v_magy v_magz v_emag pe etotal
+thermo          10
+
+timestep	0.0001
+
+run             ${RUN}
diff --git a/examples/SPIN/test_problems/validation_damped_exchange/llg_exchange.py b/examples/SPIN/test_problems/validation_damped_exchange/llg_exchange.py
new file mode 100755
index 0000000000..dd1c543bb3
--- /dev/null
+++ b/examples/SPIN/test_problems/validation_damped_exchange/llg_exchange.py
@@ -0,0 +1,70 @@
+#!/usr/bin/env python3
+
+import numpy as np , pylab, tkinter
+import math
+import matplotlib.pyplot as plt
+import mpmath as mp
+
+hbar=0.658212           # Planck's constant (eV.fs/rad)
+J0=0.05                 # per-neighbor exchange interaction (eV)
+S1 = np.array([1.0, 0.0, 0.0])
+S2 = np.array([0.0, 1.0, 0.0])
+alpha=0.01              # damping coefficient
+pi=math.pi
+
+N=30000                 # number of timesteps
+dt=0.1                  # timestep (fs)
+
+# Rodrigues rotation formula
+def rotation_matrix(axis, theta):
+  """
+  Return the rotation matrix associated with counterclockwise
+  rotation about the given axis by theta radians
+  """
+  axis = np.asarray(axis)
+  a = math.cos(theta / 2.0)
+  b, c, d = -axis * math.sin(theta / 2.0)
+  aa, bb, cc, dd = a * a, b * b, c * c, d * d
+  bc, ad, ac, ab, bd, cd = b * c, a * d, a * c, a * b, b * d, c * d
+  return np.array([[aa + bb - cc - dd, 2 * (bc + ad), 2 * (bd - ac)],
+      [2 * (bc - ad), aa + cc - bb - dd, 2 * (cd + ab)],
+      [2 * (bd + ac), 2 * (cd - ab), aa + dd - bb - cc]])
+
+# calculating precession field of spin Sr
+def calc_rot_vector(Sr,Sf):
+  rot = (J0/hbar)*(Sf-alpha*np.cross(Sf,Sr))/(1.0+alpha**2)
+  return rot
+  
+# second-order ST decomposition as implemented in LAMMPS 
+for t in range (0,N):
+  # advance s1 by dt/4
+  wf1 = calc_rot_vector(S1,S2)
+  theta=dt*np.linalg.norm(wf1)*0.25
+  axis=wf1/np.linalg.norm(wf1)
+  S1 = np.dot(rotation_matrix(axis, theta), S1)
+  # advance s2 by dt/2
+  wf2 = calc_rot_vector(S2,S1)
+  theta=dt*np.linalg.norm(wf2)*0.5
+  axis=wf2/np.linalg.norm(wf2)
+  S2 = np.dot(rotation_matrix(axis, theta), S2)
+  # advance s1 by dt/2
+  wf1 = calc_rot_vector(S1,S2)
+  theta=dt*np.linalg.norm(wf1)*0.5
+  axis=wf1/np.linalg.norm(wf1)
+  S1 = np.dot(rotation_matrix(axis, theta), S1)
+  # advance s2 by dt/2
+  wf2 = calc_rot_vector(S2,S1)
+  theta=dt*np.linalg.norm(wf2)*0.5
+  axis=wf2/np.linalg.norm(wf2)
+  S2 = np.dot(rotation_matrix(axis, theta), S2)
+  # advance s1 by dt/4
+  wf1 = calc_rot_vector(S1,S2)
+  theta=dt*np.linalg.norm(wf1)*0.25
+  axis=wf1/np.linalg.norm(wf1)
+  S1 = np.dot(rotation_matrix(axis, theta), S1)
+  # calc. average magnetization
+  Sm = (S1+S2)*0.5
+  # calc. energy
+  en = -J0*(np.dot(S1,S2))
+  # print res. in ps for comparison with LAMMPS
+  print(t*dt/1000.0,Sm[0],Sm[1],Sm[2],en)
diff --git a/examples/SPIN/test_problems/validation_damped_exchange/plot_precession.py b/examples/SPIN/test_problems/validation_damped_exchange/plot_precession.py
new file mode 100755
index 0000000000..bbc7c8f54e
--- /dev/null
+++ b/examples/SPIN/test_problems/validation_damped_exchange/plot_precession.py
@@ -0,0 +1,44 @@
+#!/usr/bin/env python3
+
+import numpy as np, pylab, tkinter
+import matplotlib.pyplot as plt
+from scipy.optimize import curve_fit
+from decimal import *
+import sys, string, os
+
+
+argv = sys.argv
+if len(argv) != 3:
+  print("Syntax: ./plot_precession.py res_lammps.dat res_llg.dat")
+  sys.exit()
+
+lammps_file = sys.argv[1]
+llg_file = sys.argv[2]
+
+t_lmp,Sx_lmp,Sy_lmp,Sz_lmp,e_lmp = np.loadtxt(lammps_file,skiprows=0, usecols=(1,2,3,4,7),unpack=True)
+t_llg,Sx_llg,Sy_llg,Sz_llg,e_llg = np.loadtxt(llg_file,skiprows=0, usecols=(0,1,2,3,4),unpack=True)
+
+plt.figure()
+plt.subplot(411)
+plt.ylabel('Sx')
+plt.plot(t_lmp, Sx_lmp, 'b-', label='LAMMPS')
+plt.plot(t_llg, Sx_llg, 'r--', label='LLG')
+
+plt.subplot(412)
+plt.ylabel('Sy')
+plt.plot(t_lmp, Sy_lmp, 'b-', label='LAMMPS')
+plt.plot(t_llg, Sy_llg, 'r--', label='LLG')
+
+plt.subplot(413)
+plt.ylabel('Sz')
+plt.plot(t_lmp, Sz_lmp, 'b-', label='LAMMPS')
+plt.plot(t_llg, Sz_llg, 'r--', label='LLG')
+
+plt.subplot(414)
+plt.ylabel('E (eV)')
+plt.plot(t_lmp, e_lmp, 'b-', label='LAMMPS')
+plt.plot(t_llg, e_llg, 'r--', label='LLG')
+
+plt.xlabel('time (in ps)')
+plt.legend()
+plt.show()
diff --git a/examples/SPIN/test_problems/validation_damped_exchange/run-test-exchange.sh b/examples/SPIN/test_problems/validation_damped_exchange/run-test-exchange.sh
new file mode 100755
index 0000000000..15de8d350e
--- /dev/null
+++ b/examples/SPIN/test_problems/validation_damped_exchange/run-test-exchange.sh
@@ -0,0 +1,19 @@
+#!/bin/bash
+
+# clean old res
+rm res_*.dat
+
+# compute Lammps 
+./../../../../src/lmp_serial \
+  -in bench-spin-precession.in 
+in="$(grep -n Step log.lammps | awk -F ':' '{print $1}')"
+en="$(grep -n Loop log.lammps | awk -F ':' '{print $1}')"
+in="$(echo "$in+1" | bc -l)"
+en="$(echo "$en-$in" | bc -l)"
+tail -n +$in log.lammps | head -n $en > res_lammps.dat
+
+# compute Langevin
+python3 -m llg_exchange.py > res_llg.dat
+
+# plot results
+python3 -m plot_precession.py res_lammps.dat res_llg.dat
diff --git a/examples/SPIN/test_problems/validation_damped_precession/bench-spin-precession.in b/examples/SPIN/test_problems/validation_damped_precession/bench-spin-precession.in
new file mode 100644
index 0000000000..ed8a5caeaf
--- /dev/null
+++ b/examples/SPIN/test_problems/validation_damped_precession/bench-spin-precession.in
@@ -0,0 +1,47 @@
+#LAMMPS in.run 
+ 
+units           metal
+atom_style      spin
+atom_modify     map array
+boundary        p p p
+
+# read_data     singlespin.data
+
+lattice         sc 3.0
+region          box block 0.0 1.0 0.0 1.0 0.0 1.0
+create_box      1 box
+create_atoms    1 box
+
+mass            1 1.0
+set             type 1 spin 2.0 1.0 0.0 0.0
+
+pair_style      spin/exchange 4.0
+pair_coeff      * * exchange 1.0 0.0 0.0 1.0
+
+group bead      type 1  
+ 
+variable        H equal 10.0
+variable        Kan equal 0.0
+variable        Temperature equal 0.0 
+variable        Nsteps equal 500000
+
+fix             1 all nve/spin lattice no
+fix             2 all precession/spin zeeman ${H} 0.0 0.0 1.0 anisotropy ${Kan} 0.0 0.0 1.0
+fix_modify      2 energy yes
+fix             3 all langevin/spin ${Temperature} 0.01 12345
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+
+variable 	magx      equal c_out_mag[1]
+variable 	magy      equal c_out_mag[2]
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+
+thermo_style    custom step time v_magx v_magy v_magz v_emag pe etotal
+thermo          100
+
+timestep	0.0001
+
+run             ${Nsteps}
diff --git a/examples/SPIN/test_problems/validation_damped_precession/llg_precession.py b/examples/SPIN/test_problems/validation_damped_precession/llg_precession.py
new file mode 100755
index 0000000000..e8a46f389a
--- /dev/null
+++ b/examples/SPIN/test_problems/validation_damped_precession/llg_precession.py
@@ -0,0 +1,52 @@
+#!/usr/bin/env python3
+
+import numpy as np , pylab, tkinter
+import math
+import matplotlib.pyplot as plt
+import mpmath as mp
+
+mub=5.78901e-5          # Bohr magneton (eV/T)
+hbar=0.658212           # Planck's constant (eV.fs/rad)
+g=2.0                   # Lande factor (adim)
+gyro=g*mub/hbar         # gyromag ratio (rad/fs/T)
+alpha=0.01              # damping coefficient
+pi=math.pi
+
+Bnrm=10.0               # mag. field (T)
+Bext = np.array([0.0, 0.0, 1.0])
+Sn = 2.0                # spin norm (in # of muB)
+S = np.array([1.0, 0.0, 0.0])
+
+N=500000                # number of timesteps
+dt=0.1                  # timestep (fs)
+
+# Rodrigues rotation formula
+def rotation_matrix(axis, theta):
+  """
+  Return the rotation matrix associated with counterclockwise
+  rotation about the given axis by theta radians
+  """
+  axis = np.asarray(axis)
+  a = math.cos(theta / 2.0)
+  b, c, d = -axis * math.sin(theta / 2.0)
+  aa, bb, cc, dd = a * a, b * b, c * c, d * d
+  bc, ad, ac, ab, bd, cd = b * c, a * d, a * c, a * b, b * d, c * d
+  return np.array([[aa + bb - cc - dd, 2 * (bc + ad), 2 * (bd - ac)],
+      [2 * (bc - ad), aa + cc - bb - dd, 2 * (cd + ab)],
+      [2 * (bd + ac), 2 * (cd - ab), aa + dd - bb - cc]])
+
+# calc. precession field
+def calc_rot_vector(Fi,Sp):
+  rot = gyro*Sn*Bnrm*(Fi-alpha*np.cross(Fi,Sp))
+  return rot
+  
+# np.set_printoptions(precision=4)
+for t in range (0,N):
+  wf = calc_rot_vector(Bext,S)
+  theta=dt*np.linalg.norm(wf)
+  axis=wf/np.linalg.norm(wf)
+  S = np.dot(rotation_matrix(axis, theta), S)
+  en = -hbar*gyro*Sn*Bnrm*np.dot(S,Bext)
+  # print res. in ps for comparison with LAMMPS
+  print(t*dt/1000.0,S[0],S[1],S[2],en)
+
diff --git a/examples/SPIN/test_problems/validation_damped_precession/plot_precession.py b/examples/SPIN/test_problems/validation_damped_precession/plot_precession.py
new file mode 100755
index 0000000000..9c07f1cefa
--- /dev/null
+++ b/examples/SPIN/test_problems/validation_damped_precession/plot_precession.py
@@ -0,0 +1,45 @@
+#!/usr/bin/env python3
+
+import numpy as np, pylab, tkinter
+import matplotlib.pyplot as plt
+from scipy.optimize import curve_fit
+from decimal import *
+import sys, string, os
+
+
+argv = sys.argv
+if len(argv) != 3:
+  print("Syntax: ./plot_precession.py res_lammps.dat res_llg.dat")
+  sys.exit()
+
+lammps_file = sys.argv[1]
+llg_file = sys.argv[2]
+
+t_lmp,Sx_lmp,Sy_lmp,Sz_lmp,en_lmp = np.loadtxt(lammps_file,
+        skiprows=0, usecols=(1,2,3,4,5),unpack=True)
+t_llg,Sx_llg,Sy_llg,Sz_llg,en_llg = np.loadtxt(llg_file, skiprows=0, usecols=(0,1,2,3,4),unpack=True)
+
+plt.figure()
+plt.subplot(411)
+plt.ylabel('Sx')
+plt.plot(t_lmp, Sx_lmp, 'b-', label='LAMMPS')
+plt.plot(t_llg, Sx_llg, 'r--', label='LLG')
+
+plt.subplot(412)
+plt.ylabel('Sy')
+plt.plot(t_lmp, Sy_lmp, 'b-', label='LAMMPS')
+plt.plot(t_llg, Sy_llg, 'r--', label='LLG')
+
+plt.subplot(413)
+plt.ylabel('Sz')
+plt.plot(t_lmp, Sz_lmp, 'b-', label='LAMMPS')
+plt.plot(t_llg, Sz_llg, 'r--', label='LLG')
+
+plt.subplot(414)
+plt.ylabel('En (eV)')
+plt.plot(t_lmp, en_lmp, 'b-', label='LAMMPS')
+plt.plot(t_llg, en_llg, 'r--', label='LLG')
+
+plt.xlabel('time (in ps)')
+plt.legend()
+plt.show()
diff --git a/examples/SPIN/test_problems/validation_damped_precession/run-test-prec.sh b/examples/SPIN/test_problems/validation_damped_precession/run-test-prec.sh
new file mode 100755
index 0000000000..49ebc2ac4e
--- /dev/null
+++ b/examples/SPIN/test_problems/validation_damped_precession/run-test-prec.sh
@@ -0,0 +1,19 @@
+#!/bin/bash
+
+# clean old res
+rm res_*.dat
+
+# compute Lammps 
+./../../../../src/lmp_serial \
+  -in bench-spin-precession.in 
+in="$(grep -n Step log.lammps | awk -F ':' '{print $1}')"
+en="$(grep -n Loop log.lammps | awk -F ':' '{print $1}')"
+in="$(echo "$in+1" | bc -l)"
+en="$(echo "$en-$in" | bc -l)"
+tail -n +$in log.lammps | head -n $en > res_lammps.dat
+
+# compute Langevin
+python3 -m llg_precession.py > res_llg.dat
+
+# plot results
+python3 -m plot_precession.py res_lammps.dat res_llg.dat
diff --git a/examples/SPIN/test_problems/validation_langevin_precession/bench-prec-spin.template b/examples/SPIN/test_problems/validation_langevin_precession/bench-prec-spin.template
new file mode 100644
index 0000000000..52f6a105ea
--- /dev/null
+++ b/examples/SPIN/test_problems/validation_langevin_precession/bench-prec-spin.template
@@ -0,0 +1,46 @@
+#LAMMPS in.run 
+ 
+units           metal
+atom_style      spin
+atom_modify     map array
+boundary        p p p
+
+# read_data     singlespin.data
+
+lattice         sc 3.0
+region          box block 0.0 1.0 0.0 1.0 0.0 1.0
+create_box      1 box
+create_atoms    1 box
+
+mass            1 1.0
+set             type 1 spin 1.0 0.0 0.0 1.0
+
+# defines a pair/style for neighbor list, but do not use it
+pair_style      spin/exchange 4.0
+pair_coeff      * * exchange 1.0 0.0 0.0 1.0
+
+group bead      type 1  
+ 
+variable        H equal 10.0
+variable        Kan equal 0.0
+variable        Temperature equal temperature
+variable        RUN equal 1000000
+
+fix             1 all nve/spin lattice no
+fix             2 all precession/spin zeeman ${H} 0.0 0.0 1.0 anisotropy ${Kan} 0.0 0.0 1.0
+fix_modify      2 energy yes
+fix             3 all langevin/spin ${Temperature} 0.01 12345
+
+compute         compute_spin all spin
+compute         outsp all property/atom spx spy spz sp
+compute         magsz all reduce ave c_outsp[3]
+
+thermo          50000
+thermo_style    custom step time temp vol pe c_compute_spin[5] etotal  
+
+variable        magnetic_energy equal c_compute_spin[5]
+
+fix             avespin all ave/time 1 ${RUN} ${RUN} v_Temperature v_H v_Kan c_magsz v_magnetic_energy file average_spin
+
+timestep        0.1
+run             ${RUN}
diff --git a/examples/SPIN/test_problems/validation_langevin_precession/langevin.py b/examples/SPIN/test_problems/validation_langevin_precession/langevin.py
new file mode 100755
index 0000000000..7acb780143
--- /dev/null
+++ b/examples/SPIN/test_problems/validation_langevin_precession/langevin.py
@@ -0,0 +1,27 @@
+#!/usr/bin/env python3
+
+#Program fitting the exchange interaction
+#Model curve: Bethe-Slater function
+import numpy as np, pylab, tkinter
+import matplotlib.pyplot as plt
+import mpmath as mp
+# from scipy.optimize import curve_fit
+# from decimal import *
+
+mub=5.78901e-5          # Bohr magneton (eV/T)
+kb=8.617333262145e-5    # Boltzman constant (eV/K)
+g=2.0                   # Lande factor (adim)
+
+Hz=10.0                # mag. field (T)
+
+#Definition of the Langevin function
+def func(t):
+    return mp.coth(g*mub*Hz/(kb*t))-1.0/(g*mub*Hz/(kb*t))
+
+npoints=200
+ti=0.01
+tf=20.0
+for i in range (0,npoints): 
+    temp=ti+i*(tf-ti)/npoints
+    print('%lf %lf %lf' % (temp,func(temp),-g*mub*Hz*func(temp)))
+
diff --git a/examples/SPIN/test_problems/validation_langevin_precession/plot_precession.py b/examples/SPIN/test_problems/validation_langevin_precession/plot_precession.py
new file mode 100755
index 0000000000..0141af56a0
--- /dev/null
+++ b/examples/SPIN/test_problems/validation_langevin_precession/plot_precession.py
@@ -0,0 +1,37 @@
+#!/usr/bin/env python3
+
+#Program fitting the exchange interaction
+#Model curve: Bethe-Slater function
+import numpy as np, pylab, tkinter
+import matplotlib.pyplot as plt
+from scipy.optimize import curve_fit
+from decimal import *
+import sys, string, os
+
+
+argv = sys.argv
+if len(argv) != 3:
+  print("Syntax: ./plot_precession.py res_lammps.dat res_langevin.dat")
+  sys.exit()
+
+lammps_file = sys.argv[1]
+langevin_file = sys.argv[2]
+
+T_lmp,S_lmp,E_lmp = np.loadtxt(lammps_file, skiprows=0, usecols=(0,2,3),unpack=True)
+T_lan,S_lan,E_lan = np.loadtxt(langevin_file, skiprows=0, usecols=(0,1,2),unpack=True)
+
+plt.figure()
+plt.subplot(211)
+plt.ylabel('<Sz>')
+plt.plot(T_lmp, S_lmp, 'b-', label='LAMMPS')
+plt.plot(T_lan, S_lan, 'r--', label='Langevin')
+
+plt.subplot(212)
+plt.ylabel('E (in eV)')
+plt.plot(T_lmp, E_lmp, 'b-', label='LAMMPS')
+plt.plot(T_lan, E_lan, 'r--', label='Langevin')
+
+plt.xlabel('T (in K)')
+pylab.xlim([0,20.0])
+plt.legend()
+plt.show()
diff --git a/examples/SPIN/test_problems/validation_langevin_precession/run-test-prec.sh b/examples/SPIN/test_problems/validation_langevin_precession/run-test-prec.sh
new file mode 100755
index 0000000000..98fceeca95
--- /dev/null
+++ b/examples/SPIN/test_problems/validation_langevin_precession/run-test-prec.sh
@@ -0,0 +1,27 @@
+#!/bin/bash
+
+tempi=0.0
+tempf=20.0
+
+rm res_*.dat
+
+# compute Lammps 
+N=20
+for (( i=0; i<$N; i++ ))
+do
+  temp="$(echo "$tempi+$i*($tempf-$tempi)/$N" | bc -l)"
+  sed s/temperature/${temp}/g bench-prec-spin.template > \
+    bench-prec-spin.in
+  ./../../../../src/lmp_serial \
+    -in bench-prec-spin.in 
+  Hz="$(tail -n 1 average_spin | awk -F " " '{print $3}')"
+  sz="$(tail -n 1 average_spin | awk -F " " '{print $5}')"
+  en="$(tail -n 1 average_spin | awk -F " " '{print $6}')"
+  echo $temp $Hz $sz $en >> res_lammps.dat
+done
+
+# compute Langevin
+python3 -m langevin.py > res_langevin.dat
+
+# plot results
+python3 -m plot_precession.py res_lammps.dat res_langevin.dat
diff --git a/examples/snap/in.snap.compute b/examples/snap/in.snap.compute
new file mode 100644
index 0000000000..8955500e0e
--- /dev/null
+++ b/examples/snap/in.snap.compute
@@ -0,0 +1,94 @@
+# Demonstrate bispectrum computes
+
+# initialize simulation
+
+variable 	nsteps index 0
+variable 	nrep equal 1
+#variable 	a equal 3.316
+variable 	a equal 2.0
+units		metal
+
+# generate the box and atom positions using a BCC lattice
+
+variable 	nx equal ${nrep}
+variable 	ny equal ${nrep}
+variable 	nz equal ${nrep}
+
+boundary	p p p
+
+lattice         bcc $a
+region		box block 0 ${nx} 0 ${ny} 0 ${nz}
+create_box	2 box
+create_atoms	2 box
+
+mass 		* 180.88
+
+displace_atoms 	all random 0.1 0.1 0.1 123456
+
+# choose SNA parameters
+
+variable 	twojmax equal 2
+variable 	rcutfac equal 1.0
+variable 	rfac0 equal 0.99363
+variable 	rmin0 equal 0
+variable 	radelem1 equal 2.3
+variable 	radelem2 equal 2.0
+variable	wj1 equal 1.0
+variable	wj2 equal 0.96
+variable 	snap_options string &
+"${rcutfac} ${rfac0} ${twojmax} ${radelem1} ${radelem2} ${wj1} ${wj2} rmin0 ${rmin0} quadraticflag 0 bzeroflag 0 switchflag 0"
+
+# set up dummy potential to satisfy cutoff
+
+pair_style 	zero ${rcutfac}
+pair_coeff 	* *
+
+# set up reference potential
+
+variable 	zblcutinner equal 4
+variable 	zblcutouter equal 4.8
+variable 	zblz equal 73
+pair_style 	zbl ${zblcutinner} ${zblcutouter}
+pair_coeff 	* * ${zblz} ${zblz}
+
+# set up per-atom computes
+
+compute 	b all sna/atom ${snap_options}
+compute 	vb all snav/atom ${snap_options}
+compute 	db all snad/atom ${snap_options}
+
+# perform sums over atoms
+
+group 		snapgroup1 type 1
+group 		snapgroup2 type 2
+compute         bsum1 snapgroup1 reduce sum c_b[*]
+compute         bsum2 snapgroup2 reduce sum c_b[*]
+# fix 		bsum1 all ave/time 1 1 1 c_bsum1 file bsum1.dat mode vector
+# fix 		bsum2 all ave/time 1 1 1 c_bsum2 file bsum2.dat mode vector
+compute		vbsum all reduce sum c_vb[*]
+# fix 		vbsum all ave/time 1 1 1 c_vbsum file vbsum.dat mode vector
+
+# set up compute snap generating global array
+
+compute 	snap all snap ${snap_options}
+fix 		snap all ave/time 1 1 1 c_snap[*] file compute.snap.dat mode vector
+
+thermo 		100
+
+# test output:   1: total potential energy
+#                2: xy component of stress tensor
+#                3: Sum(B_{000}^i, all i of type 2) 
+#                4: xy component of Sum(Sum(r_j*dB_{222}^i/dr_j), all i of type 2), all j) 
+#                followed by counterparts from compute snap
+
+thermo_style	custom &
+		pe            pxy            c_bsum2[1]   c_vbsum[60] &
+       		c_snap[1][11] c_snap[13][11] c_snap[1][6] c_snap[13][10] 
+thermo_modify 	norm no
+
+# dump 		mydump_db all custom 1000 dump_db id c_db[*]
+# dump_modify 	mydump_db sort id
+
+# Run MD
+
+run             ${nsteps}
diff --git a/src/CLASS2/pair_lj_class2.cpp b/src/CLASS2/pair_lj_class2.cpp
index c930173864..47b3185bbf 100644
--- a/src/CLASS2/pair_lj_class2.cpp
+++ b/src/CLASS2/pair_lj_class2.cpp
@@ -35,6 +35,7 @@ PairLJClass2::PairLJClass2(LAMMPS *lmp) : Pair(lmp)
 {
   respa_enable = 1;
   writedata = 1;
+  centroidstressflag = 1;
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/CLASS2/pair_lj_class2_coul_cut.cpp b/src/CLASS2/pair_lj_class2_coul_cut.cpp
index 89a0d74b5a..3635c21c8c 100644
--- a/src/CLASS2/pair_lj_class2_coul_cut.cpp
+++ b/src/CLASS2/pair_lj_class2_coul_cut.cpp
@@ -33,6 +33,7 @@ using namespace MathConst;
 PairLJClass2CoulCut::PairLJClass2CoulCut(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
+  centroidstressflag = 1;
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/GRANULAR/fix_pour.cpp b/src/GRANULAR/fix_pour.cpp
index 2b33b988b8..2255f64eb2 100644
--- a/src/GRANULAR/fix_pour.cpp
+++ b/src/GRANULAR/fix_pour.cpp
@@ -54,7 +54,7 @@ FixPour::FixPour(LAMMPS *lmp, int narg, char **arg) :
 {
   if (narg < 6) error->all(FLERR,"Illegal fix pour command");
 
-  if (lmp->kokkos) 
+  if (lmp->kokkos)
     error->all(FLERR,"Cannot yet use fix pour with the KOKKOS package");
 
   time_depend = 1;
@@ -797,7 +797,7 @@ bool FixPour::outside(int dim, double value, double lo, double hi)
   bool outside_range = (value < lo || value > hi);
   if (!outside_range || !domain->periodicity[dim]) return outside_range;
 
-  // for periodic dimension: 
+  // for periodic dimension:
   // must perform additional tests if range wraps around the periodic box
 
   bool outside_pbc_range = true;
diff --git a/src/KOKKOS/dihedral_class2_kokkos.cpp b/src/KOKKOS/dihedral_class2_kokkos.cpp
index 4b8d171f61..0310053b5e 100644
--- a/src/KOKKOS/dihedral_class2_kokkos.cpp
+++ b/src/KOKKOS/dihedral_class2_kokkos.cpp
@@ -243,15 +243,20 @@ void DihedralClass2Kokkos<DeviceType>::operator()(TagDihedralClass2Compute<NEWTO
   const F_FLOAT sb3 = 1.0/r3mag2;
   const F_FLOAT rb3 = 1.0/r3;
 
-  const F_FLOAT c0 = (vb1x*vb3x + vb1y*vb3y + vb1z*vb3z) * rb1*rb3;
+  F_FLOAT c0 = (vb1x*vb3x + vb1y*vb3y + vb1z*vb3z) * rb1*rb3;
 
   // 1st and 2nd angle
 
   const F_FLOAT r12c1 = rb1*rb2;
   const F_FLOAT r12c2 = rb2*rb3;
-  const F_FLOAT costh12 = (vb1x*vb2x + vb1y*vb2y + vb1z*vb2z) * r12c1;
-  const F_FLOAT costh13 = c0;
-  const F_FLOAT costh23 = (vb2xm*vb3x + vb2ym*vb3y + vb2zm*vb3z) * r12c2;
+  F_FLOAT costh12 = (vb1x*vb2x + vb1y*vb2y + vb1z*vb2z) * r12c1;
+  F_FLOAT costh13 = c0;
+  F_FLOAT costh23 = (vb2xm*vb3x + vb2ym*vb3y + vb2zm*vb3z) * r12c2;
+
+  costh12 = MAX(MIN(costh12, 1.0), -1.0);
+  costh13 = MAX(MIN(costh13, 1.0), -1.0);
+  costh23 = MAX(MIN(costh23, 1.0), -1.0);
+  c0 = costh13;
 
   // cos and sin of 2 angles and final c
 
diff --git a/src/KOKKOS/pair_eam_kokkos.cpp b/src/KOKKOS/pair_eam_kokkos.cpp
index f6eef5b53c..3358fe709c 100644
--- a/src/KOKKOS/pair_eam_kokkos.cpp
+++ b/src/KOKKOS/pair_eam_kokkos.cpp
@@ -37,6 +37,7 @@ template<class DeviceType>
 PairEAMKokkos<DeviceType>::PairEAMKokkos(LAMMPS *lmp) : PairEAM(lmp)
 {
   respa_enable = 0;
+  single_enable = 0;
 
   atomKK = (AtomKokkos *) atom;
   execution_space = ExecutionSpaceFromDevice<DeviceType>::space;
diff --git a/src/MANYBODY/pair_eam.cpp b/src/MANYBODY/pair_eam.cpp
index 2e118088eb..5459a92b69 100644
--- a/src/MANYBODY/pair_eam.cpp
+++ b/src/MANYBODY/pair_eam.cpp
@@ -43,6 +43,7 @@ PairEAM::PairEAM(LAMMPS *lmp) : Pair(lmp)
   nmax = 0;
   rho = NULL;
   fp = NULL;
+  numforce = NULL;
   map = NULL;
   type2frho = NULL;
 
@@ -77,6 +78,7 @@ PairEAM::~PairEAM()
 
   memory->destroy(rho);
   memory->destroy(fp);
+  memory->destroy(numforce);
 
   if (allocated) {
     memory->destroy(setflag);
@@ -151,9 +153,11 @@ void PairEAM::compute(int eflag, int vflag)
   if (atom->nmax > nmax) {
     memory->destroy(rho);
     memory->destroy(fp);
+    memory->destroy(numforce);
     nmax = atom->nmax;
     memory->create(rho,nmax,"pair:rho");
     memory->create(fp,nmax,"pair:fp");
+    memory->create(numforce,nmax,"pair:numforce");
   }
 
   double **x = atom->x;
@@ -255,6 +259,7 @@ void PairEAM::compute(int eflag, int vflag)
 
     jlist = firstneigh[i];
     jnum = numneigh[i];
+    numforce[i] = 0;
 
     for (jj = 0; jj < jnum; jj++) {
       j = jlist[jj];
@@ -266,6 +271,7 @@ void PairEAM::compute(int eflag, int vflag)
       rsq = delx*delx + dely*dely + delz*delz;
 
       if (rsq < cutforcesq) {
+        ++numforce[i];
         jtype = type[j];
         r = sqrt(rsq);
         p = r*rdr + 1.0;
@@ -802,6 +808,18 @@ double PairEAM::single(int i, int j, int itype, int jtype,
   double r,p,rhoip,rhojp,z2,z2p,recip,phi,phip,psip;
   double *coeff;
 
+  if (numforce[i] > 0) {
+    p = rho[i]*rdrho + 1.0;
+    m = static_cast<int> (p);
+    m = MAX(1,MIN(m,nrho-1));
+    p -= m;
+    p = MIN(p,1.0);
+    coeff = frho_spline[type2frho[itype]][m];
+    phi = ((coeff[3]*p + coeff[4])*p + coeff[5])*p + coeff[6];
+    if (rho[i] > rhomax) phi += fp[i] * (rho[i]-rhomax);
+    phi *= 1.0/static_cast<double>(numforce[i]);
+  } else phi = 0.0;
+
   r = sqrt(rsq);
   p = r*rdr + 1.0;
   m = static_cast<int> (p);
@@ -818,7 +836,7 @@ double PairEAM::single(int i, int j, int itype, int jtype,
   z2 = ((coeff[3]*p + coeff[4])*p + coeff[5])*p + coeff[6];
 
   recip = 1.0/r;
-  phi = z2*recip;
+  phi += z2*recip;
   phip = z2p*recip - phi*recip;
   psip = fp[i]*rhojp + fp[j]*rhoip + phip;
   fforce = -psip*recip;
diff --git a/src/MANYBODY/pair_eam.h b/src/MANYBODY/pair_eam.h
index 8bcb44c347..add33ab3f0 100644
--- a/src/MANYBODY/pair_eam.h
+++ b/src/MANYBODY/pair_eam.h
@@ -70,6 +70,7 @@ class PairEAM : public Pair {
   // per-atom arrays
 
   double *rho,*fp;
+  int *numforce;
 
   // potentials as file data
 
diff --git a/src/MC/fix_gcmc.cpp b/src/MC/fix_gcmc.cpp
index 516fe2521d..732e76b77e 100644
--- a/src/MC/fix_gcmc.cpp
+++ b/src/MC/fix_gcmc.cpp
@@ -945,7 +945,7 @@ void FixGCMC::attempt_atomic_insertion()
   ninsertion_attempts += 1.0;
 
   if (ngas >= max_ngas) return;
-  
+
   // pick coordinates for insertion point
 
   double coord[3];
@@ -1300,7 +1300,7 @@ void FixGCMC::attempt_molecule_insertion()
   ninsertion_attempts += 1.0;
 
   if (ngas >= max_ngas) return;
-  
+
   double com_coord[3];
   if (regionflag) {
     int region_attempt = 0;
@@ -1634,7 +1634,7 @@ void FixGCMC::attempt_atomic_insertion_full()
   ninsertion_attempts += 1.0;
 
   if (ngas >= max_ngas) return;
-  
+
   double energy_before = energy_stored;
 
   double coord[3];
diff --git a/src/OPT/pair_eam_opt.cpp b/src/OPT/pair_eam_opt.cpp
index ad24aaee63..7dff5cff4b 100644
--- a/src/OPT/pair_eam_opt.cpp
+++ b/src/OPT/pair_eam_opt.cpp
@@ -80,11 +80,13 @@ void PairEAMOpt::eval()
   // grow energy array if necessary
 
   if (atom->nmax > nmax) {
-    memory->sfree(rho);
-    memory->sfree(fp);
+    memory->destroy(rho);
+    memory->destroy(fp);
+    memory->destroy(numforce);
     nmax = atom->nmax;
-    rho = (double *) memory->smalloc(nmax*sizeof(double),"pair:rho");
-    fp = (double *) memory->smalloc(nmax*sizeof(double),"pair:fp");
+    memory->create(rho,nmax,"pair:rho");
+    memory->create(fp,nmax,"pair:fp");
+    memory->create(numforce,nmax,"pair:numforce");
   }
 
   double** _noalias x = atom->x;
@@ -269,6 +271,7 @@ void PairEAMOpt::eval()
 
     fast_gamma_t* _noalias tabssi = &tabss[itype1*ntypes*nr];
     double* _noalias scale_i = scale[itype1+1]+1;
+    numforce[i] = 0;
 
     for (jj = 0; jj < jnum; jj++) {
       j = jlist[jj];
@@ -280,6 +283,7 @@ void PairEAMOpt::eval()
       double rsq = delx*delx + dely*dely + delz*delz;
 
       if (rsq < tmp_cutforcesq) {
+        ++numforce[i];
         jtype = type[j] - 1;
         double r = sqrt(rsq);
         double rhoip,rhojp,z2,z2p;
diff --git a/src/PYTHON/pair_python.cpp b/src/PYTHON/pair_python.cpp
index 0d79a31946..8fbb3e6f8b 100644
--- a/src/PYTHON/pair_python.cpp
+++ b/src/PYTHON/pair_python.cpp
@@ -40,6 +40,7 @@ PairPython::PairPython(LAMMPS *lmp) : Pair(lmp) {
   one_coeff = 1;
   reinitflag = 0;
   cut_global = 0.0;
+  centroidstressflag = 1;
 
   py_potential = NULL;
   skip_types = NULL;
diff --git a/src/SNAP/compute_snap.cpp b/src/SNAP/compute_snap.cpp
new file mode 100644
index 0000000000..11e8bd0d12
--- /dev/null
+++ b/src/SNAP/compute_snap.cpp
@@ -0,0 +1,526 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+/* IDEAS
+
+-DONE: Need to define a local peratom array for snad and snad on local and ghost atoms
+-DONE: Reverse communicate local peratom array
+-DONE: Copy peratom array into output array
+-DONE: size_array_cols = nperdim (ncoeff [+quadratic])
+-DONE: size_array_rows = 1 + total number of atoms + 6
+-DONE: size_peratom = (3+6)*nperdim*ntypes
+INCOMPLETE: Mappy from local to global
+INCOMPLETE: modify->find_compute()
+DONE: eliminate local peratom array for viral, replace with fdotr
+
+ */
+#include "compute_snap.h"
+#include <cstring>
+#include <cstdlib>
+#include "sna.h"
+#include "atom.h"
+#include "update.h"
+#include "modify.h"
+#include "neighbor.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "force.h"
+#include "pair.h"
+#include "comm.h"
+#include "memory.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+
+enum{SCALAR,VECTOR,ARRAY};
+
+ComputeSnap::ComputeSnap(LAMMPS *lmp, int narg, char **arg) :
+  Compute(lmp, narg, arg), cutsq(NULL), list(NULL), snap(NULL),
+  radelem(NULL), wjelem(NULL), snap_peratom(NULL), snapall(NULL)
+{
+
+  array_flag = 1;
+  extarray = 0;
+
+  double rfac0, rmin0;
+  int twojmax, switchflag, bzeroflag;
+  radelem = NULL;
+  wjelem = NULL;
+
+  int ntypes = atom->ntypes;
+  int nargmin = 6+2*ntypes;
+
+  if (narg < nargmin) error->all(FLERR,"Illegal compute snap command");
+
+  // default values
+
+  rmin0 = 0.0;
+  switchflag = 1;
+  bzeroflag = 1;
+  quadraticflag = 0;
+
+  // process required arguments
+
+  memory->create(radelem,ntypes+1,"snap:radelem"); // offset by 1 to match up with types
+  memory->create(wjelem,ntypes+1,"snap:wjelem");
+  rcutfac = atof(arg[3]);
+  rfac0 = atof(arg[4]);
+  twojmax = atoi(arg[5]);
+  for(int i = 0; i < ntypes; i++)
+    radelem[i+1] = atof(arg[6+i]);
+  for(int i = 0; i < ntypes; i++)
+    wjelem[i+1] = atof(arg[6+ntypes+i]);
+
+  // construct cutsq
+
+  double cut;
+  cutmax = 0.0;
+  memory->create(cutsq,ntypes+1,ntypes+1,"snap:cutsq");
+  for(int i = 1; i <= ntypes; i++) {
+    cut = 2.0*radelem[i]*rcutfac;
+    if (cut > cutmax) cutmax = cut;
+    cutsq[i][i] = cut*cut;
+    for(int j = i+1; j <= ntypes; j++) {
+      cut = (radelem[i]+radelem[j])*rcutfac;
+      cutsq[i][j] = cutsq[j][i] = cut*cut;
+    }
+  }
+
+  // process optional args
+
+  int iarg = nargmin;
+
+  while (iarg < narg) {
+    if (strcmp(arg[iarg],"rmin0") == 0) {
+      if (iarg+2 > narg)
+        error->all(FLERR,"Illegal compute snap command");
+      rmin0 = atof(arg[iarg+1]);
+      iarg += 2;
+    } else if (strcmp(arg[iarg],"bzeroflag") == 0) {
+      if (iarg+2 > narg)
+        error->all(FLERR,"Illegal compute snap command");
+      bzeroflag = atoi(arg[iarg+1]);
+      iarg += 2;
+    } else if (strcmp(arg[iarg],"switchflag") == 0) {
+      if (iarg+2 > narg)
+        error->all(FLERR,"Illegal compute snap command");
+      switchflag = atoi(arg[iarg+1]);
+      iarg += 2;
+    } else if (strcmp(arg[iarg],"quadraticflag") == 0) {
+      if (iarg+2 > narg)
+        error->all(FLERR,"Illegal compute snap command");
+      quadraticflag = atoi(arg[iarg+1]);
+      iarg += 2;
+    } else error->all(FLERR,"Illegal compute snap command");
+  }
+
+  snaptr = new SNA(lmp,rfac0,twojmax,
+                   rmin0,switchflag,bzeroflag);
+
+  ncoeff = snaptr->ncoeff;
+  nperdim = ncoeff;
+  if (quadraticflag) nperdim += (ncoeff*(ncoeff+1))/2;
+  ndims_force = 3;
+  ndims_virial = 6;
+  yoffset = nperdim;
+  zoffset = 2*nperdim;
+  natoms = atom->natoms;
+  size_array_rows = 1+ndims_force*natoms+ndims_virial;
+  size_array_cols = nperdim*atom->ntypes+1;
+  lastcol = size_array_cols-1;
+
+  ndims_peratom = ndims_force;
+  size_peratom = ndims_peratom*nperdim*atom->ntypes;
+
+  nmax = 0;
+}
+
+/* ---------------------------------------------------------------------- */
+
+ComputeSnap::~ComputeSnap()
+{
+  memory->destroy(snap);
+  memory->destroy(snapall);
+  memory->destroy(snap_peratom);
+  memory->destroy(radelem);
+  memory->destroy(wjelem);
+  memory->destroy(cutsq);
+  delete snaptr;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void ComputeSnap::init()
+{
+  if (force->pair == NULL)
+    error->all(FLERR,"Compute snap requires a pair style be defined");
+
+  if (cutmax > force->pair->cutforce)
+    error->all(FLERR,"Compute snap cutoff is longer than pairwise cutoff");
+
+  // need an occasional full neighbor list
+
+  int irequest = neighbor->request(this,instance_me);
+  neighbor->requests[irequest]->pair = 0;
+  neighbor->requests[irequest]->compute = 1;
+  neighbor->requests[irequest]->half = 0;
+  neighbor->requests[irequest]->full = 1;
+  neighbor->requests[irequest]->occasional = 1;
+
+  int count = 0;
+  for (int i = 0; i < modify->ncompute; i++)
+    if (strcmp(modify->compute[i]->style,"snap") == 0) count++;
+  if (count > 1 && comm->me == 0)
+    error->warning(FLERR,"More than one compute snap");
+  snaptr->init();
+
+  // allocate memory for global array
+
+  memory->create(snap,size_array_rows,size_array_cols,
+                 "snap:snap");
+  memory->create(snapall,size_array_rows,size_array_cols,
+                 "snap:snapall");
+  array = snapall;
+
+  // INCOMPLETE: modify->find_compute()
+  // was called 223960 times by snappy Ta example
+  // that is over 600 times per config?
+  // how is this possible???
+
+  // find compute for reference energy
+
+  char *id_pe = (char *) "thermo_pe";
+  int ipe = modify->find_compute(id_pe);
+  if (ipe == -1)
+    error->all(FLERR,"compute thermo_pe does not exist.");
+  c_pe = modify->compute[ipe];
+
+  // add compute for reference virial tensor
+
+  char *id_virial = (char *) "snap_press";
+  char **newarg = new char*[5];
+  newarg[0] = id_virial;
+  newarg[1] = (char *) "all";
+  newarg[2] = (char *) "pressure";
+  newarg[3] = (char *) "NULL";
+  newarg[4] = (char *) "virial";
+  modify->add_compute(5,newarg);
+  delete [] newarg;
+
+  int ivirial = modify->find_compute(id_virial);
+  if (ivirial == -1)
+    error->all(FLERR,"compute snap_press does not exist.");
+  c_virial = modify->compute[ivirial];
+
+}
+
+
+/* ---------------------------------------------------------------------- */
+
+void ComputeSnap::init_list(int /*id*/, NeighList *ptr)
+{
+  list = ptr;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void ComputeSnap::compute_array()
+{
+  int ntotal = atom->nlocal + atom->nghost;
+
+  invoked_array = update->ntimestep;
+
+  // grow snap_peratom array if necessary
+
+  if (atom->nmax > nmax) {
+    memory->destroy(snap_peratom);
+    nmax = atom->nmax;
+    memory->create(snap_peratom,nmax,size_peratom,
+                   "snap:snap_peratom");
+  }
+
+  // clear global array
+
+  for (int irow = 0; irow < size_array_rows; irow++)
+    for (int icoeff = 0; icoeff < size_array_cols; icoeff++)
+      snap[irow][icoeff] = 0.0;
+
+  // clear local peratom array
+
+  for (int i = 0; i < ntotal; i++)
+    for (int icoeff = 0; icoeff < size_peratom; icoeff++) {
+      snap_peratom[i][icoeff] = 0.0;
+    }
+
+  // invoke full neighbor list (will copy or build if necessary)
+
+  neighbor->build_one(list);
+
+  const int inum = list->inum;
+  const int* const ilist = list->ilist;
+  const int* const numneigh = list->numneigh;
+  int** const firstneigh = list->firstneigh;
+  int * const type = atom->type;
+
+  // compute sna derivatives for each atom in group
+  // use full neighbor list to count atoms less than cutoff
+
+  double** const x = atom->x;
+  const int* const mask = atom->mask;
+
+  for (int ii = 0; ii < inum; ii++) {
+    const int i = ilist[ii];
+    if (mask[i] & groupbit) {
+
+      const double xtmp = x[i][0];
+      const double ytmp = x[i][1];
+      const double ztmp = x[i][2];
+      const int itype = type[i];
+      const double radi = radelem[itype];
+      const int* const jlist = firstneigh[i];
+      const int jnum = numneigh[i];
+      const int typeoffset_local = ndims_peratom*nperdim*(itype-1);
+      const int typeoffset_global = nperdim*(itype-1);
+
+      // insure rij, inside, and typej  are of size jnum
+
+      snaptr->grow_rij(jnum);
+
+      // rij[][3] = displacements between atom I and those neighbors
+      // inside = indices of neighbors of I within cutoff
+      // typej = types of neighbors of I within cutoff
+      // note Rij sign convention => dU/dRij = dU/dRj = -dU/dRi
+
+      int ninside = 0;
+      for (int jj = 0; jj < jnum; jj++) {
+        int j = jlist[jj];
+        j &= NEIGHMASK;
+
+        const double delx = x[j][0] - xtmp;
+        const double dely = x[j][1] - ytmp;
+        const double delz = x[j][2] - ztmp;
+        const double rsq = delx*delx + dely*dely + delz*delz;
+        int jtype = type[j];
+        if (rsq < cutsq[itype][jtype]&&rsq>1e-20) {
+          snaptr->rij[ninside][0] = delx;
+          snaptr->rij[ninside][1] = dely;
+          snaptr->rij[ninside][2] = delz;
+          snaptr->inside[ninside] = j;
+          snaptr->wj[ninside] = wjelem[jtype];
+          snaptr->rcutij[ninside] = (radi+radelem[jtype])*rcutfac;
+          ninside++;
+        }
+      }
+
+      snaptr->compute_ui(ninside);
+      snaptr->compute_zi();
+      snaptr->compute_bi();
+
+      for (int jj = 0; jj < ninside; jj++) {
+        const int j = snaptr->inside[jj];
+        snaptr->compute_duidrj(snaptr->rij[jj],
+                                    snaptr->wj[jj],
+                                    snaptr->rcutij[jj],jj);
+        snaptr->compute_dbidrj();
+
+        // Accumulate dBi/dRi, -dBi/dRj
+
+        double *snadi = snap_peratom[i]+typeoffset_local;
+        double *snadj = snap_peratom[j]+typeoffset_local;
+
+        for (int icoeff = 0; icoeff < ncoeff; icoeff++) {
+          snadi[icoeff] += snaptr->dblist[icoeff][0];
+          snadi[icoeff+yoffset] += snaptr->dblist[icoeff][1];
+          snadi[icoeff+zoffset] += snaptr->dblist[icoeff][2];
+          snadj[icoeff] -= snaptr->dblist[icoeff][0];
+          snadj[icoeff+yoffset] -= snaptr->dblist[icoeff][1];
+          snadj[icoeff+zoffset] -= snaptr->dblist[icoeff][2];
+        }
+
+        if (quadraticflag) {
+          const int quadraticoffset = ncoeff;
+          snadi += quadraticoffset;
+          snadj += quadraticoffset;
+          int ncount = 0;
+          for (int icoeff = 0; icoeff < ncoeff; icoeff++) {
+            double bi = snaptr->blist[icoeff];
+            double bix = snaptr->dblist[icoeff][0];
+            double biy = snaptr->dblist[icoeff][1];
+            double biz = snaptr->dblist[icoeff][2];
+
+            // diagonal elements of quadratic matrix
+
+            double dbxtmp = bi*bix;
+            double dbytmp = bi*biy;
+            double dbztmp = bi*biz;
+
+            snadi[ncount] +=         dbxtmp;
+            snadi[ncount+yoffset] += dbytmp;
+            snadi[ncount+zoffset] += dbztmp;
+            snadj[ncount] -=         dbxtmp;
+            snadj[ncount+yoffset] -= dbytmp;
+            snadj[ncount+zoffset] -= dbztmp;
+
+            ncount++;
+
+            // upper-triangular elements of quadratic matrix
+
+            for (int jcoeff = icoeff+1; jcoeff < ncoeff; jcoeff++) {
+              double dbxtmp = bi*snaptr->dblist[jcoeff][0]
+                + bix*snaptr->blist[jcoeff];
+              double dbytmp = bi*snaptr->dblist[jcoeff][1]
+                + biy*snaptr->blist[jcoeff];
+              double dbztmp = bi*snaptr->dblist[jcoeff][2]
+                + biz*snaptr->blist[jcoeff];
+
+              snadi[ncount] +=         dbxtmp;
+              snadi[ncount+yoffset] += dbytmp;
+              snadi[ncount+zoffset] += dbztmp;
+              snadj[ncount] -=         dbxtmp;
+              snadj[ncount+yoffset] -= dbytmp;
+              snadj[ncount+zoffset] -= dbztmp;
+
+              ncount++;
+            }
+          }
+
+        }
+      }
+
+      // Accumulate Bi
+
+      // linear contributions
+
+      for (int icoeff = 0; icoeff < ncoeff; icoeff++)
+        snap[0][icoeff+typeoffset_global] += snaptr->blist[icoeff];
+
+      // quadratic contributions
+
+      if (quadraticflag) {
+        for (int icoeff = 0; icoeff < ncoeff; icoeff++) {
+          double bveci = snaptr->blist[icoeff];
+          snap[0][icoeff+typeoffset_global] += 0.5*bveci*bveci;
+          for (int jcoeff = icoeff+1; jcoeff < ncoeff; jcoeff++) {
+            double bvecj = snaptr->blist[jcoeff];
+            snap[0][icoeff+typeoffset_global] += bveci*bvecj;
+          }
+        }
+      }
+    }
+  }
+
+  // accumulate bispectrum force contributions to global array
+
+  for (int itype = 0; itype < atom->ntypes; itype++) {
+    const int typeoffset_local = ndims_peratom*nperdim*itype;
+    const int typeoffset_global = nperdim*itype;
+    for (int icoeff = 0; icoeff < nperdim; icoeff++) {
+      int irow = 1;
+      for (int i = 0; i < ntotal; i++) {
+        double *snadi = snap_peratom[i]+typeoffset_local;
+        int iglobal = atom->tag[i];
+        int irow = 3*(iglobal-1)+1;
+        snap[irow][icoeff+typeoffset_global] += snadi[icoeff];
+        snap[irow+1][icoeff+typeoffset_global] += snadi[icoeff+yoffset];
+        snap[irow+2][icoeff+typeoffset_global] += snadi[icoeff+zoffset];
+      }
+    }
+  }
+
+ // accumulate forces to global array
+
+  for (int i = 0; i < atom->nlocal; i++) {
+    int iglobal = atom->tag[i];
+    int irow = 3*(iglobal-1)+1;
+    snap[irow][lastcol] = atom->f[i][0];
+    snap[irow+1][lastcol] = atom->f[i][1];
+    snap[irow+2][lastcol] = atom->f[i][2];
+  }
+
+  // accumulate bispectrum virial contributions to global array
+
+  dbdotr_compute();
+
+  // sum up over all processes
+
+  MPI_Allreduce(&snap[0][0],&snapall[0][0],size_array_rows*size_array_cols,MPI_DOUBLE,MPI_SUM,world);
+
+  // assign energy to last column
+
+  int irow = 0;
+  double reference_energy = c_pe->compute_scalar();
+  snapall[irow++][lastcol] = reference_energy;
+
+  // assign virial stress to last column
+  // switch to Voigt notation
+
+  c_virial->compute_vector();
+  irow += 3*natoms;
+  snapall[irow++][lastcol] = c_virial->vector[0];
+  snapall[irow++][lastcol] = c_virial->vector[1];
+  snapall[irow++][lastcol] = c_virial->vector[2];
+  snapall[irow++][lastcol] = c_virial->vector[5];
+  snapall[irow++][lastcol] = c_virial->vector[4];
+  snapall[irow++][lastcol] = c_virial->vector[3];
+
+}
+
+/* ----------------------------------------------------------------------
+   compute global virial contributions via summing r_i.dB^j/dr_i over
+   own & ghost atoms
+------------------------------------------------------------------------- */
+
+void ComputeSnap::dbdotr_compute()
+{
+  double **x = atom->x;
+  int irow0 = 1+ndims_force*natoms;
+
+  // sum over bispectrum contributions to forces
+  // on all particles including ghosts
+
+  int nall = atom->nlocal + atom->nghost;
+  for (int i = 0; i < nall; i++)
+    for (int itype = 0; itype < atom->ntypes; itype++) {
+      const int typeoffset_local = ndims_peratom*nperdim*itype;
+      const int typeoffset_global = nperdim*itype;
+      double *snadi = snap_peratom[i]+typeoffset_local;
+      for (int icoeff = 0; icoeff < nperdim; icoeff++) {
+        double dbdx = snadi[icoeff];
+        double dbdy = snadi[icoeff+yoffset];
+        double dbdz = snadi[icoeff+zoffset];
+        int irow = irow0;
+        snap[irow++][icoeff+typeoffset_global] += dbdx*x[i][0];
+        snap[irow++][icoeff+typeoffset_global] += dbdy*x[i][1];
+        snap[irow++][icoeff+typeoffset_global] += dbdz*x[i][2];
+        snap[irow++][icoeff+typeoffset_global] += dbdz*x[i][1];
+        snap[irow++][icoeff+typeoffset_global] += dbdz*x[i][0];
+        snap[irow++][icoeff+typeoffset_global] += dbdy*x[i][0];
+      }
+    }
+}
+
+/* ----------------------------------------------------------------------
+   memory usage
+------------------------------------------------------------------------- */
+
+double ComputeSnap::memory_usage()
+{
+
+  double bytes = size_array_rows*size_array_cols *
+    sizeof(double);                                     // snap
+  bytes += size_array_rows*size_array_cols *
+    sizeof(double);                                     // snapall
+  bytes += nmax*size_peratom * sizeof(double);          // snap_peratom
+  bytes += snaptr->memory_usage();                      // SNA object
+
+  return bytes;
+}
diff --git a/src/SNAP/compute_snap.h b/src/SNAP/compute_snap.h
new file mode 100644
index 0000000000..4f30b7c507
--- /dev/null
+++ b/src/SNAP/compute_snap.h
@@ -0,0 +1,82 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef COMPUTE_CLASS
+
+ComputeStyle(snap,ComputeSnap)
+
+#else
+
+#ifndef LMP_COMPUTE_SNAP_H
+#define LMP_COMPUTE_SNAP_H
+
+#include "compute.h"
+
+namespace LAMMPS_NS {
+
+class ComputeSnap : public Compute {
+ public:
+  ComputeSnap(class LAMMPS *, int, char **);
+  ~ComputeSnap();
+  void init();
+  void init_list(int, class NeighList *);
+  void compute_array();
+  double memory_usage();
+
+ private:
+  int natoms, nmax, size_peratom, lastcol;
+  int ncoeff, nperdim, yoffset, zoffset;
+  int ndims_peratom, ndims_force, ndims_virial;
+  double **cutsq;
+  class NeighList *list;
+  double **snap, **snapall;
+  double **snap_peratom;
+  double rcutfac;
+  double *radelem;
+  double *wjelem;
+  class SNA* snaptr;
+  double cutmax;
+  int quadraticflag;
+
+  Compute *c_pe;
+  Compute *c_virial;
+
+  void dbdotr_compute();
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: Illegal ... command
+
+Self-explanatory.  Check the input script syntax and compare to the
+documentation for the command.  You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
+
+E: Compute snap requires a pair style be defined
+
+Self-explanatory.
+
+E: Compute snap cutoff is longer than pairwise cutoff
+
+UNDOCUMENTED
+
+W: More than one compute snad/atom
+
+Self-explanatory.
+
+*/
diff --git a/src/SPIN/README b/src/SPIN/README
index a4eb4ff22b..ad296c69b7 100644
--- a/src/SPIN/README
+++ b/src/SPIN/README
@@ -8,7 +8,6 @@ atom in the system
 * integrating the equations of motion for the coupled spin-lattice system
 * implementing magnetic pair interactions and magnetic forces
 * thermostating and applying a transverse damping to the magnetic spins
-* minimizing spin configurations with an adaptive timestep scheme
 * performing geodesic NEB calculations
 * computing and outputing magnetic quantities
 * minimizing the energy or total torque of a magnetic system
diff --git a/src/SPIN/atom_vec_spin.cpp b/src/SPIN/atom_vec_spin.cpp
index ad1384ffd2..28c52bb39d 100644
--- a/src/SPIN/atom_vec_spin.cpp
+++ b/src/SPIN/atom_vec_spin.cpp
@@ -848,17 +848,16 @@ void AtomVecSpin::data_atom(double *coord, imageint imagetmp, char **values)
 
 int AtomVecSpin::data_atom_hybrid(int nlocal, char **values)
 {
-
-  sp[nlocal][0] = utils::numeric(FLERR,values[0],true,lmp);
-  sp[nlocal][1] = utils::numeric(FLERR,values[1],true,lmp);
-  sp[nlocal][2] = utils::numeric(FLERR,values[2],true,lmp);
+  sp[nlocal][3] = utils::numeric(FLERR,values[0],true,lmp);
+  sp[nlocal][0] = utils::numeric(FLERR,values[1],true,lmp);
+  sp[nlocal][1] = utils::numeric(FLERR,values[2],true,lmp);
+  sp[nlocal][2] = utils::numeric(FLERR,values[3],true,lmp);
   double inorm = 1.0/sqrt(sp[nlocal][0]*sp[nlocal][0] +
                           sp[nlocal][1]*sp[nlocal][1] +
                           sp[nlocal][2]*sp[nlocal][2]);
   sp[nlocal][0] *= inorm;
   sp[nlocal][1] *= inorm;
   sp[nlocal][2] *= inorm;
-  sp[nlocal][3] = utils::numeric(FLERR,values[3],true,lmp);
 
   return 4;
 }
diff --git a/src/SPIN/compute_spin.cpp b/src/SPIN/compute_spin.cpp
index 1f808eb1bd..7ee2b5bcfc 100644
--- a/src/SPIN/compute_spin.cpp
+++ b/src/SPIN/compute_spin.cpp
@@ -128,7 +128,7 @@ void ComputeSpin::compute_vector()
   magtot[2] *= scale;
   magtot[3] = sqrt((magtot[0]*magtot[0])+(magtot[1]*magtot[1])+(magtot[2]*magtot[2]));
   spintemperature = hbar*tempnumtot;
-  spintemperature /= (kb*tempdenomtot);
+  spintemperature /= (2.0*kb*tempdenomtot);
 
   vector[0] = magtot[0];
   vector[1] = magtot[1];
diff --git a/src/SPIN/fix_langevin_spin.cpp b/src/SPIN/fix_langevin_spin.cpp
index ec9c98c4f8..6b9ad517bb 100644
--- a/src/SPIN/fix_langevin_spin.cpp
+++ b/src/SPIN/fix_langevin_spin.cpp
@@ -30,7 +30,8 @@
 #include "math_const.h"
 #include "memory.h"
 #include "modify.h"
-#include "random_park.h"
+// #include "random_park.h"
+#include "random_mars.h"
 #include "respa.h"
 #include "update.h"
 #include "utils.h"
@@ -74,7 +75,8 @@ FixLangevinSpin::FixLangevinSpin(LAMMPS *lmp, int narg, char **arg) :
 
   // initialize Marsaglia RNG with processor-unique seed
 
-  random = new RanPark(lmp,seed + comm->me);
+  // random = new RanPark(lmp,seed + comm->me);
+  random = new RanMars(lmp,seed + comm->me);
 
 }
 
@@ -82,8 +84,6 @@ FixLangevinSpin::FixLangevinSpin(LAMMPS *lmp, int narg, char **arg) :
 
 FixLangevinSpin::~FixLangevinSpin()
 {
-  memory->destroy(spi);
-  memory->destroy(fmi);
   delete random;
 }
 
@@ -113,15 +113,15 @@ void FixLangevinSpin::init()
   }
   if (flag_force >= flag_lang) error->all(FLERR,"Fix langevin/spin has to come after all other spin fixes");
 
-  memory->create(spi,3,"langevin:spi");
-  memory->create(fmi,3,"langevin:fmi");
-
   gil_factor = 1.0/(1.0+(alpha_t)*(alpha_t));
-  dts = update->dt;
+  dts = 0.25 * update->dt;
 
   double hbar = force->hplanck/MY_2PI;  // eV/(rad.THz)
   double kb = force->boltz;             // eV/K
-  D = (MY_2PI*alpha_t*gil_factor*kb*temp);
+  // D = (MY_2PI*alpha_t*gil_factor*kb*temp);
+
+  D = (alpha_t*gil_factor*kb*temp);
+  // D = (12.0/MY_2PI)*(MY_2PI*alpha_t*gil_factor*kb*temp);
   D /= (hbar*dts);
   sigma = sqrt(2.0*D);
 }
@@ -157,9 +157,12 @@ void FixLangevinSpin::add_tdamping(double spi[3], double fmi[3])
 void FixLangevinSpin::add_temperature(double fmi[3])
 {
 
-  double rx = sigma*(2.0*random->uniform() - 1.0);
-  double ry = sigma*(2.0*random->uniform() - 1.0);
-  double rz = sigma*(2.0*random->uniform() - 1.0);
+  // double rx = sigma*(2.0*random->uniform() - 1.0);
+  // double ry = sigma*(2.0*random->uniform() - 1.0);
+  // double rz = sigma*(2.0*random->uniform() - 1.0);
+  double rx = sigma*random->gaussian();
+  double ry = sigma*random->gaussian();
+  double rz = sigma*random->gaussian();
 
   // adding the random field
 
diff --git a/src/SPIN/fix_langevin_spin.h b/src/SPIN/fix_langevin_spin.h
index b581b70d34..0e4fc69f92 100644
--- a/src/SPIN/fix_langevin_spin.h
+++ b/src/SPIN/fix_langevin_spin.h
@@ -32,12 +32,11 @@ class FixLangevinSpin : public Fix {
   void init();
   void setup(int);
   void post_force_respa(int, int, int);
-  void add_tdamping(double spi[3], double fmi[3]);      // add transverse damping
-  void add_temperature(double fmi[3]);                  // add temperature
-  int tdamp_flag, ldamp_flag, temp_flag;                // damping and temperature flags
+  void add_tdamping(double *, double *);                 // add transverse damping
+  void add_temperature(double *);                        // add temperature
+  int tdamp_flag, ldamp_flag, temp_flag;                 // damping and temperature flags
 
  protected:
-  double *spi, *fmi;
   double alpha_t;               // transverse mag. damping
   double dts;                   // magnetic timestep
   double temp;                  // spin bath temperature
@@ -48,7 +47,7 @@ class FixLangevinSpin : public Fix {
   class Compute *temperature;
 
   int nlevels_respa;
-  class RanPark *random;
+  class RanMars *random;
   int seed;
 
 };
diff --git a/src/SPIN/fix_precession_spin.cpp b/src/SPIN/fix_precession_spin.cpp
index e1f24e36c2..2d55de33ea 100644
--- a/src/SPIN/fix_precession_spin.cpp
+++ b/src/SPIN/fix_precession_spin.cpp
@@ -175,7 +175,7 @@ void FixPrecessionSpin::init()
 {
   const double hbar = force->hplanck/MY_2PI;    // eV/(rad.THz)
   const double mub = 5.78901e-5;                // in eV/T
-  const double gyro = mub/hbar;                 // in rad.THz/T
+  const double gyro = 2.0*mub/hbar;             // in rad.THz/T
 
   // convert field quantities to rad.THz
 
@@ -320,48 +320,6 @@ double FixPrecessionSpin::compute_anisotropy_energy(double spi[3])
   return energy;
 }
 
-/* ---------------------------------------------------------------------- */
-
-void FixPrecessionSpin::post_force_respa(int vflag, int ilevel, int /*iloop*/)
-{
-  if (ilevel == ilevel_respa) post_force(vflag);
-}
-
-/* ---------------------------------------------------------------------- */
-
-void FixPrecessionSpin::set_magneticprecession()
-{
-  if (zeeman_flag) {
-    hx = H_field*nhx;
-    hy = H_field*nhy;
-    hz = H_field*nhz;
-  }
-  if (aniso_flag) {
-    Kax = 2.0*Kah*nax;
-    Kay = 2.0*Kah*nay;
-    Kaz = 2.0*Kah*naz;
-  }
-}
-
-/* ----------------------------------------------------------------------
-   compute cubic aniso energy of spin i
-------------------------------------------------------------------------- */
-
-double FixPrecessionSpin::compute_cubic_energy(double spi[3])
-{
-  double energy = 0.0;
-  double skx,sky,skz;
-
-  skx = spi[0]*nc1x+spi[1]*nc1y+spi[2]*nc1z;
-  sky = spi[0]*nc2x+spi[1]*nc2y+spi[2]*nc2z;
-  skz = spi[0]*nc3x+spi[1]*nc3y+spi[2]*nc3z;
-
-  energy = k1c*(skx*skx*sky*sky + sky*sky*skz*skz + skx*skx*skz*skz);
-  energy += k2c*skx*skx*sky*sky*skz*skz;
-
-  return energy;
-}
-
 /* ----------------------------------------------------------------------
    compute cubic anisotropy interaction for spin i
 ------------------------------------------------------------------------- */
@@ -396,9 +354,44 @@ void FixPrecessionSpin::compute_cubic(double spi[3], double fmi[3])
   sixy = k2ch*(nc1y*six1 + nc2y*six2 + nc3y*six3);
   sixz = k2ch*(nc1z*six1 + nc2z*six2 + nc3z*six3);
 
-  fmi[0] += fourx + sixx;
-  fmi[1] += foury + sixy;
-  fmi[2] += fourz + sixz;
+  fmi[0] += (fourx + sixx);
+  fmi[1] += (foury + sixy);
+  fmi[2] += (fourz + sixz);
+}
+
+/* ----------------------------------------------------------------------
+   compute cubic aniso energy of spin i
+------------------------------------------------------------------------- */
+
+double FixPrecessionSpin::compute_cubic_energy(double spi[3])
+{
+  double energy = 0.0;
+  double skx,sky,skz;
+
+  skx = spi[0]*nc1x+spi[1]*nc1y+spi[2]*nc1z;
+  sky = spi[0]*nc2x+spi[1]*nc2y+spi[2]*nc2z;
+  skz = spi[0]*nc3x+spi[1]*nc3y+spi[2]*nc3z;
+
+  energy = k1c*(skx*skx*sky*sky + sky*sky*skz*skz + skx*skx*skz*skz);
+  energy += k2c*skx*skx*sky*sky*skz*skz;
+
+  return energy;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixPrecessionSpin::set_magneticprecession()
+{
+  if (zeeman_flag) {
+    hx = H_field*nhx;
+    hy = H_field*nhy;
+    hz = H_field*nhz;
+  }
+  if (aniso_flag) {
+    Kax = 2.0*Kah*nax;
+    Kay = 2.0*Kah*nay;
+    Kaz = 2.0*Kah*naz;
+  }
 }
 
 /* ----------------------------------------------------------------------
@@ -422,3 +415,10 @@ void FixPrecessionSpin::min_post_force(int vflag)
 {
   post_force(vflag);
 }
+
+/* ---------------------------------------------------------------------- */
+
+void FixPrecessionSpin::post_force_respa(int vflag, int ilevel, int /*iloop*/)
+{
+  if (ilevel == ilevel_respa) post_force(vflag);
+}
diff --git a/src/SPIN/pair_spin_dipole_cut.cpp b/src/SPIN/pair_spin_dipole_cut.cpp
index a393fe7021..a7372b480d 100644
--- a/src/SPIN/pair_spin_dipole_cut.cpp
+++ b/src/SPIN/pair_spin_dipole_cut.cpp
@@ -252,7 +252,7 @@ void PairSpinDipoleCut::compute(int eflag, int vflag)
       if (eflag) {
         if (rsq <= local_cut2) {
           evdwl -= (spi[0]*fmi[0] + spi[1]*fmi[1] + spi[2]*fmi[2]);
-          evdwl *= hbar;
+          evdwl *= 0.5*hbar;
         }
       } else evdwl = 0.0;
 
diff --git a/src/SPIN/pair_spin_dipole_long.cpp b/src/SPIN/pair_spin_dipole_long.cpp
index 356f73a809..124522a9b9 100644
--- a/src/SPIN/pair_spin_dipole_long.cpp
+++ b/src/SPIN/pair_spin_dipole_long.cpp
@@ -296,7 +296,7 @@ void PairSpinDipoleLong::compute(int eflag, int vflag)
         if (rsq <= local_cut2) {
           evdwl -= spi[0]*fmi[0] + spi[1]*fmi[1] +
             spi[2]*fmi[2];
-          evdwl *= hbar;
+          evdwl *= 0.5*hbar;
         }
       } else evdwl = 0.0;
 
diff --git a/src/SPIN/pair_spin_dmi.cpp b/src/SPIN/pair_spin_dmi.cpp
index af68c0d256..04c2dc408d 100644
--- a/src/SPIN/pair_spin_dmi.cpp
+++ b/src/SPIN/pair_spin_dmi.cpp
@@ -319,7 +319,6 @@ void PairSpinDmi::compute_single_pair(int ii, double fmi[3])
   // if interaction applies to type ii,
   // locflag = 1 and compute pair interaction
 
-  //i = ilist[ii];
   if (locflag == 1) {
 
     xi[0] = x[ii][0];
@@ -373,9 +372,9 @@ void PairSpinDmi::compute_dmi(int i, int j, double eij[3], double fmi[3], double
   dmiy = eij[2]*v_dmx[itype][jtype] - eij[0]*v_dmz[itype][jtype];
   dmiz = eij[0]*v_dmy[itype][jtype] - eij[1]*v_dmx[itype][jtype];
 
-  fmi[0] -= 2.0*(dmiy*spj[2] - dmiz*spj[1]);
-  fmi[1] -= 2.0*(dmiz*spj[0] - dmix*spj[2]);
-  fmi[2] -= 2.0*(dmix*spj[1] - dmiy*spj[0]);
+  fmi[0] -= (dmiy*spj[2] - dmiz*spj[1]);
+  fmi[1] -= (dmiz*spj[0] - dmix*spj[2]);
+  fmi[2] -= (dmix*spj[1] - dmiy*spj[0]);
 }
 
 /* ----------------------------------------------------------------------
diff --git a/src/SPIN/pair_spin_exchange.cpp b/src/SPIN/pair_spin_exchange.cpp
index ce5cf325c6..6eacb04ee3 100644
--- a/src/SPIN/pair_spin_exchange.cpp
+++ b/src/SPIN/pair_spin_exchange.cpp
@@ -243,6 +243,7 @@ void PairSpinExchange::compute(int eflag, int vflag)
       if (eflag) {
         evdwl -= (spi[0]*fmi[0] + spi[1]*fmi[1] + spi[2]*fmi[2]);
         evdwl *= 0.5*hbar;
+        // evdwl *= hbar;
       } else evdwl = 0.0;
 
       if (evflag) ev_tally_xyz(i,j,nlocal,newton_pair,
@@ -351,9 +352,9 @@ void PairSpinExchange::compute_exchange(int i, int j, double rsq, double fmi[3],
   Jex *= (1.0-J2[itype][jtype]*ra);
   Jex *= exp(-ra);
 
-  fmi[0] += 2.0*Jex*spj[0];
-  fmi[1] += 2.0*Jex*spj[1];
-  fmi[2] += 2.0*Jex*spj[2];
+  fmi[0] += Jex*spj[0];
+  fmi[1] += Jex*spj[1];
+  fmi[2] += Jex*spj[2];
 }
 
 /* ----------------------------------------------------------------------
diff --git a/src/SPIN/pair_spin_magelec.cpp b/src/SPIN/pair_spin_magelec.cpp
index 664f8df56c..fabad4ae4d 100644
--- a/src/SPIN/pair_spin_magelec.cpp
+++ b/src/SPIN/pair_spin_magelec.cpp
@@ -251,7 +251,7 @@ void PairSpinMagelec::compute(int eflag, int vflag)
 
       if (eflag) {
         evdwl -= (spi[0]*fmi[0] + spi[1]*fmi[1] + spi[2]*fmi[2]);
-        evdwl *= hbar;
+        evdwl *= 0.5*hbar;
       } else evdwl = 0.0;
 
       if (evflag) ev_tally_xyz(i,j,nlocal,newton_pair,
@@ -362,17 +362,17 @@ void PairSpinMagelec::compute_magelec(int i, int j, double eij[3], double fmi[3]
   vy = v_mey[itype][jtype];
   vz = v_mez[itype][jtype];
 
-  meix = vy*eij[2] - vz*eij[1];
-  meiy = vz*eij[0] - vx*eij[2];
-  meiz = vx*eij[1] - vy*eij[0];
+  meix = (vy*eij[2] - vz*eij[1]);
+  meiy = (vz*eij[0] - vx*eij[2]);
+  meiz = (vx*eij[1] - vy*eij[0]);
 
   meix *= ME[itype][jtype];
   meiy *= ME[itype][jtype];
   meiz *= ME[itype][jtype];
 
-  fmi[0] += spj[1]*meiz - spj[2]*meiy;
-  fmi[1] += spj[2]*meix - spj[0]*meiz;
-  fmi[2] += spj[0]*meiy - spj[1]*meix;
+  fmi[0] += (spj[1]*meiz - spj[2]*meiy);
+  fmi[1] += (spj[2]*meix - spj[0]*meiz);
+  fmi[2] += (spj[0]*meiy - spj[1]*meix);
 }
 
 /* ---------------------------------------------------------------------- */
@@ -391,17 +391,17 @@ void PairSpinMagelec::compute_magelec_mech(int i, int j, double fi[3], double sp
   vy = v_mey[itype][jtype];
   vz = v_mez[itype][jtype];
 
-  meix = spi[1]*spi[2] - spi[2]*spj[1];
-  meiy = spi[2]*spi[0] - spi[0]*spj[2];
-  meiz = spi[0]*spi[1] - spi[1]*spj[0];
+  meix = (spi[1]*spi[2] - spi[2]*spj[1]);
+  meiy = (spi[2]*spi[0] - spi[0]*spj[2]);
+  meiz = (spi[0]*spi[1] - spi[1]*spj[0]);
 
   meix *= ME_mech[itype][jtype];
   meiy *= ME_mech[itype][jtype];
   meiz *= ME_mech[itype][jtype];
 
-  fi[0] += meiy*vz - meiz*vy;
-  fi[1] += meiz*vx - meix*vz;
-  fi[2] += meix*vy - meiy*vx;
+  fi[0] += (meiy*vz - meiz*vy);
+  fi[1] += (meiz*vx - meix*vz);
+  fi[2] += (meix*vy - meiy*vx);
 
 }
 
diff --git a/src/SPIN/pair_spin_neel.cpp b/src/SPIN/pair_spin_neel.cpp
index a3114497a6..4a5d453de2 100644
--- a/src/SPIN/pair_spin_neel.cpp
+++ b/src/SPIN/pair_spin_neel.cpp
@@ -260,7 +260,7 @@ void PairSpinNeel::compute(int eflag, int vflag)
 
       if (eflag) {
         evdwl = (spi[0]*fmi[0] + spi[1]*fmi[1] + spi[2]*fmi[2]);
-        evdwl *= hbar;
+        evdwl *= 0.5*hbar;
       } else evdwl = 0.0;
 
       if (evflag) ev_tally_xyz(i,j,nlocal,newton_pair,
diff --git a/src/USER-FEP/pair_coul_cut_soft.cpp b/src/USER-FEP/pair_coul_cut_soft.cpp
index 5a87a2f740..eb872ab8b9 100644
--- a/src/USER-FEP/pair_coul_cut_soft.cpp
+++ b/src/USER-FEP/pair_coul_cut_soft.cpp
@@ -32,7 +32,9 @@ using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
 
-PairCoulCutSoft::PairCoulCutSoft(LAMMPS *lmp) : Pair(lmp) {}
+PairCoulCutSoft::PairCoulCutSoft(LAMMPS *lmp) : Pair(lmp) {
+  centroidstressflag = 1;
+}
 
 /* ---------------------------------------------------------------------- */
 
diff --git a/src/USER-FEP/pair_lj_class2_coul_cut_soft.cpp b/src/USER-FEP/pair_lj_class2_coul_cut_soft.cpp
index 4913cf1271..255bdf6a07 100644
--- a/src/USER-FEP/pair_lj_class2_coul_cut_soft.cpp
+++ b/src/USER-FEP/pair_lj_class2_coul_cut_soft.cpp
@@ -33,6 +33,7 @@ using namespace MathConst;
 PairLJClass2CoulCutSoft::PairLJClass2CoulCutSoft(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
+  centroidstressflag = 1;
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-FEP/pair_lj_class2_soft.cpp b/src/USER-FEP/pair_lj_class2_soft.cpp
index eccc07f7c1..957fc0f8ab 100644
--- a/src/USER-FEP/pair_lj_class2_soft.cpp
+++ b/src/USER-FEP/pair_lj_class2_soft.cpp
@@ -32,6 +32,7 @@ using namespace MathConst;
 PairLJClass2Soft::PairLJClass2Soft(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
+  centroidstressflag = 1;
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp b/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp
index 6e5e746879..3f85a2c8aa 100644
--- a/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp
+++ b/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp
@@ -37,6 +37,7 @@ using namespace MathConst;
 PairLJCutCoulCutSoft::PairLJCutCoulCutSoft(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
+  centroidstressflag = 1;
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-FEP/pair_lj_cut_soft.cpp b/src/USER-FEP/pair_lj_cut_soft.cpp
index 62b7e76977..9d03b4e1e2 100644
--- a/src/USER-FEP/pair_lj_cut_soft.cpp
+++ b/src/USER-FEP/pair_lj_cut_soft.cpp
@@ -43,6 +43,7 @@ PairLJCutSoft::PairLJCutSoft(LAMMPS *lmp) : Pair(lmp)
   respa_enable = 1;
   writedata = 1;
   allocated = 0;
+  centroidstressflag = 1;
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-INTEL/intel_intrinsics.h b/src/USER-INTEL/intel_intrinsics.h
index 069eb5bed5..ee20cd1119 100644
--- a/src/USER-INTEL/intel_intrinsics.h
+++ b/src/USER-INTEL/intel_intrinsics.h
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 /* ----------------------------------------------------------------------
-   Contributing author: Markus Höhnerbach (RWTH)
+   Contributing author: Markus Hoehnerbach (RWTH)
 ------------------------------------------------------------------------- */
 
 // This file provides an intrinsics abstraction that allows access to the
diff --git a/src/USER-MISC/compute_gyration_shape_chunk.cpp b/src/USER-MISC/compute_gyration_shape_chunk.cpp
index 08484d9301..b493455ebf 100644
--- a/src/USER-MISC/compute_gyration_shape_chunk.cpp
+++ b/src/USER-MISC/compute_gyration_shape_chunk.cpp
@@ -39,7 +39,7 @@ ComputeGyrationShapeChunk::ComputeGyrationShapeChunk(LAMMPS *lmp, int narg, char
   int n = strlen(arg[3]) + 1;
   id_gyration_chunk = new char[n];
   strcpy(id_gyration_chunk,arg[3]);
- 
+
   init();
 
   array_flag = 1;
diff --git a/src/USER-MISC/pair_agni.cpp b/src/USER-MISC/pair_agni.cpp
index b3abc647ef..a03e24ed35 100644
--- a/src/USER-MISC/pair_agni.cpp
+++ b/src/USER-MISC/pair_agni.cpp
@@ -243,7 +243,7 @@ void PairAGNI::allocate()
    global settings
 ------------------------------------------------------------------------- */
 
-void PairAGNI::settings(int narg, char **/*arg*/)
+void PairAGNI::settings(int narg, char ** /* arg */)
 {
   if (narg != 0) error->all(FLERR,"Illegal pair_style command");
 }
diff --git a/src/USER-OMP/angle_charmm_omp.cpp b/src/USER-OMP/angle_charmm_omp.cpp
index f135446915..116c937788 100644
--- a/src/USER-OMP/angle_charmm_omp.cpp
+++ b/src/USER-OMP/angle_charmm_omp.cpp
@@ -55,7 +55,7 @@ void AngleCharmmOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/angle_class2_omp.cpp b/src/USER-OMP/angle_class2_omp.cpp
index 0cf5489663..9aab1d73b3 100644
--- a/src/USER-OMP/angle_class2_omp.cpp
+++ b/src/USER-OMP/angle_class2_omp.cpp
@@ -55,7 +55,7 @@ void AngleClass2OMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/angle_cosine_delta_omp.cpp b/src/USER-OMP/angle_cosine_delta_omp.cpp
index 7f4d994c4f..44326c124e 100644
--- a/src/USER-OMP/angle_cosine_delta_omp.cpp
+++ b/src/USER-OMP/angle_cosine_delta_omp.cpp
@@ -55,7 +55,7 @@ void AngleCosineDeltaOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/angle_cosine_omp.cpp b/src/USER-OMP/angle_cosine_omp.cpp
index 0543c94799..3bfa2aa39c 100644
--- a/src/USER-OMP/angle_cosine_omp.cpp
+++ b/src/USER-OMP/angle_cosine_omp.cpp
@@ -55,7 +55,7 @@ void AngleCosineOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/angle_cosine_periodic_omp.cpp b/src/USER-OMP/angle_cosine_periodic_omp.cpp
index 907315f83b..700179119c 100644
--- a/src/USER-OMP/angle_cosine_periodic_omp.cpp
+++ b/src/USER-OMP/angle_cosine_periodic_omp.cpp
@@ -57,7 +57,7 @@ void AngleCosinePeriodicOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/angle_cosine_shift_exp_omp.cpp b/src/USER-OMP/angle_cosine_shift_exp_omp.cpp
index 6c42319905..1e37688425 100644
--- a/src/USER-OMP/angle_cosine_shift_exp_omp.cpp
+++ b/src/USER-OMP/angle_cosine_shift_exp_omp.cpp
@@ -55,7 +55,7 @@ void AngleCosineShiftExpOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/angle_cosine_shift_omp.cpp b/src/USER-OMP/angle_cosine_shift_omp.cpp
index 5c0afcf316..35b409edf1 100644
--- a/src/USER-OMP/angle_cosine_shift_omp.cpp
+++ b/src/USER-OMP/angle_cosine_shift_omp.cpp
@@ -55,7 +55,7 @@ void AngleCosineShiftOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/angle_cosine_squared_omp.cpp b/src/USER-OMP/angle_cosine_squared_omp.cpp
index 27c47b90d8..9da5a0fce3 100644
--- a/src/USER-OMP/angle_cosine_squared_omp.cpp
+++ b/src/USER-OMP/angle_cosine_squared_omp.cpp
@@ -55,7 +55,7 @@ void AngleCosineSquaredOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/angle_dipole_omp.cpp b/src/USER-OMP/angle_dipole_omp.cpp
index 6af5b44a03..33ec216f6a 100644
--- a/src/USER-OMP/angle_dipole_omp.cpp
+++ b/src/USER-OMP/angle_dipole_omp.cpp
@@ -59,7 +59,7 @@ void AngleDipoleOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag)
diff --git a/src/USER-OMP/angle_fourier_omp.cpp b/src/USER-OMP/angle_fourier_omp.cpp
index 98527c2028..64ff99e6c6 100644
--- a/src/USER-OMP/angle_fourier_omp.cpp
+++ b/src/USER-OMP/angle_fourier_omp.cpp
@@ -55,7 +55,7 @@ void AngleFourierOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/angle_fourier_simple_omp.cpp b/src/USER-OMP/angle_fourier_simple_omp.cpp
index 71d0197b72..2ae8c5561d 100644
--- a/src/USER-OMP/angle_fourier_simple_omp.cpp
+++ b/src/USER-OMP/angle_fourier_simple_omp.cpp
@@ -55,7 +55,7 @@ void AngleFourierSimpleOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/angle_harmonic_omp.cpp b/src/USER-OMP/angle_harmonic_omp.cpp
index ee08bbd8ad..66c0602396 100644
--- a/src/USER-OMP/angle_harmonic_omp.cpp
+++ b/src/USER-OMP/angle_harmonic_omp.cpp
@@ -55,7 +55,7 @@ void AngleHarmonicOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/angle_quartic_omp.cpp b/src/USER-OMP/angle_quartic_omp.cpp
index 5745948222..903b0e4225 100644
--- a/src/USER-OMP/angle_quartic_omp.cpp
+++ b/src/USER-OMP/angle_quartic_omp.cpp
@@ -55,7 +55,7 @@ void AngleQuarticOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/angle_sdk_omp.cpp b/src/USER-OMP/angle_sdk_omp.cpp
index e0b1da0baf..3c8ee9cde8 100644
--- a/src/USER-OMP/angle_sdk_omp.cpp
+++ b/src/USER-OMP/angle_sdk_omp.cpp
@@ -57,7 +57,7 @@ void AngleSDKOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/angle_table_omp.cpp b/src/USER-OMP/angle_table_omp.cpp
index 4f6edf2073..de36d09980 100644
--- a/src/USER-OMP/angle_table_omp.cpp
+++ b/src/USER-OMP/angle_table_omp.cpp
@@ -55,7 +55,7 @@ void AngleTableOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/bond_class2_omp.cpp b/src/USER-OMP/bond_class2_omp.cpp
index 7d1b693faf..9da50d1aa0 100644
--- a/src/USER-OMP/bond_class2_omp.cpp
+++ b/src/USER-OMP/bond_class2_omp.cpp
@@ -55,7 +55,7 @@ void BondClass2OMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/bond_fene_expand_omp.cpp b/src/USER-OMP/bond_fene_expand_omp.cpp
index aefae6dcf7..a937cb6c34 100644
--- a/src/USER-OMP/bond_fene_expand_omp.cpp
+++ b/src/USER-OMP/bond_fene_expand_omp.cpp
@@ -56,7 +56,7 @@ void BondFENEExpandOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/bond_fene_omp.cpp b/src/USER-OMP/bond_fene_omp.cpp
index 2b579114ba..3c653fedae 100644
--- a/src/USER-OMP/bond_fene_omp.cpp
+++ b/src/USER-OMP/bond_fene_omp.cpp
@@ -56,7 +56,7 @@ void BondFENEOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/bond_gromos_omp.cpp b/src/USER-OMP/bond_gromos_omp.cpp
index ba23217a1f..cedd5f96b7 100644
--- a/src/USER-OMP/bond_gromos_omp.cpp
+++ b/src/USER-OMP/bond_gromos_omp.cpp
@@ -52,7 +52,7 @@ void BondGromosOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/bond_harmonic_omp.cpp b/src/USER-OMP/bond_harmonic_omp.cpp
index 5515284f9a..4144f02a39 100644
--- a/src/USER-OMP/bond_harmonic_omp.cpp
+++ b/src/USER-OMP/bond_harmonic_omp.cpp
@@ -54,7 +54,7 @@ void BondHarmonicOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/bond_harmonic_shift_cut_omp.cpp b/src/USER-OMP/bond_harmonic_shift_cut_omp.cpp
index a871fa8c04..10e4cdcd1c 100644
--- a/src/USER-OMP/bond_harmonic_shift_cut_omp.cpp
+++ b/src/USER-OMP/bond_harmonic_shift_cut_omp.cpp
@@ -54,7 +54,7 @@ void BondHarmonicShiftCutOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/bond_harmonic_shift_omp.cpp b/src/USER-OMP/bond_harmonic_shift_omp.cpp
index 4117da9159..a0a7750890 100644
--- a/src/USER-OMP/bond_harmonic_shift_omp.cpp
+++ b/src/USER-OMP/bond_harmonic_shift_omp.cpp
@@ -54,7 +54,7 @@ void BondHarmonicShiftOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/bond_morse_omp.cpp b/src/USER-OMP/bond_morse_omp.cpp
index e6526dc8dc..32361cb5de 100644
--- a/src/USER-OMP/bond_morse_omp.cpp
+++ b/src/USER-OMP/bond_morse_omp.cpp
@@ -54,7 +54,7 @@ void BondMorseOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/bond_nonlinear_omp.cpp b/src/USER-OMP/bond_nonlinear_omp.cpp
index 0d1a648415..f21772435f 100644
--- a/src/USER-OMP/bond_nonlinear_omp.cpp
+++ b/src/USER-OMP/bond_nonlinear_omp.cpp
@@ -54,7 +54,7 @@ void BondNonlinearOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/bond_quartic_omp.cpp b/src/USER-OMP/bond_quartic_omp.cpp
index 60d3a5601c..46ee4ab96b 100644
--- a/src/USER-OMP/bond_quartic_omp.cpp
+++ b/src/USER-OMP/bond_quartic_omp.cpp
@@ -60,7 +60,7 @@ void BondQuarticOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/bond_table_omp.cpp b/src/USER-OMP/bond_table_omp.cpp
index 8e1e792c73..db1599fbcc 100644
--- a/src/USER-OMP/bond_table_omp.cpp
+++ b/src/USER-OMP/bond_table_omp.cpp
@@ -54,7 +54,7 @@ void BondTableOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/dihedral_charmm_omp.cpp b/src/USER-OMP/dihedral_charmm_omp.cpp
index 95ad9af6a6..242a0a1d86 100644
--- a/src/USER-OMP/dihedral_charmm_omp.cpp
+++ b/src/USER-OMP/dihedral_charmm_omp.cpp
@@ -64,7 +64,7 @@ void DihedralCharmmOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/dihedral_class2_omp.cpp b/src/USER-OMP/dihedral_class2_omp.cpp
index 6c2bc02ff4..215677612b 100644
--- a/src/USER-OMP/dihedral_class2_omp.cpp
+++ b/src/USER-OMP/dihedral_class2_omp.cpp
@@ -58,7 +58,7 @@ void DihedralClass2OMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
@@ -159,6 +159,11 @@ void DihedralClass2OMP::eval(int nfrom, int nto, ThrData * const thr)
     costh13 = c0;
     costh23 = (vb2xm*vb3x + vb2ym*vb3y + vb2zm*vb3z) * r12c2;
 
+    costh12 = MAX(MIN(costh12, 1.0), -1.0);
+    costh13 = MAX(MIN(costh13, 1.0), -1.0);
+    costh23 = MAX(MIN(costh23, 1.0), -1.0);
+    c0 = costh13;
+
     // cos and sin of 2 angles and final c
 
     sin2 = MAX(1.0 - costh12*costh12,0.0);
diff --git a/src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp b/src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp
index d77e9d6b3e..f42121f8a9 100644
--- a/src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp
+++ b/src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp
@@ -58,7 +58,7 @@ void DihedralCosineShiftExpOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/dihedral_fourier_omp.cpp b/src/USER-OMP/dihedral_fourier_omp.cpp
index 93dbd773ca..cd12b3630e 100644
--- a/src/USER-OMP/dihedral_fourier_omp.cpp
+++ b/src/USER-OMP/dihedral_fourier_omp.cpp
@@ -57,7 +57,7 @@ void DihedralFourierOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/dihedral_harmonic_omp.cpp b/src/USER-OMP/dihedral_harmonic_omp.cpp
index 84aa584d9e..c3adb113e2 100644
--- a/src/USER-OMP/dihedral_harmonic_omp.cpp
+++ b/src/USER-OMP/dihedral_harmonic_omp.cpp
@@ -58,7 +58,7 @@ void DihedralHarmonicOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/dihedral_helix_omp.cpp b/src/USER-OMP/dihedral_helix_omp.cpp
index 51b07754e2..b38ff2739a 100644
--- a/src/USER-OMP/dihedral_helix_omp.cpp
+++ b/src/USER-OMP/dihedral_helix_omp.cpp
@@ -61,7 +61,7 @@ void DihedralHelixOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/dihedral_multi_harmonic_omp.cpp b/src/USER-OMP/dihedral_multi_harmonic_omp.cpp
index 4cb6919a96..7b79a63722 100644
--- a/src/USER-OMP/dihedral_multi_harmonic_omp.cpp
+++ b/src/USER-OMP/dihedral_multi_harmonic_omp.cpp
@@ -58,7 +58,7 @@ void DihedralMultiHarmonicOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/dihedral_nharmonic_omp.cpp b/src/USER-OMP/dihedral_nharmonic_omp.cpp
index 203884531b..f3d8471c95 100644
--- a/src/USER-OMP/dihedral_nharmonic_omp.cpp
+++ b/src/USER-OMP/dihedral_nharmonic_omp.cpp
@@ -58,7 +58,7 @@ void DihedralNHarmonicOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/dihedral_opls_omp.cpp b/src/USER-OMP/dihedral_opls_omp.cpp
index af12bb866e..24cc4cd064 100644
--- a/src/USER-OMP/dihedral_opls_omp.cpp
+++ b/src/USER-OMP/dihedral_opls_omp.cpp
@@ -59,7 +59,7 @@ void DihedralOPLSOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/dihedral_quadratic_omp.cpp b/src/USER-OMP/dihedral_quadratic_omp.cpp
index 8cea62aaea..6f82c1e6b0 100644
--- a/src/USER-OMP/dihedral_quadratic_omp.cpp
+++ b/src/USER-OMP/dihedral_quadratic_omp.cpp
@@ -59,7 +59,7 @@ void DihedralQuadraticOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/dihedral_table_omp.cpp b/src/USER-OMP/dihedral_table_omp.cpp
index 6b10027b9d..a760fc6094 100644
--- a/src/USER-OMP/dihedral_table_omp.cpp
+++ b/src/USER-OMP/dihedral_table_omp.cpp
@@ -121,7 +121,7 @@ void DihedralTableOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/ewald_omp.cpp b/src/USER-OMP/ewald_omp.cpp
index aadf63741d..a539394f69 100644
--- a/src/USER-OMP/ewald_omp.cpp
+++ b/src/USER-OMP/ewald_omp.cpp
@@ -115,7 +115,7 @@ void EwaldOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, nlocal, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, 0, NULL, NULL, thr);
+    ev_setup_thr(eflag, vflag, 0, NULL, NULL, NULL, thr);
 
     for (i = ifrom; i < ito; i++) {
       ek[i][0] = 0.0;
diff --git a/src/USER-OMP/improper_class2_omp.cpp b/src/USER-OMP/improper_class2_omp.cpp
index 3bff179b44..32c7406ada 100644
--- a/src/USER-OMP/improper_class2_omp.cpp
+++ b/src/USER-OMP/improper_class2_omp.cpp
@@ -58,7 +58,7 @@ void ImproperClass2OMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/improper_cossq_omp.cpp b/src/USER-OMP/improper_cossq_omp.cpp
index 0f99f2732f..230f13eac7 100644
--- a/src/USER-OMP/improper_cossq_omp.cpp
+++ b/src/USER-OMP/improper_cossq_omp.cpp
@@ -58,7 +58,7 @@ void ImproperCossqOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/improper_cvff_omp.cpp b/src/USER-OMP/improper_cvff_omp.cpp
index fdc29c74b1..f5ff590775 100644
--- a/src/USER-OMP/improper_cvff_omp.cpp
+++ b/src/USER-OMP/improper_cvff_omp.cpp
@@ -58,7 +58,7 @@ void ImproperCvffOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/improper_fourier_omp.cpp b/src/USER-OMP/improper_fourier_omp.cpp
index b49b895c78..4e83c025d0 100644
--- a/src/USER-OMP/improper_fourier_omp.cpp
+++ b/src/USER-OMP/improper_fourier_omp.cpp
@@ -58,7 +58,7 @@ void ImproperFourierOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/improper_harmonic_omp.cpp b/src/USER-OMP/improper_harmonic_omp.cpp
index 32e837fdfe..f2f19557d9 100644
--- a/src/USER-OMP/improper_harmonic_omp.cpp
+++ b/src/USER-OMP/improper_harmonic_omp.cpp
@@ -58,7 +58,7 @@ void ImproperHarmonicOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/improper_ring_omp.cpp b/src/USER-OMP/improper_ring_omp.cpp
index c8fe685faa..1d0cc6cc46 100644
--- a/src/USER-OMP/improper_ring_omp.cpp
+++ b/src/USER-OMP/improper_ring_omp.cpp
@@ -58,7 +58,7 @@ void ImproperRingOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/improper_umbrella_omp.cpp b/src/USER-OMP/improper_umbrella_omp.cpp
index f3fdf4570f..4cea8a4b63 100644
--- a/src/USER-OMP/improper_umbrella_omp.cpp
+++ b/src/USER-OMP/improper_umbrella_omp.cpp
@@ -58,7 +58,7 @@ void ImproperUmbrellaOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, cvatom, thr);
 
     if (inum > 0) {
       if (evflag) {
diff --git a/src/USER-OMP/pair_adp_omp.cpp b/src/USER-OMP/pair_adp_omp.cpp
index 645d697994..0a48de453e 100644
--- a/src/USER-OMP/pair_adp_omp.cpp
+++ b/src/USER-OMP/pair_adp_omp.cpp
@@ -70,7 +70,7 @@ void PairADPOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (force->newton_pair)
       thr->init_adp(nall, rho, mu, lambda);
diff --git a/src/USER-OMP/pair_agni_omp.cpp b/src/USER-OMP/pair_agni_omp.cpp
index 854bcbebf3..1580256e35 100644
--- a/src/USER-OMP/pair_agni_omp.cpp
+++ b/src/USER-OMP/pair_agni_omp.cpp
@@ -57,7 +57,7 @@ void PairAGNIOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) eval<1>(ifrom, ito, thr);
     else eval<0>(ifrom, ito, thr);
diff --git a/src/USER-OMP/pair_airebo_omp.cpp b/src/USER-OMP/pair_airebo_omp.cpp
index bed6c81ee4..7890c8aed3 100644
--- a/src/USER-OMP/pair_airebo_omp.cpp
+++ b/src/USER-OMP/pair_airebo_omp.cpp
@@ -66,7 +66,7 @@ void PairAIREBOOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     FREBO_thr(ifrom,ito,evflag,eflag,vflag_atom,&pv0,thr);
     if (ljflag) FLJ_thr(ifrom,ito,evflag,eflag,vflag_atom,&pv1,thr);
diff --git a/src/USER-OMP/pair_beck_omp.cpp b/src/USER-OMP/pair_beck_omp.cpp
index 8d0605fae9..72e41f074c 100644
--- a/src/USER-OMP/pair_beck_omp.cpp
+++ b/src/USER-OMP/pair_beck_omp.cpp
@@ -53,7 +53,7 @@ void PairBeckOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_born_coul_long_omp.cpp b/src/USER-OMP/pair_born_coul_long_omp.cpp
index a5df8f8182..f7e3fced46 100644
--- a/src/USER-OMP/pair_born_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_born_coul_long_omp.cpp
@@ -59,7 +59,7 @@ void PairBornCoulLongOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_born_coul_msm_omp.cpp b/src/USER-OMP/pair_born_coul_msm_omp.cpp
index ad1e5e63cd..b057cbc706 100644
--- a/src/USER-OMP/pair_born_coul_msm_omp.cpp
+++ b/src/USER-OMP/pair_born_coul_msm_omp.cpp
@@ -56,7 +56,7 @@ void PairBornCoulMSMOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_born_coul_wolf_omp.cpp b/src/USER-OMP/pair_born_coul_wolf_omp.cpp
index 55da972c4e..bac38ae43a 100644
--- a/src/USER-OMP/pair_born_coul_wolf_omp.cpp
+++ b/src/USER-OMP/pair_born_coul_wolf_omp.cpp
@@ -53,7 +53,7 @@ void PairBornCoulWolfOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_born_omp.cpp b/src/USER-OMP/pair_born_omp.cpp
index 35ad4fcb48..6cacd5625b 100644
--- a/src/USER-OMP/pair_born_omp.cpp
+++ b/src/USER-OMP/pair_born_omp.cpp
@@ -51,7 +51,7 @@ void PairBornOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_brownian_omp.cpp b/src/USER-OMP/pair_brownian_omp.cpp
index 6367976c7d..907a447332 100644
--- a/src/USER-OMP/pair_brownian_omp.cpp
+++ b/src/USER-OMP/pair_brownian_omp.cpp
@@ -143,7 +143,7 @@ void PairBrownianOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     // generate a random number generator instance for
     // all threads != 0. make sure we use unique seeds.
diff --git a/src/USER-OMP/pair_brownian_poly_omp.cpp b/src/USER-OMP/pair_brownian_poly_omp.cpp
index dcb4124634..f6f5f269a5 100644
--- a/src/USER-OMP/pair_brownian_poly_omp.cpp
+++ b/src/USER-OMP/pair_brownian_poly_omp.cpp
@@ -143,7 +143,7 @@ void PairBrownianPolyOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     // generate a random number generator instance for
     // all threads != 0. make sure we use unique seeds.
diff --git a/src/USER-OMP/pair_buck_coul_cut_omp.cpp b/src/USER-OMP/pair_buck_coul_cut_omp.cpp
index b9b77dc2b6..c9ccb12447 100644
--- a/src/USER-OMP/pair_buck_coul_cut_omp.cpp
+++ b/src/USER-OMP/pair_buck_coul_cut_omp.cpp
@@ -51,7 +51,7 @@ void PairBuckCoulCutOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_buck_coul_long_omp.cpp b/src/USER-OMP/pair_buck_coul_long_omp.cpp
index 951ba0688c..0929157895 100644
--- a/src/USER-OMP/pair_buck_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_buck_coul_long_omp.cpp
@@ -59,7 +59,7 @@ void PairBuckCoulLongOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_buck_coul_msm_omp.cpp b/src/USER-OMP/pair_buck_coul_msm_omp.cpp
index 6226191627..a4d322890a 100644
--- a/src/USER-OMP/pair_buck_coul_msm_omp.cpp
+++ b/src/USER-OMP/pair_buck_coul_msm_omp.cpp
@@ -56,7 +56,7 @@ void PairBuckCoulMSMOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_buck_long_coul_long_omp.cpp b/src/USER-OMP/pair_buck_long_coul_long_omp.cpp
index 20d380a464..d30e8949b3 100644
--- a/src/USER-OMP/pair_buck_long_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_buck_long_coul_long_omp.cpp
@@ -64,7 +64,7 @@ void PairBuckLongCoulLongOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (order6) {
       if (order1) {
@@ -328,7 +328,7 @@ void PairBuckLongCoulLongOMP::compute_inner()
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(0, 0, nall, 0, 0, thr);
+    ev_setup_thr(0, 0, nall, 0, 0, NULL, thr);
     eval_inner(ifrom, ito, thr);
     thr->timer(Timer::PAIR);
 
@@ -353,7 +353,7 @@ void PairBuckLongCoulLongOMP::compute_middle()
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(0, 0, nall, 0, 0, thr);
+    ev_setup_thr(0, 0, nall, 0, 0, NULL, thr);
     eval_middle(ifrom, ito, thr);
     thr->timer(Timer::PAIR);
 
@@ -383,7 +383,7 @@ void PairBuckLongCoulLongOMP::compute_outer(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (order6) {
       if (order1) {
diff --git a/src/USER-OMP/pair_buck_omp.cpp b/src/USER-OMP/pair_buck_omp.cpp
index 8d5c80513a..563133e1cd 100644
--- a/src/USER-OMP/pair_buck_omp.cpp
+++ b/src/USER-OMP/pair_buck_omp.cpp
@@ -51,7 +51,7 @@ void PairBuckOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_colloid_omp.cpp b/src/USER-OMP/pair_colloid_omp.cpp
index 64613cb31d..0fc4b1bdf2 100644
--- a/src/USER-OMP/pair_colloid_omp.cpp
+++ b/src/USER-OMP/pair_colloid_omp.cpp
@@ -54,7 +54,7 @@ void PairColloidOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_comb_omp.cpp b/src/USER-OMP/pair_comb_omp.cpp
index be641dd0b9..4b5f0ea6c7 100644
--- a/src/USER-OMP/pair_comb_omp.cpp
+++ b/src/USER-OMP/pair_comb_omp.cpp
@@ -60,7 +60,7 @@ void PairCombOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_coul_cut_omp.cpp b/src/USER-OMP/pair_coul_cut_omp.cpp
index 267beeecbd..ce858666cb 100644
--- a/src/USER-OMP/pair_coul_cut_omp.cpp
+++ b/src/USER-OMP/pair_coul_cut_omp.cpp
@@ -51,7 +51,7 @@ void PairCoulCutOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_coul_cut_soft_omp.cpp b/src/USER-OMP/pair_coul_cut_soft_omp.cpp
index 70997da62b..7b6ed22f0c 100644
--- a/src/USER-OMP/pair_coul_cut_soft_omp.cpp
+++ b/src/USER-OMP/pair_coul_cut_soft_omp.cpp
@@ -51,7 +51,7 @@ void PairCoulCutSoftOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_coul_debye_omp.cpp b/src/USER-OMP/pair_coul_debye_omp.cpp
index 4d3f92c495..270770ee5d 100644
--- a/src/USER-OMP/pair_coul_debye_omp.cpp
+++ b/src/USER-OMP/pair_coul_debye_omp.cpp
@@ -51,7 +51,7 @@ void PairCoulDebyeOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_coul_diel_omp.cpp b/src/USER-OMP/pair_coul_diel_omp.cpp
index f2bb6a46bf..67e09690de 100644
--- a/src/USER-OMP/pair_coul_diel_omp.cpp
+++ b/src/USER-OMP/pair_coul_diel_omp.cpp
@@ -51,7 +51,7 @@ void PairCoulDielOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_coul_dsf_omp.cpp b/src/USER-OMP/pair_coul_dsf_omp.cpp
index bd7f5cfed2..40e285e7c8 100644
--- a/src/USER-OMP/pair_coul_dsf_omp.cpp
+++ b/src/USER-OMP/pair_coul_dsf_omp.cpp
@@ -60,7 +60,7 @@ void PairCoulDSFOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_coul_long_omp.cpp b/src/USER-OMP/pair_coul_long_omp.cpp
index 1e3170c73c..b135ffa7e6 100644
--- a/src/USER-OMP/pair_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_coul_long_omp.cpp
@@ -60,7 +60,7 @@ void PairCoulLongOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_coul_long_soft_omp.cpp b/src/USER-OMP/pair_coul_long_soft_omp.cpp
index dd1fc1030d..891123b8b3 100644
--- a/src/USER-OMP/pair_coul_long_soft_omp.cpp
+++ b/src/USER-OMP/pair_coul_long_soft_omp.cpp
@@ -59,7 +59,7 @@ void PairCoulLongSoftOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_coul_msm_omp.cpp b/src/USER-OMP/pair_coul_msm_omp.cpp
index 9b50b86954..9417df7ac6 100644
--- a/src/USER-OMP/pair_coul_msm_omp.cpp
+++ b/src/USER-OMP/pair_coul_msm_omp.cpp
@@ -57,7 +57,7 @@ void PairCoulMSMOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_coul_wolf_omp.cpp b/src/USER-OMP/pair_coul_wolf_omp.cpp
index 92d5bd7b15..9163eff086 100644
--- a/src/USER-OMP/pair_coul_wolf_omp.cpp
+++ b/src/USER-OMP/pair_coul_wolf_omp.cpp
@@ -53,7 +53,7 @@ void PairCoulWolfOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_dpd_omp.cpp b/src/USER-OMP/pair_dpd_omp.cpp
index b7f3a7f4d4..7c265b2b7b 100644
--- a/src/USER-OMP/pair_dpd_omp.cpp
+++ b/src/USER-OMP/pair_dpd_omp.cpp
@@ -88,7 +88,7 @@ void PairDPDOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     // generate a random number generator instance for
     // all threads != 0. make sure we use unique seeds.
diff --git a/src/USER-OMP/pair_dpd_tstat_omp.cpp b/src/USER-OMP/pair_dpd_tstat_omp.cpp
index d7233a16c5..076e27a299 100644
--- a/src/USER-OMP/pair_dpd_tstat_omp.cpp
+++ b/src/USER-OMP/pair_dpd_tstat_omp.cpp
@@ -87,7 +87,7 @@ void PairDPDTstatOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     // generate a random number generator instance for
     // all threads != 0. make sure we use unique seeds.
diff --git a/src/USER-OMP/pair_eam_cd_omp.cpp b/src/USER-OMP/pair_eam_cd_omp.cpp
index 51b83f3bf5..1d945e06a8 100644
--- a/src/USER-OMP/pair_eam_cd_omp.cpp
+++ b/src/USER-OMP/pair_eam_cd_omp.cpp
@@ -85,7 +85,7 @@ void PairEAMCDOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (force->newton_pair)
       thr->init_cdeam(nall, rho, rhoB, D_values);
diff --git a/src/USER-OMP/pair_eam_omp.cpp b/src/USER-OMP/pair_eam_omp.cpp
index 99417f27da..899323a680 100644
--- a/src/USER-OMP/pair_eam_omp.cpp
+++ b/src/USER-OMP/pair_eam_omp.cpp
@@ -51,9 +51,11 @@ void PairEAMOMP::compute(int eflag, int vflag)
   if (atom->nmax > nmax) {
     memory->destroy(rho);
     memory->destroy(fp);
+    memory->destroy(numforce);
     nmax = atom->nmax;
     memory->create(rho,nthreads*nmax,"pair:rho");
     memory->create(fp,nmax,"pair:fp");
+    memory->create(numforce,nmax,"pair:numforce");
   }
 
 #if defined(_OPENMP)
@@ -65,7 +67,7 @@ void PairEAMOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (force->newton_pair)
       thr->init_eam(nall, rho);
@@ -232,6 +234,7 @@ void PairEAMOMP::eval(int iifrom, int iito, ThrData * const thr)
 
     jlist = firstneigh[i];
     jnum = numneigh[i];
+    numforce[i] = 0;
 
     for (jj = 0; jj < jnum; jj++) {
       j = jlist[jj];
@@ -243,6 +246,7 @@ void PairEAMOMP::eval(int iifrom, int iito, ThrData * const thr)
       rsq = delx*delx + dely*dely + delz*delz;
 
       if (rsq < cutforcesq) {
+        ++numforce[i];
         jtype = type[j];
         r = sqrt(rsq);
         p = r*rdr + 1.0;
diff --git a/src/USER-OMP/pair_edip_omp.cpp b/src/USER-OMP/pair_edip_omp.cpp
index 144d893c1c..d1fa4c1c7a 100644
--- a/src/USER-OMP/pair_edip_omp.cpp
+++ b/src/USER-OMP/pair_edip_omp.cpp
@@ -58,7 +58,7 @@ void PairEDIPOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_eim_omp.cpp b/src/USER-OMP/pair_eim_omp.cpp
index 2ecd6f8ec7..dd590b75e2 100644
--- a/src/USER-OMP/pair_eim_omp.cpp
+++ b/src/USER-OMP/pair_eim_omp.cpp
@@ -65,7 +65,7 @@ void PairEIMOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (force->newton_pair)
       thr->init_eim(nall, rho, fp);
diff --git a/src/USER-OMP/pair_gauss_cut_omp.cpp b/src/USER-OMP/pair_gauss_cut_omp.cpp
index 928312240b..e14a85fc95 100644
--- a/src/USER-OMP/pair_gauss_cut_omp.cpp
+++ b/src/USER-OMP/pair_gauss_cut_omp.cpp
@@ -51,7 +51,7 @@ void PairGaussCutOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_gauss_omp.cpp b/src/USER-OMP/pair_gauss_omp.cpp
index 159f1c3e31..de212c9213 100644
--- a/src/USER-OMP/pair_gauss_omp.cpp
+++ b/src/USER-OMP/pair_gauss_omp.cpp
@@ -53,7 +53,7 @@ void PairGaussOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_gayberne_omp.cpp b/src/USER-OMP/pair_gayberne_omp.cpp
index cfa05745ff..a58c16eafc 100644
--- a/src/USER-OMP/pair_gayberne_omp.cpp
+++ b/src/USER-OMP/pair_gayberne_omp.cpp
@@ -53,7 +53,7 @@ void PairGayBerneOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_gran_hertz_history_omp.cpp b/src/USER-OMP/pair_gran_hertz_history_omp.cpp
index 271c70e9b9..1e3d86a1a5 100644
--- a/src/USER-OMP/pair_gran_hertz_history_omp.cpp
+++ b/src/USER-OMP/pair_gran_hertz_history_omp.cpp
@@ -77,7 +77,7 @@ void PairGranHertzHistoryOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (shearupdate) {
diff --git a/src/USER-OMP/pair_gran_hooke_history_omp.cpp b/src/USER-OMP/pair_gran_hooke_history_omp.cpp
index 9a0e8aab76..d0e44cc430 100644
--- a/src/USER-OMP/pair_gran_hooke_history_omp.cpp
+++ b/src/USER-OMP/pair_gran_hooke_history_omp.cpp
@@ -78,7 +78,7 @@ void PairGranHookeHistoryOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (shearupdate) {
diff --git a/src/USER-OMP/pair_gran_hooke_omp.cpp b/src/USER-OMP/pair_gran_hooke_omp.cpp
index d226ceaa14..33296e22fa 100644
--- a/src/USER-OMP/pair_gran_hooke_omp.cpp
+++ b/src/USER-OMP/pair_gran_hooke_omp.cpp
@@ -73,7 +73,7 @@ void PairGranHookeOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag)
       if (force->newton_pair) eval<1,1>(ifrom, ito, thr);
diff --git a/src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp b/src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp
index ea56ff51b5..77cc60e437 100644
--- a/src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp
+++ b/src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp
@@ -82,7 +82,7 @@ void PairHbondDreidingLJOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp b/src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp
index 1cff2de3b2..47b2818be8 100644
--- a/src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp
+++ b/src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp
@@ -82,7 +82,7 @@ void PairHbondDreidingMorseOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj96_cut_omp.cpp b/src/USER-OMP/pair_lj96_cut_omp.cpp
index 9ba8e09a54..b48946b3f9 100644
--- a/src/USER-OMP/pair_lj96_cut_omp.cpp
+++ b/src/USER-OMP/pair_lj96_cut_omp.cpp
@@ -52,7 +52,7 @@ void PairLJ96CutOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.cpp b/src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.cpp
index 3dc9b77c0f..10a253de6c 100644
--- a/src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.cpp
+++ b/src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.cpp
@@ -51,7 +51,7 @@ void PairLJCharmmCoulCharmmImplicitOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_charmm_coul_charmm_omp.cpp b/src/USER-OMP/pair_lj_charmm_coul_charmm_omp.cpp
index f9230996f0..c4c5a9650e 100644
--- a/src/USER-OMP/pair_lj_charmm_coul_charmm_omp.cpp
+++ b/src/USER-OMP/pair_lj_charmm_coul_charmm_omp.cpp
@@ -51,7 +51,7 @@ void PairLJCharmmCoulCharmmOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp b/src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp
index 4bdaa3519f..949ea3ded7 100644
--- a/src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp
@@ -52,7 +52,7 @@ void PairLJCharmmCoulLongOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_charmm_coul_long_soft_omp.cpp b/src/USER-OMP/pair_lj_charmm_coul_long_soft_omp.cpp
index 1f6daf052c..2a41b0690b 100644
--- a/src/USER-OMP/pair_lj_charmm_coul_long_soft_omp.cpp
+++ b/src/USER-OMP/pair_lj_charmm_coul_long_soft_omp.cpp
@@ -52,7 +52,7 @@ void PairLJCharmmCoulLongSoftOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_charmm_coul_msm_omp.cpp b/src/USER-OMP/pair_lj_charmm_coul_msm_omp.cpp
index eab62d919e..cecd27bfdc 100644
--- a/src/USER-OMP/pair_lj_charmm_coul_msm_omp.cpp
+++ b/src/USER-OMP/pair_lj_charmm_coul_msm_omp.cpp
@@ -57,7 +57,7 @@ void PairLJCharmmCoulMSMOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp b/src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp
index b9ffad134b..9e4dc08fd5 100644
--- a/src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp
+++ b/src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp
@@ -51,7 +51,7 @@ void PairLJClass2CoulCutOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_class2_coul_long_omp.cpp b/src/USER-OMP/pair_lj_class2_coul_long_omp.cpp
index e5995363ad..4fd371e2eb 100644
--- a/src/USER-OMP/pair_lj_class2_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_lj_class2_coul_long_omp.cpp
@@ -59,7 +59,7 @@ void PairLJClass2CoulLongOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_class2_omp.cpp b/src/USER-OMP/pair_lj_class2_omp.cpp
index 67715572ae..fa9b6ae703 100644
--- a/src/USER-OMP/pair_lj_class2_omp.cpp
+++ b/src/USER-OMP/pair_lj_class2_omp.cpp
@@ -51,7 +51,7 @@ void PairLJClass2OMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_cubic_omp.cpp b/src/USER-OMP/pair_lj_cubic_omp.cpp
index 5fa4f92f45..3fe6fab5de 100644
--- a/src/USER-OMP/pair_lj_cubic_omp.cpp
+++ b/src/USER-OMP/pair_lj_cubic_omp.cpp
@@ -52,7 +52,7 @@ void PairLJCubicOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp
index 69cc2d3042..6c0a3706f7 100644
--- a/src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp
@@ -51,7 +51,7 @@ void PairLJCutCoulCutOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_cut_coul_cut_soft_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_cut_soft_omp.cpp
index 5dfa414bd4..742565d19c 100644
--- a/src/USER-OMP/pair_lj_cut_coul_cut_soft_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_coul_cut_soft_omp.cpp
@@ -51,7 +51,7 @@ void PairLJCutCoulCutSoftOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp
index 4644e565a7..413758cc4a 100644
--- a/src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp
@@ -51,7 +51,7 @@ void PairLJCutCoulDebyeOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_cut_coul_dsf_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_dsf_omp.cpp
index 13d877ec07..3295ede132 100644
--- a/src/USER-OMP/pair_lj_cut_coul_dsf_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_coul_dsf_omp.cpp
@@ -61,7 +61,7 @@ void PairLJCutCoulDSFOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_cut_coul_long_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_long_omp.cpp
index d4fe5fd2a7..d32ec58607 100644
--- a/src/USER-OMP/pair_lj_cut_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_coul_long_omp.cpp
@@ -60,7 +60,7 @@ void PairLJCutCoulLongOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_cut_coul_long_soft_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_long_soft_omp.cpp
index 4a0ef73f60..d1f97941f5 100644
--- a/src/USER-OMP/pair_lj_cut_coul_long_soft_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_coul_long_soft_omp.cpp
@@ -60,7 +60,7 @@ void PairLJCutCoulLongSoftOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_cut_coul_msm_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_msm_omp.cpp
index 4c34b73622..9c48e03a13 100644
--- a/src/USER-OMP/pair_lj_cut_coul_msm_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_coul_msm_omp.cpp
@@ -57,7 +57,7 @@ void PairLJCutCoulMSMOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_cut_coul_wolf_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_wolf_omp.cpp
index 052be0a2fa..09403b893c 100644
--- a/src/USER-OMP/pair_lj_cut_coul_wolf_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_coul_wolf_omp.cpp
@@ -53,7 +53,7 @@ void PairLJCutCoulWolfOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_cut_dipole_cut_omp.cpp b/src/USER-OMP/pair_lj_cut_dipole_cut_omp.cpp
index 55359db3be..c259b006c5 100644
--- a/src/USER-OMP/pair_lj_cut_dipole_cut_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_dipole_cut_omp.cpp
@@ -51,7 +51,7 @@ void PairLJCutDipoleCutOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_cut_omp.cpp b/src/USER-OMP/pair_lj_cut_omp.cpp
index 34068185d2..f8670b7c28 100644
--- a/src/USER-OMP/pair_lj_cut_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_omp.cpp
@@ -52,7 +52,7 @@ void PairLJCutOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_cut_soft_omp.cpp b/src/USER-OMP/pair_lj_cut_soft_omp.cpp
index 9bbe58146c..988af13938 100644
--- a/src/USER-OMP/pair_lj_cut_soft_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_soft_omp.cpp
@@ -52,7 +52,7 @@ void PairLJCutSoftOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_cut_thole_long_omp.cpp b/src/USER-OMP/pair_lj_cut_thole_long_omp.cpp
index 87d637e80d..63c5d9601a 100644
--- a/src/USER-OMP/pair_lj_cut_thole_long_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_thole_long_omp.cpp
@@ -74,7 +74,7 @@ void PairLJCutTholeLongOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_cut_tip4p_cut_omp.cpp b/src/USER-OMP/pair_lj_cut_tip4p_cut_omp.cpp
index 288724cd77..40cfcb6bc2 100644
--- a/src/USER-OMP/pair_lj_cut_tip4p_cut_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_tip4p_cut_omp.cpp
@@ -101,7 +101,7 @@ void PairLJCutTIP4PCutOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_cut_tip4p_long_omp.cpp b/src/USER-OMP/pair_lj_cut_tip4p_long_omp.cpp
index 18fc207015..d51382c0f1 100644
--- a/src/USER-OMP/pair_lj_cut_tip4p_long_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_tip4p_long_omp.cpp
@@ -101,7 +101,7 @@ void PairLJCutTIP4PLongOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
   if (ncoultablebits) {
     if (evflag) {
@@ -145,7 +145,7 @@ void PairLJCutTIP4PLongOMP::eval(int iifrom, int iito, ThrData * const thr)
   dbl3_t x1,x2,xH1,xH2;
 
   int *ilist,*jlist,*numneigh,**firstneigh;
-  int i,j,ii,jj,jnum,itype,jtype,itable, key;
+  int i,j,ii,jj,jnum,itype,jtype,itable, key=0;
   int n,vlist[6];
   int iH1,iH2,jH1,jH2;
 
diff --git a/src/USER-OMP/pair_lj_cut_tip4p_long_soft_omp.cpp b/src/USER-OMP/pair_lj_cut_tip4p_long_soft_omp.cpp
index 6baba8aec4..350bea884d 100644
--- a/src/USER-OMP/pair_lj_cut_tip4p_long_soft_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_tip4p_long_soft_omp.cpp
@@ -101,7 +101,7 @@ void PairLJCutTIP4PLongSoftOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_expand_omp.cpp b/src/USER-OMP/pair_lj_expand_omp.cpp
index 6c6ddb045e..d3d1da263c 100644
--- a/src/USER-OMP/pair_lj_expand_omp.cpp
+++ b/src/USER-OMP/pair_lj_expand_omp.cpp
@@ -51,7 +51,7 @@ void PairLJExpandOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp b/src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp
index 77c5bc0da0..2fe7c39afe 100644
--- a/src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp
+++ b/src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp
@@ -51,7 +51,7 @@ void PairLJGromacsCoulGromacsOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_gromacs_omp.cpp b/src/USER-OMP/pair_lj_gromacs_omp.cpp
index 15bcb08eed..4a4e68ec6e 100644
--- a/src/USER-OMP/pair_lj_gromacs_omp.cpp
+++ b/src/USER-OMP/pair_lj_gromacs_omp.cpp
@@ -51,7 +51,7 @@ void PairLJGromacsOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_long_coul_long_omp.cpp b/src/USER-OMP/pair_lj_long_coul_long_omp.cpp
index c9edc087b6..7286771c26 100644
--- a/src/USER-OMP/pair_lj_long_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_lj_long_coul_long_omp.cpp
@@ -64,7 +64,7 @@ void PairLJLongCoulLongOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (order6) {
       if (order1) {
@@ -326,7 +326,7 @@ void PairLJLongCoulLongOMP::compute_inner()
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(0, 0, nall, 0, 0, thr);
+    ev_setup_thr(0, 0, nall, 0, 0, NULL, thr);
     eval_inner(ifrom, ito, thr);
     thr->timer(Timer::PAIR);
 
@@ -351,7 +351,7 @@ void PairLJLongCoulLongOMP::compute_middle()
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(0, 0, nall, 0, 0, thr);
+    ev_setup_thr(0, 0, nall, 0, 0, NULL, thr);
     eval_middle(ifrom, ito, thr);
     thr->timer(Timer::PAIR);
 
@@ -381,7 +381,7 @@ void PairLJLongCoulLongOMP::compute_outer(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (order6) {
       if (order1) {
diff --git a/src/USER-OMP/pair_lj_long_tip4p_long_omp.cpp b/src/USER-OMP/pair_lj_long_tip4p_long_omp.cpp
index 6d7c5b5638..7735d6fde4 100644
--- a/src/USER-OMP/pair_lj_long_tip4p_long_omp.cpp
+++ b/src/USER-OMP/pair_lj_long_tip4p_long_omp.cpp
@@ -104,7 +104,7 @@ void PairLJLongTIP4PLongOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (order6) {
       if (order1) {
@@ -387,7 +387,7 @@ void PairLJLongTIP4PLongOMP::compute_inner()
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(0, 0, nall, 0, 0, thr);
+    ev_setup_thr(0, 0, nall, 0, 0, NULL, thr);
     eval_inner(ifrom, ito, thr);
     thr->timer(Timer::PAIR);
 
@@ -412,7 +412,7 @@ void PairLJLongTIP4PLongOMP::compute_middle()
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(0, 0, nall, 0, 0, thr);
+    ev_setup_thr(0, 0, nall, 0, 0, NULL, thr);
     eval_middle(ifrom, ito, thr);
     thr->timer(Timer::PAIR);
 
@@ -466,7 +466,7 @@ void PairLJLongTIP4PLongOMP::compute_outer(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (order6) {
       if (order1) {
diff --git a/src/USER-OMP/pair_lj_sdk_coul_long_omp.cpp b/src/USER-OMP/pair_lj_sdk_coul_long_omp.cpp
index 16c87d5ed4..15fea32f53 100644
--- a/src/USER-OMP/pair_lj_sdk_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_lj_sdk_coul_long_omp.cpp
@@ -53,7 +53,7 @@ void PairLJSDKCoulLongOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_sdk_coul_msm_omp.cpp b/src/USER-OMP/pair_lj_sdk_coul_msm_omp.cpp
index 1002cc193e..3326034da8 100644
--- a/src/USER-OMP/pair_lj_sdk_coul_msm_omp.cpp
+++ b/src/USER-OMP/pair_lj_sdk_coul_msm_omp.cpp
@@ -59,7 +59,7 @@ void PairLJSDKCoulMSMOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_sdk_omp.cpp b/src/USER-OMP/pair_lj_sdk_omp.cpp
index 1e64973cbb..9ba90a2937 100644
--- a/src/USER-OMP/pair_lj_sdk_omp.cpp
+++ b/src/USER-OMP/pair_lj_sdk_omp.cpp
@@ -55,7 +55,7 @@ void PairLJSDKOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_sf_dipole_sf_omp.cpp b/src/USER-OMP/pair_lj_sf_dipole_sf_omp.cpp
index aea22fc4df..ca08f817dc 100644
--- a/src/USER-OMP/pair_lj_sf_dipole_sf_omp.cpp
+++ b/src/USER-OMP/pair_lj_sf_dipole_sf_omp.cpp
@@ -51,7 +51,7 @@ void PairLJSFDipoleSFOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_smooth_linear_omp.cpp b/src/USER-OMP/pair_lj_smooth_linear_omp.cpp
index 420c55b0ed..0b29a8fc30 100644
--- a/src/USER-OMP/pair_lj_smooth_linear_omp.cpp
+++ b/src/USER-OMP/pair_lj_smooth_linear_omp.cpp
@@ -51,7 +51,7 @@ void PairLJSmoothLinearOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lj_smooth_omp.cpp b/src/USER-OMP/pair_lj_smooth_omp.cpp
index d61dc19ff1..fe3d64cbf6 100644
--- a/src/USER-OMP/pair_lj_smooth_omp.cpp
+++ b/src/USER-OMP/pair_lj_smooth_omp.cpp
@@ -51,7 +51,7 @@ void PairLJSmoothOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_lubricate_omp.cpp b/src/USER-OMP/pair_lubricate_omp.cpp
index 132dbc575e..dc6be0b96a 100644
--- a/src/USER-OMP/pair_lubricate_omp.cpp
+++ b/src/USER-OMP/pair_lubricate_omp.cpp
@@ -117,7 +117,7 @@ void PairLubricateOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (flaglog) {
       if (evflag) {
diff --git a/src/USER-OMP/pair_lubricate_poly_omp.cpp b/src/USER-OMP/pair_lubricate_poly_omp.cpp
index 04ac59b121..648b10b114 100644
--- a/src/USER-OMP/pair_lubricate_poly_omp.cpp
+++ b/src/USER-OMP/pair_lubricate_poly_omp.cpp
@@ -114,7 +114,7 @@ void PairLubricatePolyOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (flaglog) {
       if (shearing) {
diff --git a/src/USER-OMP/pair_meam_spline_omp.cpp b/src/USER-OMP/pair_meam_spline_omp.cpp
index e9307c8666..f4aff69881 100644
--- a/src/USER-OMP/pair_meam_spline_omp.cpp
+++ b/src/USER-OMP/pair_meam_spline_omp.cpp
@@ -65,7 +65,7 @@ void PairMEAMSplineOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     thr->init_eam(nall,Uprime_values);
 
diff --git a/src/USER-OMP/pair_morse_omp.cpp b/src/USER-OMP/pair_morse_omp.cpp
index bf57019f11..c77196d1c5 100644
--- a/src/USER-OMP/pair_morse_omp.cpp
+++ b/src/USER-OMP/pair_morse_omp.cpp
@@ -51,7 +51,7 @@ void PairMorseOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_morse_smooth_linear_omp.cpp b/src/USER-OMP/pair_morse_smooth_linear_omp.cpp
index 5ba6acb439..e30a774bf2 100644
--- a/src/USER-OMP/pair_morse_smooth_linear_omp.cpp
+++ b/src/USER-OMP/pair_morse_smooth_linear_omp.cpp
@@ -55,7 +55,7 @@ void PairMorseSmoothLinearOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_nm_cut_coul_cut_omp.cpp b/src/USER-OMP/pair_nm_cut_coul_cut_omp.cpp
index d62b4e5c62..7ffd189a5b 100644
--- a/src/USER-OMP/pair_nm_cut_coul_cut_omp.cpp
+++ b/src/USER-OMP/pair_nm_cut_coul_cut_omp.cpp
@@ -51,7 +51,7 @@ void PairNMCutCoulCutOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_nm_cut_coul_long_omp.cpp b/src/USER-OMP/pair_nm_cut_coul_long_omp.cpp
index a8696c74a1..0a0a861b6f 100644
--- a/src/USER-OMP/pair_nm_cut_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_nm_cut_coul_long_omp.cpp
@@ -59,7 +59,7 @@ void PairNMCutCoulLongOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_nm_cut_omp.cpp b/src/USER-OMP/pair_nm_cut_omp.cpp
index 9304b10ef0..cb74eed3f1 100644
--- a/src/USER-OMP/pair_nm_cut_omp.cpp
+++ b/src/USER-OMP/pair_nm_cut_omp.cpp
@@ -51,7 +51,7 @@ void PairNMCutOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_peri_lps_omp.cpp b/src/USER-OMP/pair_peri_lps_omp.cpp
index 61db45363e..3ea41321a7 100644
--- a/src/USER-OMP/pair_peri_lps_omp.cpp
+++ b/src/USER-OMP/pair_peri_lps_omp.cpp
@@ -70,7 +70,7 @@ void PairPeriLPSOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_peri_pmb_omp.cpp b/src/USER-OMP/pair_peri_pmb_omp.cpp
index b1816e4052..95e50df50d 100644
--- a/src/USER-OMP/pair_peri_pmb_omp.cpp
+++ b/src/USER-OMP/pair_peri_pmb_omp.cpp
@@ -66,7 +66,7 @@ void PairPeriPMBOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_reaxc_omp.h b/src/USER-OMP/pair_reaxc_omp.h
index 0cae28f56b..38994c5264 100644
--- a/src/USER-OMP/pair_reaxc_omp.h
+++ b/src/USER-OMP/pair_reaxc_omp.h
@@ -37,8 +37,10 @@ class PairReaxCOMP : public PairReaxC, public ThrOMP {
   };
 
   inline void ev_setup_thr_proxy(int eflagparm, int vflagparm, int nallparm,
-                                 double *eatomparm, double **vatomparm, ThrData *thrparm) {
-    ev_setup_thr(eflagparm, vflagparm, nallparm, eatomparm, vatomparm, thrparm);
+                                 double *eatomparm, double **vatomparm,
+                                 double **cvatomparm, ThrData *thrparm) {
+    ev_setup_thr(eflagparm, vflagparm, nallparm, eatomparm, vatomparm,
+                 cvatomparm, thrparm);
   };
 
   // reduce per thread data as needed
diff --git a/src/USER-OMP/pair_resquared_omp.cpp b/src/USER-OMP/pair_resquared_omp.cpp
index d9e0059a9f..65f1c7289f 100644
--- a/src/USER-OMP/pair_resquared_omp.cpp
+++ b/src/USER-OMP/pair_resquared_omp.cpp
@@ -53,7 +53,7 @@ void PairRESquaredOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_soft_omp.cpp b/src/USER-OMP/pair_soft_omp.cpp
index eb151bc0df..7de94a2cd1 100644
--- a/src/USER-OMP/pair_soft_omp.cpp
+++ b/src/USER-OMP/pair_soft_omp.cpp
@@ -55,7 +55,7 @@ void PairSoftOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_sw_omp.cpp b/src/USER-OMP/pair_sw_omp.cpp
index 745b3a1f04..9812cf06ba 100644
--- a/src/USER-OMP/pair_sw_omp.cpp
+++ b/src/USER-OMP/pair_sw_omp.cpp
@@ -52,7 +52,7 @@ void PairSWOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_table_omp.cpp b/src/USER-OMP/pair_table_omp.cpp
index b55817e75c..bf18d53d2e 100644
--- a/src/USER-OMP/pair_table_omp.cpp
+++ b/src/USER-OMP/pair_table_omp.cpp
@@ -52,7 +52,7 @@ void PairTableOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_tersoff_mod_c_omp.cpp b/src/USER-OMP/pair_tersoff_mod_c_omp.cpp
index a11bd87640..6b6b130c65 100644
--- a/src/USER-OMP/pair_tersoff_mod_c_omp.cpp
+++ b/src/USER-OMP/pair_tersoff_mod_c_omp.cpp
@@ -51,7 +51,7 @@ void PairTersoffMODCOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_tersoff_mod_omp.cpp b/src/USER-OMP/pair_tersoff_mod_omp.cpp
index da22110c1c..634676ee49 100644
--- a/src/USER-OMP/pair_tersoff_mod_omp.cpp
+++ b/src/USER-OMP/pair_tersoff_mod_omp.cpp
@@ -51,7 +51,7 @@ void PairTersoffMODOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_tersoff_omp.cpp b/src/USER-OMP/pair_tersoff_omp.cpp
index 661f15d64d..9735ccaa1f 100644
--- a/src/USER-OMP/pair_tersoff_omp.cpp
+++ b/src/USER-OMP/pair_tersoff_omp.cpp
@@ -52,7 +52,7 @@ void PairTersoffOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_tersoff_table_omp.cpp b/src/USER-OMP/pair_tersoff_table_omp.cpp
index 7e83814f95..fa9512bf71 100644
--- a/src/USER-OMP/pair_tersoff_table_omp.cpp
+++ b/src/USER-OMP/pair_tersoff_table_omp.cpp
@@ -76,7 +76,7 @@ void PairTersoffTableOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag)
       if (vflag_atom) eval<1,1>(ifrom, ito, thr);
diff --git a/src/USER-OMP/pair_tip4p_cut_omp.cpp b/src/USER-OMP/pair_tip4p_cut_omp.cpp
index 1900ed4394..c8584b4fe3 100644
--- a/src/USER-OMP/pair_tip4p_cut_omp.cpp
+++ b/src/USER-OMP/pair_tip4p_cut_omp.cpp
@@ -100,7 +100,7 @@ void PairTIP4PCutOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_tip4p_long_omp.cpp b/src/USER-OMP/pair_tip4p_long_omp.cpp
index ee65937c46..89c3c17684 100644
--- a/src/USER-OMP/pair_tip4p_long_omp.cpp
+++ b/src/USER-OMP/pair_tip4p_long_omp.cpp
@@ -101,7 +101,7 @@ void PairTIP4PLongOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
   if (!ncoultablebits) {
     if (evflag) {
diff --git a/src/USER-OMP/pair_tip4p_long_soft_omp.cpp b/src/USER-OMP/pair_tip4p_long_soft_omp.cpp
index adb984a2cd..88da3d02a8 100644
--- a/src/USER-OMP/pair_tip4p_long_soft_omp.cpp
+++ b/src/USER-OMP/pair_tip4p_long_soft_omp.cpp
@@ -101,7 +101,7 @@ void PairTIP4PLongSoftOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_ufm_omp.cpp b/src/USER-OMP/pair_ufm_omp.cpp
index 08d8cc15f9..23e76186c0 100644
--- a/src/USER-OMP/pair_ufm_omp.cpp
+++ b/src/USER-OMP/pair_ufm_omp.cpp
@@ -53,7 +53,7 @@ void PairUFMOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_vashishta_omp.cpp b/src/USER-OMP/pair_vashishta_omp.cpp
index 28104013f0..a218ddf3ed 100644
--- a/src/USER-OMP/pair_vashishta_omp.cpp
+++ b/src/USER-OMP/pair_vashishta_omp.cpp
@@ -52,7 +52,7 @@ void PairVashishtaOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_vashishta_table_omp.cpp b/src/USER-OMP/pair_vashishta_table_omp.cpp
index b044902ebe..0986128bf6 100644
--- a/src/USER-OMP/pair_vashishta_table_omp.cpp
+++ b/src/USER-OMP/pair_vashishta_table_omp.cpp
@@ -52,7 +52,7 @@ void PairVashishtaTableOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_yukawa_colloid_omp.cpp b/src/USER-OMP/pair_yukawa_colloid_omp.cpp
index 86314ce7b8..9b8428c648 100644
--- a/src/USER-OMP/pair_yukawa_colloid_omp.cpp
+++ b/src/USER-OMP/pair_yukawa_colloid_omp.cpp
@@ -51,7 +51,7 @@ void PairYukawaColloidOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_yukawa_omp.cpp b/src/USER-OMP/pair_yukawa_omp.cpp
index add81e9b04..20d557e605 100644
--- a/src/USER-OMP/pair_yukawa_omp.cpp
+++ b/src/USER-OMP/pair_yukawa_omp.cpp
@@ -51,7 +51,7 @@ void PairYukawaOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/pair_zbl_omp.cpp b/src/USER-OMP/pair_zbl_omp.cpp
index f6856c4fa0..3a300ce477 100644
--- a/src/USER-OMP/pair_zbl_omp.cpp
+++ b/src/USER-OMP/pair_zbl_omp.cpp
@@ -52,7 +52,7 @@ void PairZBLOMP::compute(int eflag, int vflag)
     loop_setup_thr(ifrom, ito, tid, inum, nthreads);
     ThrData *thr = fix->get_thr(tid);
     thr->timer(Timer::START);
-    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
+    ev_setup_thr(eflag, vflag, nall, eatom, vatom, NULL, thr);
 
     if (evflag) {
       if (eflag) {
diff --git a/src/USER-OMP/reaxc_bonds_omp.cpp b/src/USER-OMP/reaxc_bonds_omp.cpp
index b6a76b3f3a..80e9b90ecc 100644
--- a/src/USER-OMP/reaxc_bonds_omp.cpp
+++ b/src/USER-OMP/reaxc_bonds_omp.cpp
@@ -87,7 +87,8 @@ void BondsOMP( reax_system *system, control_params * /* control */,
 
   pair_reax_ptr->ev_setup_thr_proxy(system->pair_ptr->eflag_either,
                                     system->pair_ptr->vflag_either, system->N,
-                                    system->pair_ptr->eatom, system->pair_ptr->vatom, thr);
+                                    system->pair_ptr->eatom,
+                                    system->pair_ptr->vatom, NULL, thr);
 
 #if defined(_OPENMP)
 #pragma omp for schedule(guided)
diff --git a/src/USER-OMP/reaxc_forces_omp.cpp b/src/USER-OMP/reaxc_forces_omp.cpp
index 2ebfcea1e0..e48a5c11d4 100644
--- a/src/USER-OMP/reaxc_forces_omp.cpp
+++ b/src/USER-OMP/reaxc_forces_omp.cpp
@@ -162,7 +162,7 @@ void Compute_Total_ForceOMP( reax_system *system, control_params *control,
     class ThrData *thr = pair_reax_ptr->getFixOMP()->get_thr(tid);
 
     pair_reax_ptr->ev_setup_thr_proxy(0, 1, natoms, system->pair_ptr->eatom,
-                                      system->pair_ptr->vatom, thr);
+                                      system->pair_ptr->vatom, NULL, thr);
 
 #if defined(_OPENMP)
 #pragma omp for schedule(guided)
diff --git a/src/USER-OMP/thr_data.h b/src/USER-OMP/thr_data.h
index 68673e7503..2c1e42a3a3 100644
--- a/src/USER-OMP/thr_data.h
+++ b/src/USER-OMP/thr_data.h
@@ -97,6 +97,10 @@ class ThrData {
   double **vatom_dihed;
   double **vatom_imprp;
   double **vatom_kspce;
+  double **cvatom_pair;
+  double **cvatom_angle;
+  double **cvatom_dihed;
+  double **cvatom_imprp;
 
   // per thread segments of various force or similar arrays
 
diff --git a/src/USER-OMP/thr_omp.cpp b/src/USER-OMP/thr_omp.cpp
index 51030358d3..c086f6d6b5 100644
--- a/src/USER-OMP/thr_omp.cpp
+++ b/src/USER-OMP/thr_omp.cpp
@@ -64,7 +64,7 @@ ThrOMP::~ThrOMP()
    ---------------------------------------------------------------------- */
 
 void ThrOMP::ev_setup_thr(int eflag, int vflag, int nall, double *eatom,
-                          double **vatom, ThrData *thr)
+                          double **vatom, double **cvatom, ThrData *thr)
 {
   const int tid = thr->get_tid();
   if (tid == 0) thr_error = 0;
@@ -75,11 +75,22 @@ void ThrOMP::ev_setup_thr(int eflag, int vflag, int nall, double *eatom,
       if (nall > 0)
         memset(&(thr->eatom_pair[0]),0,nall*sizeof(double));
     }
-    if (vflag & 4) {
+    // per-atom virial and per-atom centroid virial are the same for two-body
+    // many-body pair styles not yet implemented
+    if (vflag & 12) {
       thr->vatom_pair = vatom + tid*nall;
       if (nall > 0)
         memset(&(thr->vatom_pair[0][0]),0,nall*6*sizeof(double));
     }
+    // check cvatom_pair, because can't access centroidstressflag
+    if ((vflag & 8) && cvatom) {
+      thr->cvatom_pair = cvatom + tid*nall;
+      if (nall > 0)
+        memset(&(thr->cvatom_pair[0][0]),0,nall*9*sizeof(double));
+    } else {
+      thr->cvatom_pair = NULL;
+    }
+
   }
 
   if (thr_style & THR_BOND) {
@@ -88,7 +99,8 @@ void ThrOMP::ev_setup_thr(int eflag, int vflag, int nall, double *eatom,
       if (nall > 0)
         memset(&(thr->eatom_bond[0]),0,nall*sizeof(double));
     }
-    if (vflag & 4) {
+    // per-atom virial and per-atom centroid virial are the same for bonds
+    if (vflag & 12) {
       thr->vatom_bond = vatom + tid*nall;
       if (nall > 0)
         memset(&(thr->vatom_bond[0][0]),0,nall*6*sizeof(double));
@@ -106,6 +118,11 @@ void ThrOMP::ev_setup_thr(int eflag, int vflag, int nall, double *eatom,
       if (nall > 0)
         memset(&(thr->vatom_angle[0][0]),0,nall*6*sizeof(double));
     }
+    if (vflag & 8) {
+      thr->cvatom_angle = cvatom + tid*nall;
+      if (nall > 0)
+        memset(&(thr->cvatom_angle[0][0]),0,nall*9*sizeof(double));
+    }
   }
 
   if (thr_style & THR_DIHEDRAL) {
@@ -119,6 +136,11 @@ void ThrOMP::ev_setup_thr(int eflag, int vflag, int nall, double *eatom,
       if (nall > 0)
         memset(&(thr->vatom_dihed[0][0]),0,nall*6*sizeof(double));
     }
+    if (vflag & 8) {
+      thr->cvatom_dihed = cvatom + tid*nall;
+      if (nall > 0)
+        memset(&(thr->cvatom_dihed[0][0]),0,nall*9*sizeof(double));
+    }
   }
 
   if (thr_style & THR_IMPROPER) {
@@ -132,6 +154,11 @@ void ThrOMP::ev_setup_thr(int eflag, int vflag, int nall, double *eatom,
       if (nall > 0)
         memset(&(thr->vatom_imprp[0][0]),0,nall*6*sizeof(double));
     }
+    if (vflag & 8) {
+      thr->cvatom_imprp = cvatom + tid*nall;
+      if (nall > 0)
+        memset(&(thr->cvatom_imprp[0][0]),0,nall*9*sizeof(double));
+    }
   }
 
   // nothing to do for THR_KSPACE
@@ -211,9 +238,15 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag,
       if (eflag & 2) {
         data_reduce_thr(&(pair->eatom[0]), nall, nthreads, 1, tid);
       }
-      if (vflag & 4) {
+      // per-atom virial and per-atom centroid virial are the same for two-body
+      // many-body pair styles not yet implemented
+      if (vflag & 12) {
         data_reduce_thr(&(pair->vatom[0][0]), nall, nthreads, 6, tid);
       }
+      // check cvatom_pair, because can't access centroidstressflag
+      if ((vflag & 8) && thr->cvatom_pair) {
+        data_reduce_thr(&(pair->cvatom[0][0]), nall, nthreads, 9, tid);
+      }
     }
   }
     break;
@@ -242,7 +275,8 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag,
       if (eflag & 2) {
         data_reduce_thr(&(bond->eatom[0]), nall, nthreads, 1, tid);
       }
-      if (vflag & 4) {
+      // per-atom virial and per-atom centroid virial are the same for bonds
+      if (vflag & 12) {
         data_reduce_thr(&(bond->vatom[0][0]), nall, nthreads, 6, tid);
       }
 
@@ -276,6 +310,9 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag,
       if (vflag & 4) {
         data_reduce_thr(&(angle->vatom[0][0]), nall, nthreads, 6, tid);
       }
+      if (vflag & 8) {
+        data_reduce_thr(&(angle->cvatom[0][0]), nall, nthreads, 9, tid);
+      }
 
     }
     break;
@@ -307,6 +344,9 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag,
       if (vflag & 4) {
         data_reduce_thr(&(dihedral->vatom[0][0]), nall, nthreads, 6, tid);
       }
+      if (vflag & 8) {
+        data_reduce_thr(&(dihedral->cvatom[0][0]), nall, nthreads, 9, tid);
+      }
 
     }
     break;
@@ -345,8 +385,19 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag,
       }
       if (vflag & 4) {
         data_reduce_thr(&(dihedral->vatom[0][0]), nall, nthreads, 6, tid);
+      }
+      if (vflag & 8) {
+        data_reduce_thr(&(dihedral->cvatom[0][0]), nall, nthreads, 9, tid);
+      }
+      // per-atom virial and per-atom centroid virial are the same for two-body
+      // many-body pair styles not yet implemented
+      if (vflag & 12) {
         data_reduce_thr(&(pair->vatom[0][0]), nall, nthreads, 6, tid);
       }
+      // check cvatom_pair, because can't access centroidstressflag
+      if ((vflag & 8) && thr->cvatom_pair) {
+        data_reduce_thr(&(pair->cvatom[0][0]), nall, nthreads, 9, tid);
+      }
     }
     break;
 
@@ -377,6 +428,9 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag,
       if (vflag & 4) {
         data_reduce_thr(&(improper->vatom[0][0]), nall, nthreads, 6, tid);
       }
+      if (vflag & 8) {
+        data_reduce_thr(&(improper->cvatom[0][0]), nall, nthreads, 9, tid);
+      }
 
     }
     break;
@@ -449,6 +503,19 @@ static void v_tally(double * const vout, const double * const vin)
   vout[5] += vin[5];
 }
 
+static void v_tally9(double * const vout, const double * const vin)
+{
+  vout[0] += vin[0];
+  vout[1] += vin[1];
+  vout[2] += vin[2];
+  vout[3] += vin[3];
+  vout[4] += vin[4];
+  vout[5] += vin[5];
+  vout[6] += vin[6];
+  vout[7] += vin[7];
+  vout[8] += vin[8];
+}
+
 static void v_tally(double * const vout, const double scale, const double * const vin)
 {
   vout[0] += scale*vin[0];
@@ -898,6 +965,77 @@ void ThrOMP::ev_tally_thr(Angle * const angle, const int i, const int j, const i
       }
     }
   }
+
+  // per-atom centroid virial
+  if (angle->cvflag_atom) {
+    double f2[3], v1[9], v2[9], v3[9];
+    double a1[3], a2[3], a3[3];
+
+    // r0 = (r1+r2+r3)/3
+    // rij = ri-rj
+    // total virial = r10*f1 + r20*f2 + r30*f3
+    // del1: r12
+    // del2: r32
+
+    // a1 = r10 = (2*r12 -   r32)/3
+    a1[0] = THIRD*(2*delx1-delx2);
+    a1[1] = THIRD*(2*dely1-dely2);
+    a1[2] = THIRD*(2*delz1-delz2);
+
+    // a2 = r20 = ( -r12 -   r32)/3
+    a2[0] = THIRD*(-delx1-delx2);
+    a2[1] = THIRD*(-dely1-dely2);
+    a2[2] = THIRD*(-delz1-delz2);
+
+    // a3 = r30 = ( -r12 + 2*r32)/3
+    a3[0] = THIRD*(-delx1+2*delx2);
+    a3[1] = THIRD*(-dely1+2*dely2);
+    a3[2] = THIRD*(-delz1+2*delz2);
+
+    f2[0] = - f1[0] - f3[0];
+    f2[1] = - f1[1] - f3[1];
+    f2[2] = - f1[2] - f3[2];
+
+    v1[0] = a1[0]*f1[0];
+    v1[1] = a1[1]*f1[1];
+    v1[2] = a1[2]*f1[2];
+    v1[3] = a1[0]*f1[1];
+    v1[4] = a1[0]*f1[2];
+    v1[5] = a1[1]*f1[2];
+    v1[6] = a1[1]*f1[0];
+    v1[7] = a1[2]*f1[0];
+    v1[8] = a1[2]*f1[1];
+
+    v2[0] = a2[0]*f2[0];
+    v2[1] = a2[1]*f2[1];
+    v2[2] = a2[2]*f2[2];
+    v2[3] = a2[0]*f2[1];
+    v2[4] = a2[0]*f2[2];
+    v2[5] = a2[1]*f2[2];
+    v2[6] = a2[1]*f2[0];
+    v2[7] = a2[2]*f2[0];
+    v2[8] = a2[2]*f2[1];
+
+    v3[0] = a3[0]*f3[0];
+    v3[1] = a3[1]*f3[1];
+    v3[2] = a3[2]*f3[2];
+    v3[3] = a3[0]*f3[1];
+    v3[4] = a3[0]*f3[2];
+    v3[5] = a3[1]*f3[2];
+    v3[6] = a3[1]*f3[0];
+    v3[7] = a3[2]*f3[0];
+    v3[8] = a3[2]*f3[1];
+
+    if (newton_bond) {
+      v_tally9(thr->cvatom_angle[i],v1);
+      v_tally9(thr->cvatom_angle[j],v2);
+      v_tally9(thr->cvatom_angle[k],v3);
+    } else {
+      if (i < nlocal) v_tally9(thr->cvatom_angle[i],v1);
+      if (j < nlocal) v_tally9(thr->cvatom_angle[j],v2);
+      if (k < nlocal) v_tally9(thr->cvatom_angle[k],v3);
+    }
+  }
 }
 
 /* ----------------------------------------------------------------------
@@ -1046,6 +1184,96 @@ void ThrOMP::ev_tally_thr(Dihedral * const dihed, const int i1, const int i2,
       }
     }
   }
+
+  // per-atom centroid virial
+  if (dihed->cvflag_atom) {
+    double f2[3], v1[9], v2[9], v3[9], v4[9];
+    double a1[3], a2[3], a3[3], a4[3];
+
+    // r0 = (r1+r2+r3+r4)/4
+    // rij = ri-rj
+    // total virial = r10*f1 + r20*f2 + r30*f3 + r40*f4
+    // vb1: r12
+    // vb2: r32
+    // vb3: r43
+
+    // a1 = r10 = (3*r12 - 2*r32 -   r43)/4
+    a1[0] = 0.25*(3*vb1x - 2*vb2x - vb3x);
+    a1[1] = 0.25*(3*vb1y - 2*vb2y - vb3y);
+    a1[2] = 0.25*(3*vb1z - 2*vb2z - vb3z);
+
+    // a2 = r20 = ( -r12 - 2*r32 -   r43)/4
+    a2[0] = 0.25*(-vb1x - 2*vb2x - vb3x);
+    a2[1] = 0.25*(-vb1y - 2*vb2y - vb3y);
+    a2[2] = 0.25*(-vb1z - 2*vb2z - vb3z);
+
+    // a3 = r30 = ( -r12 + 2*r32 -   r43)/4
+    a3[0] = 0.25*(-vb1x + 2*vb2x - vb3x);
+    a3[1] = 0.25*(-vb1y + 2*vb2y - vb3y);
+    a3[2] = 0.25*(-vb1z + 2*vb2z - vb3z);
+
+    // a4 = r40 = ( -r12 + 2*r32 + 3*r43)/4
+    a4[0] = 0.25*(-vb1x + 2*vb2x + 3*vb3x);
+    a4[1] = 0.25*(-vb1y + 2*vb2y + 3*vb3y);
+    a4[2] = 0.25*(-vb1z + 2*vb2z + 3*vb3z);
+
+    f2[0] = - f1[0] - f3[0] - f4[0];
+    f2[1] = - f1[1] - f3[1] - f4[1];
+    f2[2] = - f1[2] - f3[2] - f4[2];
+
+    v1[0] = a1[0]*f1[0];
+    v1[1] = a1[1]*f1[1];
+    v1[2] = a1[2]*f1[2];
+    v1[3] = a1[0]*f1[1];
+    v1[4] = a1[0]*f1[2];
+    v1[5] = a1[1]*f1[2];
+    v1[6] = a1[1]*f1[0];
+    v1[7] = a1[2]*f1[0];
+    v1[8] = a1[2]*f1[1];
+
+    v2[0] = a2[0]*f2[0];
+    v2[1] = a2[1]*f2[1];
+    v2[2] = a2[2]*f2[2];
+    v2[3] = a2[0]*f2[1];
+    v2[4] = a2[0]*f2[2];
+    v2[5] = a2[1]*f2[2];
+    v2[6] = a2[1]*f2[0];
+    v2[7] = a2[2]*f2[0];
+    v2[8] = a2[2]*f2[1];
+
+    v3[0] = a3[0]*f3[0];
+    v3[1] = a3[1]*f3[1];
+    v3[2] = a3[2]*f3[2];
+    v3[3] = a3[0]*f3[1];
+    v3[4] = a3[0]*f3[2];
+    v3[5] = a3[1]*f3[2];
+    v3[6] = a3[1]*f3[0];
+    v3[7] = a3[2]*f3[0];
+    v3[8] = a3[2]*f3[1];
+
+    v4[0] = a4[0]*f4[0];
+    v4[1] = a4[1]*f4[1];
+    v4[2] = a4[2]*f4[2];
+    v4[3] = a4[0]*f4[1];
+    v4[4] = a4[0]*f4[2];
+    v4[5] = a4[1]*f4[2];
+    v4[6] = a4[1]*f4[0];
+    v4[7] = a4[2]*f4[0];
+    v4[8] = a4[2]*f4[1];
+
+    if (newton_bond) {
+      v_tally9(thr->cvatom_dihed[i1],v1);
+      v_tally9(thr->cvatom_dihed[i2],v2);
+      v_tally9(thr->cvatom_dihed[i3],v3);
+      v_tally9(thr->cvatom_dihed[i4],v4);
+    } else {
+      if (i1 < nlocal) v_tally9(thr->cvatom_dihed[i1],v1);
+      if (i2 < nlocal) v_tally9(thr->cvatom_dihed[i2],v2);
+      if (i3 < nlocal) v_tally9(thr->cvatom_dihed[i3],v3);
+      if (i4 < nlocal) v_tally9(thr->cvatom_dihed[i4],v4);
+    }
+  }
+
 }
 
 /* ----------------------------------------------------------------------
@@ -1138,6 +1366,96 @@ void ThrOMP::ev_tally_thr(Improper * const imprp, const int i1, const int i2,
       }
     }
   }
+
+  // per-atom centroid virial
+  if (imprp->cvflag_atom) {
+    double f2[3], v1[9], v2[9], v3[9], v4[9];
+    double a1[3], a2[3], a3[3], a4[3];
+
+    // r0 = (r1+r2+r3+r4)/4
+    // rij = ri-rj
+    // total virial = r10*f1 + r20*f2 + r30*f3 + r40*f4
+    // vb1: r12
+    // vb2: r32
+    // vb3: r43
+
+    // a1 = r10 = (3*r12 - 2*r32 -   r43)/4
+    a1[0] = 0.25*(3*vb1x - 2*vb2x - vb3x);
+    a1[1] = 0.25*(3*vb1y - 2*vb2y - vb3y);
+    a1[2] = 0.25*(3*vb1z - 2*vb2z - vb3z);
+
+    // a2 = r20 = ( -r12 - 2*r32 -   r43)/4
+    a2[0] = 0.25*(-vb1x - 2*vb2x - vb3x);
+    a2[1] = 0.25*(-vb1y - 2*vb2y - vb3y);
+    a2[2] = 0.25*(-vb1z - 2*vb2z - vb3z);
+
+    // a3 = r30 = ( -r12 + 2*r32 -   r43)/4
+    a3[0] = 0.25*(-vb1x + 2*vb2x - vb3x);
+    a3[1] = 0.25*(-vb1y + 2*vb2y - vb3y);
+    a3[2] = 0.25*(-vb1z + 2*vb2z - vb3z);
+
+    // a4 = r40 = ( -r12 + 2*r32 + 3*r43)/4
+    a4[0] = 0.25*(-vb1x + 2*vb2x + 3*vb3x);
+    a4[1] = 0.25*(-vb1y + 2*vb2y + 3*vb3y);
+    a4[2] = 0.25*(-vb1z + 2*vb2z + 3*vb3z);
+
+    f2[0] = - f1[0] - f3[0] - f4[0];
+    f2[1] = - f1[1] - f3[1] - f4[1];
+    f2[2] = - f1[2] - f3[2] - f4[2];
+
+    v1[0] = a1[0]*f1[0];
+    v1[1] = a1[1]*f1[1];
+    v1[2] = a1[2]*f1[2];
+    v1[3] = a1[0]*f1[1];
+    v1[4] = a1[0]*f1[2];
+    v1[5] = a1[1]*f1[2];
+    v1[6] = a1[1]*f1[0];
+    v1[7] = a1[2]*f1[0];
+    v1[8] = a1[2]*f1[1];
+
+    v2[0] = a2[0]*f2[0];
+    v2[1] = a2[1]*f2[1];
+    v2[2] = a2[2]*f2[2];
+    v2[3] = a2[0]*f2[1];
+    v2[4] = a2[0]*f2[2];
+    v2[5] = a2[1]*f2[2];
+    v2[6] = a2[1]*f2[0];
+    v2[7] = a2[2]*f2[0];
+    v2[8] = a2[2]*f2[1];
+
+    v3[0] = a3[0]*f3[0];
+    v3[1] = a3[1]*f3[1];
+    v3[2] = a3[2]*f3[2];
+    v3[3] = a3[0]*f3[1];
+    v3[4] = a3[0]*f3[2];
+    v3[5] = a3[1]*f3[2];
+    v3[6] = a3[1]*f3[0];
+    v3[7] = a3[2]*f3[0];
+    v3[8] = a3[2]*f3[1];
+
+    v4[0] = a4[0]*f4[0];
+    v4[1] = a4[1]*f4[1];
+    v4[2] = a4[2]*f4[2];
+    v4[3] = a4[0]*f4[1];
+    v4[4] = a4[0]*f4[2];
+    v4[5] = a4[1]*f4[2];
+    v4[6] = a4[1]*f4[0];
+    v4[7] = a4[2]*f4[0];
+    v4[8] = a4[2]*f4[1];
+
+    if (newton_bond) {
+      v_tally9(thr->cvatom_imprp[i1],v1);
+      v_tally9(thr->cvatom_imprp[i2],v2);
+      v_tally9(thr->cvatom_imprp[i3],v3);
+      v_tally9(thr->cvatom_imprp[i4],v4);
+    } else {
+      if (i1 < nlocal) v_tally9(thr->cvatom_imprp[i1],v1);
+      if (i2 < nlocal) v_tally9(thr->cvatom_imprp[i2],v2);
+      if (i3 < nlocal) v_tally9(thr->cvatom_imprp[i3],v3);
+      if (i4 < nlocal) v_tally9(thr->cvatom_imprp[i4],v4);
+    }
+  }
+
 }
 
 /* ----------------------------------------------------------------------
diff --git a/src/USER-OMP/thr_omp.h b/src/USER-OMP/thr_omp.h
index 062d77bc0e..2db6e6f54f 100644
--- a/src/USER-OMP/thr_omp.h
+++ b/src/USER-OMP/thr_omp.h
@@ -64,7 +64,7 @@ class ThrOMP {
 
  protected:
   // extra ev_tally setup work for threaded styles
-  void ev_setup_thr(int, int, int, double *, double **, ThrData *);
+  void ev_setup_thr(int, int, int, double *, double **, double **, ThrData *);
 
   // compute global per thread virial contribution from per-thread force
   void virial_fdotr_compute_thr(double * const, const double * const * const,
diff --git a/src/angle.cpp b/src/angle.cpp
index 1b9532ea32..ee7e855782 100644
--- a/src/angle.cpp
+++ b/src/angle.cpp
@@ -34,9 +34,10 @@ Angle::Angle(LAMMPS *lmp) : Pointers(lmp)
   allocated = 0;
   suffix_flag = Suffix::NONE;
 
-  maxeatom = maxvatom = 0;
+  maxeatom = maxvatom = maxcvatom = 0;
   eatom = NULL;
   vatom = NULL;
+  cvatom = NULL;
   setflag = NULL;
 
   execution_space = Host;
@@ -54,6 +55,7 @@ Angle::~Angle()
 
   memory->destroy(eatom);
   memory->destroy(vatom);
+  memory->destroy(cvatom);
 }
 
 /* ----------------------------------------------------------------------
@@ -85,9 +87,10 @@ void Angle::ev_setup(int eflag, int vflag, int alloc)
   eflag_global = eflag % 2;
   eflag_atom = eflag / 2;
 
-  vflag_either = vflag;
   vflag_global = vflag % 4;
-  vflag_atom = vflag / 4;
+  vflag_atom = vflag & 4;
+  cvflag_atom = vflag & 8;
+  vflag_either = vflag_global || vflag_atom;
 
   // reallocate per-atom arrays if necessary
 
@@ -105,6 +108,13 @@ void Angle::ev_setup(int eflag, int vflag, int alloc)
       memory->create(vatom,comm->nthreads*maxvatom,6,"angle:vatom");
     }
   }
+  if (cvflag_atom && atom->nmax > maxcvatom) {
+    maxcvatom = atom->nmax;
+    if (alloc) {
+      memory->destroy(cvatom);
+      memory->create(cvatom,comm->nthreads*maxcvatom,9,"angle:cvatom");
+    }
+  }
 
   // zero accumulators
 
@@ -127,6 +137,22 @@ void Angle::ev_setup(int eflag, int vflag, int alloc)
       vatom[i][5] = 0.0;
     }
   }
+  if (cvflag_atom && alloc) {
+    n = atom->nlocal;
+    if (force->newton_bond) n += atom->nghost;
+    for (i = 0; i < n; i++) {
+      cvatom[i][0] = 0.0;
+      cvatom[i][1] = 0.0;
+      cvatom[i][2] = 0.0;
+      cvatom[i][3] = 0.0;
+      cvatom[i][4] = 0.0;
+      cvatom[i][5] = 0.0;
+      cvatom[i][6] = 0.0;
+      cvatom[i][7] = 0.0;
+      cvatom[i][8] = 0.0;
+      cvatom[i][9] = 0.0;
+    }
+  }
 }
 
 /* ----------------------------------------------------------------------
@@ -230,6 +256,76 @@ void Angle::ev_tally(int i, int j, int k, int nlocal, int newton_bond,
       }
     }
   }
+
+  // per-atom centroid virial
+  if (cvflag_atom) {
+
+    // r0 = (r1+r2+r3)/3
+    // rij = ri-rj
+    // total virial = r10*f1 + r20*f2 + r30*f3
+    // del1: r12
+    // del2: r32
+
+    if (newton_bond || i < nlocal) {
+      double a1[3];
+
+      // a1 = r10 = (2*r12 -   r32)/3
+      a1[0] = THIRD*(2*delx1-delx2);
+      a1[1] = THIRD*(2*dely1-dely2);
+      a1[2] = THIRD*(2*delz1-delz2);
+
+      cvatom[i][0] += a1[0]*f1[0];
+      cvatom[i][1] += a1[1]*f1[1];
+      cvatom[i][2] += a1[2]*f1[2];
+      cvatom[i][3] += a1[0]*f1[1];
+      cvatom[i][4] += a1[0]*f1[2];
+      cvatom[i][5] += a1[1]*f1[2];
+      cvatom[i][6] += a1[1]*f1[0];
+      cvatom[i][7] += a1[2]*f1[0];
+      cvatom[i][8] += a1[2]*f1[1];
+    }
+    if (newton_bond || j < nlocal) {
+      double a2[3];
+      double f2[3];
+
+      // a2 = r20 = ( -r12 -   r32)/3
+      a2[0] = THIRD*(-delx1-delx2);
+      a2[1] = THIRD*(-dely1-dely2);
+      a2[2] = THIRD*(-delz1-delz2);
+
+      f2[0] = - f1[0] - f3[0];
+      f2[1] = - f1[1] - f3[1];
+      f2[2] = - f1[2] - f3[2];
+
+      cvatom[j][0] += a2[0]*f2[0];
+      cvatom[j][1] += a2[1]*f2[1];
+      cvatom[j][2] += a2[2]*f2[2];
+      cvatom[j][3] += a2[0]*f2[1];
+      cvatom[j][4] += a2[0]*f2[2];
+      cvatom[j][5] += a2[1]*f2[2];
+      cvatom[j][6] += a2[1]*f2[0];
+      cvatom[j][7] += a2[2]*f2[0];
+      cvatom[j][8] += a2[2]*f2[1];
+    }
+    if (newton_bond || k < nlocal) {
+      double a3[3];
+
+      // a3 = r30 = ( -r12 + 2*r32)/3
+      a3[0] = THIRD*(-delx1+2*delx2);
+      a3[1] = THIRD*(-dely1+2*dely2);
+      a3[2] = THIRD*(-delz1+2*delz2);
+
+      cvatom[k][0] += a3[0]*f3[0];
+      cvatom[k][1] += a3[1]*f3[1];
+      cvatom[k][2] += a3[2]*f3[2];
+      cvatom[k][3] += a3[0]*f3[1];
+      cvatom[k][4] += a3[0]*f3[2];
+      cvatom[k][5] += a3[1]*f3[2];
+      cvatom[k][6] += a3[1]*f3[0];
+      cvatom[k][7] += a3[2]*f3[0];
+      cvatom[k][8] += a3[2]*f3[1];
+    }
+  }
 }
 
 /* ---------------------------------------------------------------------- */
@@ -238,5 +334,6 @@ double Angle::memory_usage()
 {
   double bytes = comm->nthreads*maxeatom * sizeof(double);
   bytes += comm->nthreads*maxvatom*6 * sizeof(double);
+  bytes += comm->nthreads*maxcvatom*9 * sizeof(double);
   return bytes;
 }
diff --git a/src/angle.h b/src/angle.h
index c0d1199dcd..139380ff39 100644
--- a/src/angle.h
+++ b/src/angle.h
@@ -28,6 +28,7 @@ class Angle : protected Pointers {
   double energy;                  // accumulated energies
   double virial[6];               // accumulated virial
   double *eatom,**vatom;          // accumulated per-atom energy/virial
+  double **cvatom;                // accumulated per-atom centroid virial
 
   // KOKKOS host/device flag and data masks
 
@@ -56,12 +57,12 @@ class Angle : protected Pointers {
 
   int evflag;
   int eflag_either,eflag_global,eflag_atom;
-  int vflag_either,vflag_global,vflag_atom;
-  int maxeatom,maxvatom;
+  int vflag_either,vflag_global,vflag_atom,cvflag_atom;
+  int maxeatom,maxvatom,maxcvatom;
 
   void ev_init(int eflag, int vflag, int alloc = 1) {
     if (eflag||vflag) ev_setup(eflag, vflag, alloc);
-    else evflag = eflag_either = eflag_global = eflag_atom = vflag_either = vflag_global = vflag_atom = 0;
+    else evflag = eflag_either = eflag_global = eflag_atom = vflag_either = vflag_global = vflag_atom = cvflag_atom = 0;
   }
   void ev_setup(int, int, int alloc = 1);
   void ev_tally(int, int, int, int, int, double, double *, double *,
diff --git a/src/angle_hybrid.cpp b/src/angle_hybrid.cpp
index b8535e692e..7c0cbd3008 100644
--- a/src/angle_hybrid.cpp
+++ b/src/angle_hybrid.cpp
@@ -128,6 +128,14 @@ void AngleHybrid::compute(int eflag, int vflag)
         for (j = 0; j < 6; j++)
           vatom[i][j] += vatom_substyle[i][j];
     }
+    if (cvflag_atom) {
+      n = atom->nlocal;
+      if (force->newton_bond) n += atom->nghost;
+      double **cvatom_substyle = styles[m]->cvatom;
+      for (i = 0; i < n; i++)
+        for (j = 0; j < 9; j++)
+          cvatom[i][j] += cvatom_substyle[i][j];
+    }
   }
 
   // restore ptrs to original anglelist
@@ -370,6 +378,7 @@ double AngleHybrid::memory_usage()
 {
   double bytes = maxeatom * sizeof(double);
   bytes += maxvatom*6 * sizeof(double);
+  bytes += maxcvatom*9 * sizeof(double);
   for (int m = 0; m < nstyles; m++) bytes += maxangle[m]*4 * sizeof(int);
   for (int m = 0; m < nstyles; m++)
     if (styles[m]) bytes += styles[m]->memory_usage();
diff --git a/src/bond.cpp b/src/bond.cpp
index bb54306280..d16ce5fe0f 100644
--- a/src/bond.cpp
+++ b/src/bond.cpp
@@ -91,6 +91,7 @@ void Bond::ev_setup(int eflag, int vflag, int alloc)
 
   vflag_either = vflag;
   vflag_global = vflag % 4;
+  // per-atom virial and per-atom centroid virial are the same for bonds
   vflag_atom = vflag / 4;
 
   // reallocate per-atom arrays if necessary
diff --git a/src/compute.h b/src/compute.h
index 38d001db6f..c28af32c26 100644
--- a/src/compute.h
+++ b/src/compute.h
@@ -59,6 +59,8 @@ class Compute : protected Pointers {
   int pressflag;      // 1 if Compute can be used as pressure (uses virial)
                       // must have both compute_scalar, compute_vector
   int pressatomflag;  // 1 if Compute calculates per-atom virial
+                      // 2 if Compute calculates per-atom centroid virial
+                      // 3 if Compute calculates both
   int peflag;         // 1 if Compute calculates PE (uses Force energies)
   int peatomflag;     // 1 if Compute calculates per-atom PE
   int create_attribute;    // 1 if compute stores attributes that need
diff --git a/src/compute_centroid_stress_atom.cpp b/src/compute_centroid_stress_atom.cpp
new file mode 100644
index 0000000000..3f5b2cba81
--- /dev/null
+++ b/src/compute_centroid_stress_atom.cpp
@@ -0,0 +1,438 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#include "compute_centroid_stress_atom.h"
+#include <cstring>
+#include "atom.h"
+#include "update.h"
+#include "comm.h"
+#include "force.h"
+#include "pair.h"
+#include "bond.h"
+#include "angle.h"
+#include "dihedral.h"
+#include "improper.h"
+#include "kspace.h"
+#include "modify.h"
+#include "fix.h"
+#include "memory.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+
+enum{NOBIAS,BIAS};
+
+/* ---------------------------------------------------------------------- */
+
+ComputeCentroidStressAtom::ComputeCentroidStressAtom(LAMMPS *lmp, int narg, char **arg) :
+  Compute(lmp, narg, arg),
+  id_temp(NULL), stress(NULL)
+{
+  if (narg < 4) error->all(FLERR,"Illegal compute centroid/stress/atom command");
+
+  peratom_flag = 1;
+  size_peratom_cols = 9;
+  pressatomflag = 2;
+  timeflag = 1;
+  comm_reverse = 9;
+
+  // store temperature ID used by stress computation
+  // insure it is valid for temperature computation
+
+  if (strcmp(arg[3],"NULL") == 0) id_temp = NULL;
+  else {
+    int n = strlen(arg[3]) + 1;
+    id_temp = new char[n];
+    strcpy(id_temp,arg[3]);
+
+    int icompute = modify->find_compute(id_temp);
+    if (icompute < 0)
+      error->all(FLERR,"Could not find compute centroid/stress/atom temperature ID");
+    if (modify->compute[icompute]->tempflag == 0)
+      error->all(FLERR,
+                 "Compute centroid/stress/atom temperature ID does not "
+                 "compute temperature");
+  }
+
+  // process optional args
+
+  if (narg == 4) {
+    keflag = 1;
+    pairflag = 1;
+    bondflag = angleflag = dihedralflag = improperflag = 1;
+    kspaceflag = 1;
+    fixflag = 1;
+  } else {
+    keflag = 0;
+    pairflag = 0;
+    bondflag = angleflag = dihedralflag = improperflag = 0;
+    kspaceflag = 0;
+    fixflag = 0;
+    int iarg = 4;
+    while (iarg < narg) {
+      if (strcmp(arg[iarg],"ke") == 0) keflag = 1;
+      else if (strcmp(arg[iarg],"pair") == 0) pairflag = 1;
+      else if (strcmp(arg[iarg],"bond") == 0) bondflag = 1;
+      else if (strcmp(arg[iarg],"angle") == 0) angleflag = 1;
+      else if (strcmp(arg[iarg],"dihedral") == 0) dihedralflag = 1;
+      else if (strcmp(arg[iarg],"improper") == 0) improperflag = 1;
+      else if (strcmp(arg[iarg],"kspace") == 0) kspaceflag = 1;
+      else if (strcmp(arg[iarg],"fix") == 0) fixflag = 1;
+      else if (strcmp(arg[iarg],"virial") == 0) {
+        pairflag = 1;
+        bondflag = angleflag = dihedralflag = improperflag = 1;
+        kspaceflag = fixflag = 1;
+      } else error->all(FLERR,"Illegal compute centroid/stress/atom command");
+      iarg++;
+    }
+  }
+
+  nmax = 0;
+}
+
+/* ---------------------------------------------------------------------- */
+
+ComputeCentroidStressAtom::~ComputeCentroidStressAtom()
+{
+  delete [] id_temp;
+  memory->destroy(stress);
+}
+
+/* ---------------------------------------------------------------------- */
+
+void ComputeCentroidStressAtom::init()
+{
+  // set temperature compute, must be done in init()
+  // fixes could have changed or compute_modify could have changed it
+
+  if (id_temp) {
+    int icompute = modify->find_compute(id_temp);
+    if (icompute < 0)
+      error->all(FLERR,"Could not find compute centroid/stress/atom temperature ID");
+    temperature = modify->compute[icompute];
+    if (temperature->tempbias) biasflag = BIAS;
+    else biasflag = NOBIAS;
+  } else biasflag = NOBIAS;
+
+  // check if pair styles support centroid atom stress
+  if (pairflag && force->pair)
+    if (force->pair->centroidstressflag & 4)
+      error->all(FLERR, "Pair style does not support compute centroid/stress/atom");
+}
+
+/* ---------------------------------------------------------------------- */
+
+void ComputeCentroidStressAtom::compute_peratom()
+{
+  int i,j;
+  double onemass;
+
+  invoked_peratom = update->ntimestep;
+  if (update->vflag_atom != invoked_peratom)
+    error->all(FLERR,"Per-atom virial was not tallied on needed timestep");
+
+  // grow local stress array if necessary
+  // needs to be atom->nmax in length
+
+  if (atom->nmax > nmax) {
+    memory->destroy(stress);
+    nmax = atom->nmax;
+    memory->create(stress,nmax,9,"centroid/stress/atom:stress");
+    array_atom = stress;
+  }
+
+  // npair includes ghosts if either newton flag is set
+  //   b/c some bonds/dihedrals call pair::ev_tally with pairwise info
+  // nbond includes ghosts if newton_bond is set
+  // ntotal includes ghosts if either newton flag is set
+  // KSpace includes ghosts if tip4pflag is set
+
+  int nlocal = atom->nlocal;
+  int npair = nlocal;
+  int nbond = nlocal;
+  int ntotal = nlocal;
+  int nkspace = nlocal;
+  if (force->newton) npair += atom->nghost;
+  if (force->newton_bond) nbond += atom->nghost;
+  if (force->newton) ntotal += atom->nghost;
+  if (force->kspace && force->kspace->tip4pflag) nkspace += atom->nghost;
+
+  // clear local stress array
+
+  for (i = 0; i < ntotal; i++)
+    for (j = 0; j < 9; j++)
+      stress[i][j] = 0.0;
+
+  // add in per-atom contributions from each force
+
+  // per-atom virial and per-atom centroid virial are the same for two-body
+  // many-body pair styles not yet implemented
+  if (pairflag && force->pair) {
+    if (force->pair->centroidstressflag & 2) {
+      double **cvatom = force->pair->cvatom;
+      for (i = 0; i < npair; i++)
+        for (j = 0; j < 9; j++)
+          stress[i][j] += cvatom[i][j];
+    } else {
+      double **vatom = force->pair->vatom;
+      for (i = 0; i < npair; i++) {
+        for (j = 0; j < 6; j++)
+          stress[i][j] += vatom[i][j];
+        for (j = 6; j < 9; j++)
+          stress[i][j] += vatom[i][j-3];
+      }
+    }
+  }
+
+  // per-atom virial and per-atom centroid virial are the same for bonds
+  if (bondflag && force->bond) {
+    double **vatom = force->bond->vatom;
+    for (i = 0; i < nbond; i++) {
+      for (j = 0; j < 6; j++)
+        stress[i][j] += vatom[i][j];
+      for (j = 6; j < 9; j++)
+        stress[i][j] += vatom[i][j-3];
+    }
+  }
+
+  if (angleflag && force->angle) {
+    double **cvatom = force->angle->cvatom;
+    for (i = 0; i < nbond; i++)
+      for (j = 0; j < 9; j++)
+        stress[i][j] += cvatom[i][j];
+  }
+
+  if (dihedralflag && force->dihedral) {
+    double **cvatom = force->dihedral->cvatom;
+    for (i = 0; i < nbond; i++)
+      for (j = 0; j < 9; j++)
+        stress[i][j] += cvatom[i][j];
+  }
+
+  if (improperflag && force->improper) {
+    double **cvatom = force->improper->cvatom;
+    for (i = 0; i < nbond; i++)
+      for (j = 0; j < 9; j++)
+        stress[i][j] += cvatom[i][j];
+  }
+
+  if (kspaceflag && force->kspace) {
+    double **vatom = force->kspace->vatom;
+    for (i = 0; i < nkspace; i++) {
+      for (j = 0; j < 6; j++)
+        stress[i][j] += vatom[i][j];
+      for (j = 6; j < 9; j++)
+        stress[i][j] += vatom[i][j-3];
+    }
+  }
+
+  // add in per-atom contributions from relevant fixes
+  // skip if vatom = NULL
+  // possible during setup phase if fix has not initialized its vatom yet
+  // e.g. fix ave/spatial defined before fix shake,
+  //   and fix ave/spatial uses a per-atom stress from this compute as input
+
+  if (fixflag) {
+    for (int ifix = 0; ifix < modify->nfix; ifix++)
+      if (modify->fix[ifix]->virial_flag) {
+        double **vatom = modify->fix[ifix]->vatom;
+        if (vatom)
+          for (i = 0; i < nlocal; i++) {
+            for (j = 0; j < 6; j++)
+              stress[i][j] += vatom[i][j];
+            for (j = 6; j < 9; j++)
+              stress[i][j] += vatom[i][j-3];
+          }
+      }
+  }
+
+  // communicate ghost virials between neighbor procs
+
+  if (force->newton || (force->kspace && force->kspace->tip4pflag))
+    comm->reverse_comm_compute(this);
+
+  // zero virial of atoms not in group
+  // only do this after comm since ghost contributions must be included
+
+  int *mask = atom->mask;
+
+  for (i = 0; i < nlocal; i++)
+    if (!(mask[i] & groupbit)) {
+      stress[i][0] = 0.0;
+      stress[i][1] = 0.0;
+      stress[i][2] = 0.0;
+      stress[i][3] = 0.0;
+      stress[i][4] = 0.0;
+      stress[i][5] = 0.0;
+      stress[i][6] = 0.0;
+      stress[i][7] = 0.0;
+      stress[i][8] = 0.0;
+    }
+
+  // include kinetic energy term for each atom in group
+  // apply temperature bias is applicable
+  // mvv2e converts mv^2 to energy
+
+  if (keflag) {
+    double **v = atom->v;
+    double *mass = atom->mass;
+    double *rmass = atom->rmass;
+    int *type = atom->type;
+    double mvv2e = force->mvv2e;
+
+    if (biasflag == NOBIAS) {
+      if (rmass) {
+        for (i = 0; i < nlocal; i++)
+          if (mask[i] & groupbit) {
+            onemass = mvv2e * rmass[i];
+            stress[i][0] += onemass*v[i][0]*v[i][0];
+            stress[i][1] += onemass*v[i][1]*v[i][1];
+            stress[i][2] += onemass*v[i][2]*v[i][2];
+            stress[i][3] += onemass*v[i][0]*v[i][1];
+            stress[i][4] += onemass*v[i][0]*v[i][2];
+            stress[i][5] += onemass*v[i][1]*v[i][2];
+            stress[i][6] += onemass*v[i][1]*v[i][0];
+            stress[i][7] += onemass*v[i][2]*v[i][0];
+            stress[i][8] += onemass*v[i][2]*v[i][1];
+          }
+
+      } else {
+        for (i = 0; i < nlocal; i++)
+          if (mask[i] & groupbit) {
+            onemass = mvv2e * mass[type[i]];
+            stress[i][0] += onemass*v[i][0]*v[i][0];
+            stress[i][1] += onemass*v[i][1]*v[i][1];
+            stress[i][2] += onemass*v[i][2]*v[i][2];
+            stress[i][3] += onemass*v[i][0]*v[i][1];
+            stress[i][4] += onemass*v[i][0]*v[i][2];
+            stress[i][5] += onemass*v[i][1]*v[i][2];
+            stress[i][6] += onemass*v[i][1]*v[i][0];
+            stress[i][7] += onemass*v[i][2]*v[i][0];
+            stress[i][8] += onemass*v[i][2]*v[i][1];
+          }
+      }
+
+    } else {
+
+      // invoke temperature if it hasn't been already
+      // this insures bias factor is pre-computed
+
+      if (keflag && temperature->invoked_scalar != update->ntimestep)
+        temperature->compute_scalar();
+
+      if (rmass) {
+        for (i = 0; i < nlocal; i++)
+          if (mask[i] & groupbit) {
+            temperature->remove_bias(i,v[i]);
+            onemass = mvv2e * rmass[i];
+            stress[i][0] += onemass*v[i][0]*v[i][0];
+            stress[i][1] += onemass*v[i][1]*v[i][1];
+            stress[i][2] += onemass*v[i][2]*v[i][2];
+            stress[i][3] += onemass*v[i][0]*v[i][1];
+            stress[i][4] += onemass*v[i][0]*v[i][2];
+            stress[i][5] += onemass*v[i][1]*v[i][2];
+            stress[i][6] += onemass*v[i][1]*v[i][0];
+            stress[i][7] += onemass*v[i][2]*v[i][0];
+            stress[i][8] += onemass*v[i][2]*v[i][1];
+            temperature->restore_bias(i,v[i]);
+          }
+
+      } else {
+        for (i = 0; i < nlocal; i++)
+          if (mask[i] & groupbit) {
+            temperature->remove_bias(i,v[i]);
+            onemass = mvv2e * mass[type[i]];
+            stress[i][0] += onemass*v[i][0]*v[i][0];
+            stress[i][1] += onemass*v[i][1]*v[i][1];
+            stress[i][2] += onemass*v[i][2]*v[i][2];
+            stress[i][3] += onemass*v[i][0]*v[i][1];
+            stress[i][4] += onemass*v[i][0]*v[i][2];
+            stress[i][5] += onemass*v[i][1]*v[i][2];
+            stress[i][6] += onemass*v[i][1]*v[i][0];
+            stress[i][7] += onemass*v[i][2]*v[i][0];
+            stress[i][8] += onemass*v[i][2]*v[i][1];
+            temperature->restore_bias(i,v[i]);
+          }
+      }
+    }
+  }
+
+  // convert to stress*volume units = -pressure*volume
+
+  double nktv2p = -force->nktv2p;
+  for (i = 0; i < nlocal; i++)
+    if (mask[i] & groupbit) {
+      stress[i][0] *= nktv2p;
+      stress[i][1] *= nktv2p;
+      stress[i][2] *= nktv2p;
+      stress[i][3] *= nktv2p;
+      stress[i][4] *= nktv2p;
+      stress[i][5] *= nktv2p;
+      stress[i][6] *= nktv2p;
+      stress[i][7] *= nktv2p;
+      stress[i][8] *= nktv2p;
+    }
+}
+
+/* ---------------------------------------------------------------------- */
+
+int ComputeCentroidStressAtom::pack_reverse_comm(int n, int first, double *buf)
+{
+  int i,m,last;
+
+  m = 0;
+  last = first + n;
+  for (i = first; i < last; i++) {
+    buf[m++] = stress[i][0];
+    buf[m++] = stress[i][1];
+    buf[m++] = stress[i][2];
+    buf[m++] = stress[i][3];
+    buf[m++] = stress[i][4];
+    buf[m++] = stress[i][5];
+    buf[m++] = stress[i][6];
+    buf[m++] = stress[i][7];
+    buf[m++] = stress[i][8];
+  }
+  return m;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void ComputeCentroidStressAtom::unpack_reverse_comm(int n, int *list, double *buf)
+{
+  int i,j,m;
+
+  m = 0;
+  for (i = 0; i < n; i++) {
+    j = list[i];
+    stress[j][0] += buf[m++];
+    stress[j][1] += buf[m++];
+    stress[j][2] += buf[m++];
+    stress[j][3] += buf[m++];
+    stress[j][4] += buf[m++];
+    stress[j][5] += buf[m++];
+    stress[j][6] += buf[m++];
+    stress[j][7] += buf[m++];
+    stress[j][8] += buf[m++];
+  }
+}
+
+/* ----------------------------------------------------------------------
+   memory usage of local atom-based array
+------------------------------------------------------------------------- */
+
+double ComputeCentroidStressAtom::memory_usage()
+{
+  double bytes = nmax*9 * sizeof(double);
+  return bytes;
+}
diff --git a/src/compute_centroid_stress_atom.h b/src/compute_centroid_stress_atom.h
new file mode 100644
index 0000000000..8d931c179c
--- /dev/null
+++ b/src/compute_centroid_stress_atom.h
@@ -0,0 +1,74 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef COMPUTE_CLASS
+
+ComputeStyle(centroid/stress/atom,ComputeCentroidStressAtom)
+
+#else
+
+#ifndef LMP_COMPUTE_CENTROID_STRESS_ATOM_H
+#define LMP_COMPUTE_CENTROID_STRESS_ATOM_H
+
+#include "compute.h"
+
+namespace LAMMPS_NS {
+
+class ComputeCentroidStressAtom : public Compute {
+ public:
+  ComputeCentroidStressAtom(class LAMMPS *, int, char **);
+  ~ComputeCentroidStressAtom();
+  void init();
+  void compute_peratom();
+  int pack_reverse_comm(int, int, double *);
+  void unpack_reverse_comm(int, int *, double *);
+  double memory_usage();
+
+ private:
+  int keflag,pairflag,bondflag,angleflag,dihedralflag,improperflag;
+  int kspaceflag,fixflag,biasflag;
+  Compute *temperature;
+  char *id_temp;
+
+  int nmax;
+  double **stress;
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: Illegal ... command
+
+Self-explanatory.  Check the input script syntax and compare to the
+documentation for the command.  You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
+
+E: Could not find compute centroid/stress/atom temperature ID
+
+Self-explanatory.
+
+E: Compute centroid/stress/atom temperature ID does not compute temperature
+
+The specified compute must compute temperature.
+
+E: Per-atom virial was not tallied on needed timestep
+
+You are using a thermo keyword that requires potentials to have
+tallied the virial, but they didn't on this timestep.  See the
+variable doc page for ideas on how to make this work.
+
+*/
diff --git a/src/compute_heat_flux.cpp b/src/compute_heat_flux.cpp
index c465a2ab02..7b607bd4db 100644
--- a/src/compute_heat_flux.cpp
+++ b/src/compute_heat_flux.cpp
@@ -65,9 +65,10 @@ ComputeHeatFlux::ComputeHeatFlux(LAMMPS *lmp, int narg, char **arg) :
     error->all(FLERR,"Compute heat/flux compute ID does not compute ke/atom");
   if (modify->compute[ipe]->peatomflag == 0)
     error->all(FLERR,"Compute heat/flux compute ID does not compute pe/atom");
-  if (modify->compute[istress]->pressatomflag == 0)
+  if (modify->compute[istress]->pressatomflag != 1
+      && modify->compute[istress]->pressatomflag != 2)
     error->all(FLERR,
-               "Compute heat/flux compute ID does not compute stress/atom");
+               "Compute heat/flux compute ID does not compute stress/atom or centroid/stress/atom");
 
   vector = new double[size_vector];
 }
@@ -137,18 +138,48 @@ void ComputeHeatFlux::compute_vector()
   double jv[3] = {0.0,0.0,0.0};
   double eng;
 
-  for (int i = 0; i < nlocal; i++) {
-    if (mask[i] & groupbit) {
-      eng = pe[i] + ke[i];
-      jc[0] += eng*v[i][0];
-      jc[1] += eng*v[i][1];
-      jc[2] += eng*v[i][2];
-      jv[0] -= stress[i][0]*v[i][0] + stress[i][3]*v[i][1] +
-        stress[i][4]*v[i][2];
-      jv[1] -= stress[i][3]*v[i][0] + stress[i][1]*v[i][1] +
-        stress[i][5]*v[i][2];
-      jv[2] -= stress[i][4]*v[i][0] + stress[i][5]*v[i][1] +
-        stress[i][2]*v[i][2];
+  // heat flux via centroid atomic stress
+  if (c_stress->pressatomflag == 2) {
+    for (int i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) {
+        eng = pe[i] + ke[i];
+        jc[0] += eng*v[i][0];
+        jc[1] += eng*v[i][1];
+        jc[2] += eng*v[i][2];
+        // stress[0]: rijx*fijx
+        // stress[1]: rijy*fijy
+        // stress[2]: rijz*fijz
+        // stress[3]: rijx*fijy
+        // stress[4]: rijx*fijz
+        // stress[5]: rijy*fijz
+        // stress[6]: rijy*fijx
+        // stress[7]: rijz*fijx
+        // stress[8]: rijz*fijy
+        // jv[0]  = rijx fijx vjx + rijx fijy vjy + rijx fijz vjz
+        jv[0] -= stress[i][0]*v[i][0] + stress[i][3]*v[i][1] +
+          stress[i][4]*v[i][2];
+        // jv[1]  = rijy fijx vjx + rijy fijy vjy + rijy fijz vjz
+        jv[1] -= stress[i][6]*v[i][0] + stress[i][1]*v[i][1] +
+          stress[i][5]*v[i][2];
+        // jv[2]  = rijz fijx vjx + rijz fijy vjy + rijz fijz vjz
+        jv[2] -= stress[i][7]*v[i][0] + stress[i][8]*v[i][1] +
+          stress[i][2]*v[i][2];
+      }
+    }
+  } else {
+    for (int i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) {
+        eng = pe[i] + ke[i];
+        jc[0] += eng*v[i][0];
+        jc[1] += eng*v[i][1];
+        jc[2] += eng*v[i][2];
+        jv[0] -= stress[i][0]*v[i][0] + stress[i][3]*v[i][1] +
+          stress[i][4]*v[i][2];
+        jv[1] -= stress[i][3]*v[i][0] + stress[i][1]*v[i][1] +
+          stress[i][5]*v[i][2];
+        jv[2] -= stress[i][4]*v[i][0] + stress[i][5]*v[i][1] +
+          stress[i][2]*v[i][2];
+      }
     }
   }
 
diff --git a/src/dihedral.cpp b/src/dihedral.cpp
index d2de841dd0..7c6f6aad5e 100644
--- a/src/dihedral.cpp
+++ b/src/dihedral.cpp
@@ -33,9 +33,10 @@ Dihedral::Dihedral(LAMMPS *lmp) : Pointers(lmp)
 
   allocated = 0;
 
-  maxeatom = maxvatom = 0;
+  maxeatom = maxvatom = maxcvatom = 0;
   eatom = NULL;
   vatom = NULL;
+  cvatom = NULL;
   setflag = NULL;
 
   execution_space = Host;
@@ -53,6 +54,7 @@ Dihedral::~Dihedral()
 
   memory->destroy(eatom);
   memory->destroy(vatom);
+  memory->destroy(cvatom);
 }
 
 /* ----------------------------------------------------------------------
@@ -83,9 +85,10 @@ void Dihedral::ev_setup(int eflag, int vflag, int alloc)
   eflag_global = eflag % 2;
   eflag_atom = eflag / 2;
 
-  vflag_either = vflag;
   vflag_global = vflag % 4;
-  vflag_atom = vflag / 4;
+  vflag_atom = vflag & 4;
+  cvflag_atom = vflag & 8;
+  vflag_either = vflag_global || vflag_atom;
 
   // reallocate per-atom arrays if necessary
 
@@ -103,6 +106,13 @@ void Dihedral::ev_setup(int eflag, int vflag, int alloc)
       memory->create(vatom,comm->nthreads*maxvatom,6,"dihedral:vatom");
     }
   }
+  if (cvflag_atom && atom->nmax > maxcvatom) {
+    maxcvatom = atom->nmax;
+    if (alloc) {
+      memory->destroy(cvatom);
+      memory->create(cvatom,comm->nthreads*maxcvatom,9,"dihedral:cvatom");
+    }
+  }
 
   // zero accumulators
 
@@ -125,6 +135,22 @@ void Dihedral::ev_setup(int eflag, int vflag, int alloc)
       vatom[i][5] = 0.0;
     }
   }
+  if (cvflag_atom && alloc) {
+    n = atom->nlocal;
+    if (force->newton_bond) n += atom->nghost;
+    for (i = 0; i < n; i++) {
+      cvatom[i][0] = 0.0;
+      cvatom[i][1] = 0.0;
+      cvatom[i][2] = 0.0;
+      cvatom[i][3] = 0.0;
+      cvatom[i][4] = 0.0;
+      cvatom[i][5] = 0.0;
+      cvatom[i][6] = 0.0;
+      cvatom[i][7] = 0.0;
+      cvatom[i][8] = 0.0;
+      cvatom[i][9] = 0.0;
+    }
+  }
 }
 
 /* ----------------------------------------------------------------------
@@ -250,6 +276,95 @@ void Dihedral::ev_tally(int i1, int i2, int i3, int i4,
       }
     }
   }
+
+  // per-atom centroid virial
+  if (cvflag_atom) {
+
+    // r0 = (r1+r2+r3+r4)/4
+    // rij = ri-rj
+    // total virial = r10*f1 + r20*f2 + r30*f3 + r40*f4
+    // vb1: r12
+    // vb2: r32
+    // vb3: r43
+
+    if (newton_bond || i1 < nlocal) {
+      double a1[3];
+
+      // a1 = r10 = (3*r12 - 2*r32 -   r43)/4
+      a1[0] = 0.25*(3*vb1x - 2*vb2x - vb3x);
+      a1[1] = 0.25*(3*vb1y - 2*vb2y - vb3y);
+      a1[2] = 0.25*(3*vb1z - 2*vb2z - vb3z);
+
+      cvatom[i1][0] += a1[0]*f1[0];
+      cvatom[i1][1] += a1[1]*f1[1];
+      cvatom[i1][2] += a1[2]*f1[2];
+      cvatom[i1][3] += a1[0]*f1[1];
+      cvatom[i1][4] += a1[0]*f1[2];
+      cvatom[i1][5] += a1[1]*f1[2];
+      cvatom[i1][6] += a1[1]*f1[0];
+      cvatom[i1][7] += a1[2]*f1[0];
+      cvatom[i1][8] += a1[2]*f1[1];
+    }
+    if (newton_bond || i2 < nlocal) {
+      double a2[3];
+      double f2[3];
+
+      // a2 = r20 = ( -r12 - 2*r32 -   r43)/4
+      a2[0] = 0.25*(-vb1x - 2*vb2x - vb3x);
+      a2[1] = 0.25*(-vb1y - 2*vb2y - vb3y);
+      a2[2] = 0.25*(-vb1z - 2*vb2z - vb3z);
+
+      f2[0] = - f1[0] - f3[0] - f4[0];
+      f2[1] = - f1[1] - f3[1] - f4[1];
+      f2[2] = - f1[2] - f3[2] - f4[2];
+
+      cvatom[i2][0] += a2[0]*f2[0];
+      cvatom[i2][1] += a2[1]*f2[1];
+      cvatom[i2][2] += a2[2]*f2[2];
+      cvatom[i2][3] += a2[0]*f2[1];
+      cvatom[i2][4] += a2[0]*f2[2];
+      cvatom[i2][5] += a2[1]*f2[2];
+      cvatom[i2][6] += a2[1]*f2[0];
+      cvatom[i2][7] += a2[2]*f2[0];
+      cvatom[i2][8] += a2[2]*f2[1];
+    }
+    if (newton_bond || i3 < nlocal) {
+      double a3[3];
+
+      // a3 = r30 = ( -r12 + 2*r32 -   r43)/4
+      a3[0] = 0.25*(-vb1x + 2*vb2x - vb3x);
+      a3[1] = 0.25*(-vb1y + 2*vb2y - vb3y);
+      a3[2] = 0.25*(-vb1z + 2*vb2z - vb3z);
+
+      cvatom[i3][0] += a3[0]*f3[0];
+      cvatom[i3][1] += a3[1]*f3[1];
+      cvatom[i3][2] += a3[2]*f3[2];
+      cvatom[i3][3] += a3[0]*f3[1];
+      cvatom[i3][4] += a3[0]*f3[2];
+      cvatom[i3][5] += a3[1]*f3[2];
+      cvatom[i3][6] += a3[1]*f3[0];
+      cvatom[i3][7] += a3[2]*f3[0];
+      cvatom[i3][8] += a3[2]*f3[1];
+    }
+    if (newton_bond || i4 < nlocal) {
+      double a4[3];
+
+      // a4 = r40 = ( -r12 + 2*r32 + 3*r43)/4
+      a4[0] = 0.25*(-vb1x + 2*vb2x + 3*vb3x);
+      a4[1] = 0.25*(-vb1y + 2*vb2y + 3*vb3y);
+      a4[2] = 0.25*(-vb1z + 2*vb2z + 3*vb3z);
+
+      cvatom[i4][0] += a4[0]*f4[0];
+      cvatom[i4][1] += a4[1]*f4[1];
+      cvatom[i4][2] += a4[2]*f4[2];
+      cvatom[i4][3] += a4[0]*f4[1];
+      cvatom[i4][4] += a4[0]*f4[2];
+      cvatom[i4][5] += a4[1]*f4[2];
+      cvatom[i4][6] += a4[1]*f4[0];
+      cvatom[i4][7] += a4[2]*f4[0];
+      cvatom[i4][8] += a4[2]*f4[1];
+    }
+  }
 }
 
 /* ---------------------------------------------------------------------- */
@@ -258,5 +373,6 @@ double Dihedral::memory_usage()
 {
   double bytes = comm->nthreads*maxeatom * sizeof(double);
   bytes += comm->nthreads*maxvatom*6 * sizeof(double);
+  bytes += comm->nthreads*maxcvatom*9 * sizeof(double);
   return bytes;
 }
diff --git a/src/dihedral.h b/src/dihedral.h
index f7b0ad1c71..c96891b1c4 100644
--- a/src/dihedral.h
+++ b/src/dihedral.h
@@ -28,6 +28,7 @@ class Dihedral : protected Pointers {
   double energy;                     // accumulated energy
   double virial[6];                  // accumulated virial
   double *eatom,**vatom;             // accumulated per-atom energy/virial
+  double **cvatom;                   // accumulated per-atom centroid virial
 
   // KOKKOS host/device flag and data masks
 
@@ -54,12 +55,12 @@ class Dihedral : protected Pointers {
 
   int evflag;
   int eflag_either,eflag_global,eflag_atom;
-  int vflag_either,vflag_global,vflag_atom;
-  int maxeatom,maxvatom;
+  int vflag_either,vflag_global,vflag_atom,cvflag_atom;
+  int maxeatom,maxvatom,maxcvatom;
 
   void ev_init(int eflag, int vflag, int alloc = 1) {
     if (eflag||vflag) ev_setup(eflag, vflag, alloc);
-    else evflag = eflag_either = eflag_global = eflag_atom = vflag_either = vflag_global = vflag_atom = 0;
+    else evflag = eflag_either = eflag_global = eflag_atom = vflag_either = vflag_global = vflag_atom = cvflag_atom = 0;
   }
   void ev_setup(int, int, int alloc = 1);
   void ev_tally(int, int, int, int, int, int, double,
diff --git a/src/dihedral_hybrid.cpp b/src/dihedral_hybrid.cpp
index fe755ab85b..ca5c90093c 100644
--- a/src/dihedral_hybrid.cpp
+++ b/src/dihedral_hybrid.cpp
@@ -130,6 +130,14 @@ void DihedralHybrid::compute(int eflag, int vflag)
         for (j = 0; j < 6; j++)
           vatom[i][j] += vatom_substyle[i][j];
     }
+    if (cvflag_atom) {
+      n = atom->nlocal;
+      if (force->newton_bond) n += atom->nghost;
+      double **cvatom_substyle = styles[m]->cvatom;
+      for (i = 0; i < n; i++)
+        for (j = 0; j < 9; j++)
+          cvatom[i][j] += cvatom_substyle[i][j];
+    }
   }
 
   // restore ptrs to original dihedrallist
@@ -348,6 +356,7 @@ double DihedralHybrid::memory_usage()
 {
   double bytes = maxeatom * sizeof(double);
   bytes += maxvatom*6 * sizeof(double);
+  bytes += maxcvatom*9 * sizeof(double);
   for (int m = 0; m < nstyles; m++) bytes += maxdihedral[m]*5 * sizeof(int);
   for (int m = 0; m < nstyles; m++)
     if (styles[m]) bytes += styles[m]->memory_usage();
diff --git a/src/fix_print.cpp b/src/fix_print.cpp
index 54132a3ce6..54a706d24b 100644
--- a/src/fix_print.cpp
+++ b/src/fix_print.cpp
@@ -136,7 +136,7 @@ void FixPrint::init()
   } else {
     if (update->ntimestep % nevery)
       next_print = (update->ntimestep/nevery)*nevery + nevery;
-    else 
+    else
       next_print = update->ntimestep;
   }
 
diff --git a/src/improper.cpp b/src/improper.cpp
index eefe3222ee..ad79a1a972 100644
--- a/src/improper.cpp
+++ b/src/improper.cpp
@@ -32,9 +32,10 @@ Improper::Improper(LAMMPS *lmp) : Pointers(lmp)
   allocated = 0;
   suffix_flag = Suffix::NONE;
 
-  maxeatom = maxvatom = 0;
+  maxeatom = maxvatom = maxcvatom = 0;
   eatom = NULL;
   vatom = NULL;
+  cvatom = NULL;
   setflag = NULL;
 
   execution_space = Host;
@@ -52,6 +53,7 @@ Improper::~Improper()
 
   memory->destroy(eatom);
   memory->destroy(vatom);
+  memory->destroy(cvatom);
 }
 
 /* ----------------------------------------------------------------------
@@ -83,9 +85,10 @@ void Improper::ev_setup(int eflag, int vflag, int alloc)
   eflag_global = eflag % 2;
   eflag_atom = eflag / 2;
 
-  vflag_either = vflag;
   vflag_global = vflag % 4;
-  vflag_atom = vflag / 4;
+  vflag_atom = vflag & 4;
+  cvflag_atom = vflag & 8;
+  vflag_either = vflag_global || vflag_atom;
 
   // reallocate per-atom arrays if necessary
 
@@ -103,6 +106,13 @@ void Improper::ev_setup(int eflag, int vflag, int alloc)
       memory->create(vatom,comm->nthreads*maxvatom,6,"improper:vatom");
     }
   }
+  if (cvflag_atom && atom->nmax > maxcvatom) {
+    maxcvatom = atom->nmax;
+    if (alloc) {
+      memory->destroy(cvatom);
+      memory->create(cvatom,comm->nthreads*maxcvatom,9,"improper:cvatom");
+    }
+  }
 
   // zero accumulators
 
@@ -125,6 +135,22 @@ void Improper::ev_setup(int eflag, int vflag, int alloc)
       vatom[i][5] = 0.0;
     }
   }
+  if (cvflag_atom && alloc) {
+    n = atom->nlocal;
+    if (force->newton_bond) n += atom->nghost;
+    for (i = 0; i < n; i++) {
+      cvatom[i][0] = 0.0;
+      cvatom[i][1] = 0.0;
+      cvatom[i][2] = 0.0;
+      cvatom[i][3] = 0.0;
+      cvatom[i][4] = 0.0;
+      cvatom[i][5] = 0.0;
+      cvatom[i][6] = 0.0;
+      cvatom[i][7] = 0.0;
+      cvatom[i][8] = 0.0;
+      cvatom[i][9] = 0.0;
+    }
+  }
 }
 
 /* ----------------------------------------------------------------------
@@ -250,6 +276,95 @@ void Improper::ev_tally(int i1, int i2, int i3, int i4,
       }
     }
   }
+
+  // per-atom centroid virial
+  if (cvflag_atom) {
+
+    // r0 = (r1+r2+r3+r4)/4
+    // rij = ri-rj
+    // total virial = r10*f1 + r20*f2 + r30*f3 + r40*f4
+    // vb1: r12
+    // vb2: r32
+    // vb3: r43
+
+    if (newton_bond || i1 < nlocal) {
+      double a1[3];
+
+      // a1 = r10 = (3*r12 - 2*r32 -   r43)/4
+      a1[0] = 0.25*(3*vb1x - 2*vb2x - vb3x);
+      a1[1] = 0.25*(3*vb1y - 2*vb2y - vb3y);
+      a1[2] = 0.25*(3*vb1z - 2*vb2z - vb3z);
+
+      cvatom[i1][0] += a1[0]*f1[0];
+      cvatom[i1][1] += a1[1]*f1[1];
+      cvatom[i1][2] += a1[2]*f1[2];
+      cvatom[i1][3] += a1[0]*f1[1];
+      cvatom[i1][4] += a1[0]*f1[2];
+      cvatom[i1][5] += a1[1]*f1[2];
+      cvatom[i1][6] += a1[1]*f1[0];
+      cvatom[i1][7] += a1[2]*f1[0];
+      cvatom[i1][8] += a1[2]*f1[1];
+    }
+    if (newton_bond || i2 < nlocal) {
+      double a2[3];
+      double f2[3];
+
+      // a2 = r20 = ( -r12 - 2*r32 -   r43)/4
+      a2[0] = 0.25*(-vb1x - 2*vb2x - vb3x);
+      a2[1] = 0.25*(-vb1y - 2*vb2y - vb3y);
+      a2[2] = 0.25*(-vb1z - 2*vb2z - vb3z);
+
+      f2[0] = - f1[0] - f3[0] - f4[0];
+      f2[1] = - f1[1] - f3[1] - f4[1];
+      f2[2] = - f1[2] - f3[2] - f4[2];
+
+      cvatom[i2][0] += a2[0]*f2[0];
+      cvatom[i2][1] += a2[1]*f2[1];
+      cvatom[i2][2] += a2[2]*f2[2];
+      cvatom[i2][3] += a2[0]*f2[1];
+      cvatom[i2][4] += a2[0]*f2[2];
+      cvatom[i2][5] += a2[1]*f2[2];
+      cvatom[i2][6] += a2[1]*f2[0];
+      cvatom[i2][7] += a2[2]*f2[0];
+      cvatom[i2][8] += a2[2]*f2[1];
+    }
+    if (newton_bond || i3 < nlocal) {
+      double a3[3];
+
+      // a3 = r30 = ( -r12 + 2*r32 -   r43)/4
+      a3[0] = 0.25*(-vb1x + 2*vb2x - vb3x);
+      a3[1] = 0.25*(-vb1y + 2*vb2y - vb3y);
+      a3[2] = 0.25*(-vb1z + 2*vb2z - vb3z);
+
+      cvatom[i3][0] += a3[0]*f3[0];
+      cvatom[i3][1] += a3[1]*f3[1];
+      cvatom[i3][2] += a3[2]*f3[2];
+      cvatom[i3][3] += a3[0]*f3[1];
+      cvatom[i3][4] += a3[0]*f3[2];
+      cvatom[i3][5] += a3[1]*f3[2];
+      cvatom[i3][6] += a3[1]*f3[0];
+      cvatom[i3][7] += a3[2]*f3[0];
+      cvatom[i3][8] += a3[2]*f3[1];
+    }
+    if (newton_bond || i4 < nlocal) {
+      double a4[3];
+
+      // a4 = r40 = ( -r12 + 2*r32 + 3*r43)/4
+      a4[0] = 0.25*(-vb1x + 2*vb2x + 3*vb3x);
+      a4[1] = 0.25*(-vb1y + 2*vb2y + 3*vb3y);
+      a4[2] = 0.25*(-vb1z + 2*vb2z + 3*vb3z);
+
+      cvatom[i4][0] += a4[0]*f4[0];
+      cvatom[i4][1] += a4[1]*f4[1];
+      cvatom[i4][2] += a4[2]*f4[2];
+      cvatom[i4][3] += a4[0]*f4[1];
+      cvatom[i4][4] += a4[0]*f4[2];
+      cvatom[i4][5] += a4[1]*f4[2];
+      cvatom[i4][6] += a4[1]*f4[0];
+      cvatom[i4][7] += a4[2]*f4[0];
+      cvatom[i4][8] += a4[2]*f4[1];
+    }
+  }
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/improper.h b/src/improper.h
index c30079bb5e..f3bed2607c 100644
--- a/src/improper.h
+++ b/src/improper.h
@@ -28,6 +28,7 @@ class Improper : protected Pointers {
   double energy;                  // accumulated energies
   double virial[6];               // accumulated virial
   double *eatom,**vatom;          // accumulated per-atom energy/virial
+  double **cvatom;                // accumulated per-atom centroid virial
 
   // KOKKOS host/device flag and data masks
 
@@ -54,12 +55,12 @@ class Improper : protected Pointers {
 
   int evflag;
   int eflag_either,eflag_global,eflag_atom;
-  int vflag_either,vflag_global,vflag_atom;
-  int maxeatom,maxvatom;
+  int vflag_either,vflag_global,vflag_atom,cvflag_atom;
+  int maxeatom,maxvatom,maxcvatom;
 
   void ev_init(int eflag, int vflag, int alloc = 1) {
     if (eflag||vflag) ev_setup(eflag, vflag, alloc);
-    else evflag = eflag_either = eflag_global = eflag_atom = vflag_either = vflag_global = vflag_atom = 0;
+    else evflag = eflag_either = eflag_global = eflag_atom = vflag_either = vflag_global = vflag_atom = cvflag_atom = 0;
   }
   void ev_setup(int, int, int alloc = 1);
   void ev_tally(int, int, int, int, int, int, double,
diff --git a/src/improper_hybrid.cpp b/src/improper_hybrid.cpp
index fe524b838a..69dfc2d9cd 100644
--- a/src/improper_hybrid.cpp
+++ b/src/improper_hybrid.cpp
@@ -129,6 +129,14 @@ void ImproperHybrid::compute(int eflag, int vflag)
         for (j = 0; j < 6; j++)
           vatom[i][j] += vatom_substyle[i][j];
     }
+    if (cvflag_atom) {
+      n = atom->nlocal;
+      if (force->newton_bond) n += atom->nghost;
+      double **cvatom_substyle = styles[m]->cvatom;
+      for (i = 0; i < n; i++)
+        for (j = 0; j < 9; j++)
+          cvatom[i][j] += cvatom_substyle[i][j];
+    }
   }
 
   // restore ptrs to original improperlist
@@ -344,6 +352,7 @@ double ImproperHybrid::memory_usage()
 {
   double bytes = maxeatom * sizeof(double);
   bytes += maxvatom*6 * sizeof(double);
+  bytes += maxcvatom*9 * sizeof(double);
   for (int m = 0; m < nstyles; m++) bytes += maximproper[m]*5 * sizeof(int);
   for (int m = 0; m < nstyles; m++)
     if (styles[m]) bytes += styles[m]->memory_usage();
diff --git a/src/integrate.cpp b/src/integrate.cpp
index 545de849d5..1f50ff76c5 100644
--- a/src/integrate.cpp
+++ b/src/integrate.cpp
@@ -26,7 +26,7 @@ using namespace LAMMPS_NS;
 Integrate::Integrate(LAMMPS *lmp, int /*narg*/, char **/*arg*/) : Pointers(lmp)
 {
   elist_global = elist_atom = NULL;
-  vlist_global = vlist_atom = NULL;
+  vlist_global = vlist_atom = cvlist_atom = NULL;
   external_force_clear = 0;
 }
 
@@ -38,6 +38,7 @@ Integrate::~Integrate()
   delete [] elist_atom;
   delete [] vlist_global;
   delete [] vlist_atom;
+  delete [] cvlist_atom;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -72,25 +73,28 @@ void Integrate::ev_setup()
   delete [] elist_atom;
   delete [] vlist_global;
   delete [] vlist_atom;
+  delete [] cvlist_atom;
   elist_global = elist_atom = NULL;
-  vlist_global = vlist_atom = NULL;
+  vlist_global = vlist_atom = cvlist_atom = NULL;
 
   nelist_global = nelist_atom = 0;
-  nvlist_global = nvlist_atom = 0;
+  nvlist_global = nvlist_atom = ncvlist_atom = 0;
   for (int i = 0; i < modify->ncompute; i++) {
     if (modify->compute[i]->peflag) nelist_global++;
     if (modify->compute[i]->peatomflag) nelist_atom++;
     if (modify->compute[i]->pressflag) nvlist_global++;
-    if (modify->compute[i]->pressatomflag) nvlist_atom++;
+    if (modify->compute[i]->pressatomflag & 1) nvlist_atom++;
+    if (modify->compute[i]->pressatomflag & 2) ncvlist_atom++;
   }
 
   if (nelist_global) elist_global = new Compute*[nelist_global];
   if (nelist_atom) elist_atom = new Compute*[nelist_atom];
   if (nvlist_global) vlist_global = new Compute*[nvlist_global];
   if (nvlist_atom) vlist_atom = new Compute*[nvlist_atom];
+  if (ncvlist_atom) cvlist_atom = new Compute*[ncvlist_atom];
 
   nelist_global = nelist_atom = 0;
-  nvlist_global = nvlist_atom = 0;
+  nvlist_global = nvlist_atom = ncvlist_atom = 0;
   for (int i = 0; i < modify->ncompute; i++) {
     if (modify->compute[i]->peflag)
       elist_global[nelist_global++] = modify->compute[i];
@@ -98,8 +102,10 @@ void Integrate::ev_setup()
       elist_atom[nelist_atom++] = modify->compute[i];
     if (modify->compute[i]->pressflag)
       vlist_global[nvlist_global++] = modify->compute[i];
-    if (modify->compute[i]->pressatomflag)
+    if (modify->compute[i]->pressatomflag & 1)
       vlist_atom[nvlist_atom++] = modify->compute[i];
+    if (modify->compute[i]->pressatomflag & 2)
+      cvlist_atom[ncvlist_atom++] = modify->compute[i];
   }
 }
 
@@ -116,6 +122,10 @@ void Integrate::ev_setup()
    vflag = 2 = global virial with pair portion via F dot r including ghosts
    vflag = 4 = per-atom virial only
    vflag = 5 or 6 = both global and per-atom virial
+   vflag = 8 = per-atom centroid virial only
+   vflag = 9 or 10 = both global and per-atom centroid virial
+   vflag = 12 = both per-atom virial and per-atom centroid virial
+   vflag = 13 or 15 = global, per-atom virial and per-atom centroid virial
 ------------------------------------------------------------------------- */
 
 void Integrate::ev_set(bigint ntimestep)
@@ -150,7 +160,13 @@ void Integrate::ev_set(bigint ntimestep)
     if (vlist_atom[i]->matchstep(ntimestep)) flag = 1;
   if (flag) vflag_atom = 4;
 
+  flag = 0;
+  int cvflag_atom = 0;
+  for (i = 0; i < ncvlist_atom; i++)
+    if (cvlist_atom[i]->matchstep(ntimestep)) flag = 1;
+  if (flag) cvflag_atom = 8;
+
   if (vflag_global) update->vflag_global = ntimestep;
-  if (vflag_atom) update->vflag_atom = ntimestep;
-  vflag = vflag_global + vflag_atom;
+  if (vflag_atom || cvflag_atom) update->vflag_atom = ntimestep;
+  vflag = vflag_global + vflag_atom + cvflag_atom;
 }
diff --git a/src/integrate.h b/src/integrate.h
index 9a50fad1f7..f07faacbfa 100644
--- a/src/integrate.h
+++ b/src/integrate.h
@@ -36,11 +36,12 @@ class Integrate : protected Pointers {
   int external_force_clear;         // clear forces locally or externally
 
   int nelist_global,nelist_atom;    // # of PE,virial computes to check
-  int nvlist_global,nvlist_atom;
+  int nvlist_global,nvlist_atom,ncvlist_atom;
   class Compute **elist_global;     // lists of PE,virial Computes
   class Compute **elist_atom;
   class Compute **vlist_global;
   class Compute **vlist_atom;
+  class Compute **cvlist_atom;
 
   int pair_compute_flag;            // 0 if pair->compute is skipped
   int kspace_compute_flag;          // 0 if kspace->compute is skipped
diff --git a/src/library.h b/src/library.h
index ce5e983f2f..9e6c4f45f8 100644
--- a/src/library.h
+++ b/src/library.h
@@ -16,6 +16,14 @@
    new LAMMPS-specific functions can be added
 */
 
+/*
+ * Follow the behavior of regular LAMMPS compilation and assume
+ * -DLAMMPS_SMALLBIG when no define is set.
+ */
+#if !defined(LAMMPS_BIGBIG) && !defined(LAMMPS_SMALLBIG) && !defined(LAMMPS_SMALLSMALL)
+#define LAMMPS_SMALLBIG
+#endif
+
 #include <mpi.h>
 #if defined(LAMMPS_BIGBIG) || defined(LAMMPS_SMALLBIG)
 #include <inttypes.h>  /* for int64_t */
@@ -58,10 +66,10 @@ void lammps_gather_atoms_subset(void *, char *, int, int, int, int *, void *);
 void lammps_scatter_atoms(void *, char *, int, int, void *);
 void lammps_scatter_atoms_subset(void *, char *, int, int, int, int *, void *);
 
-#ifdef LAMMPS_BIGBIG
+#if defined(LAMMPS_BIGBIG)
 typedef void (*FixExternalFnPtr)(void *, int64_t, int, int64_t *, double **, double **);
 void lammps_set_fix_external_callback(void *, char *, FixExternalFnPtr, void*);
-#elif LAMMPS_SMALLBIG
+#elif defined(LAMMPS_SMALLBIG)
 typedef void (*FixExternalFnPtr)(void *, int64_t, int, int *, double **, double **);
 void lammps_set_fix_external_callback(void *, char *, FixExternalFnPtr, void*);
 #else
diff --git a/src/min.cpp b/src/min.cpp
index 3b60f2c2e6..003fd18b81 100644
--- a/src/min.cpp
+++ b/src/min.cpp
@@ -59,7 +59,7 @@ Min::Min(LAMMPS *lmp) : Pointers(lmp)
   normstyle = TWO;
 
   elist_global = elist_atom = NULL;
-  vlist_global = vlist_atom = NULL;
+  vlist_global = vlist_atom = cvlist_atom = NULL;
 
   nextra_global = 0;
   fextra = NULL;
@@ -83,6 +83,7 @@ Min::~Min()
   delete [] elist_atom;
   delete [] vlist_global;
   delete [] vlist_atom;
+  delete [] cvlist_atom;
 
   delete [] fextra;
 
@@ -691,25 +692,28 @@ void Min::ev_setup()
   delete [] elist_atom;
   delete [] vlist_global;
   delete [] vlist_atom;
+  delete [] cvlist_atom;
   elist_global = elist_atom = NULL;
-  vlist_global = vlist_atom = NULL;
+  vlist_global = vlist_atom = cvlist_atom = NULL;
 
   nelist_global = nelist_atom = 0;
-  nvlist_global = nvlist_atom = 0;
+  nvlist_global = nvlist_atom = ncvlist_atom = 0;
   for (int i = 0; i < modify->ncompute; i++) {
     if (modify->compute[i]->peflag) nelist_global++;
     if (modify->compute[i]->peatomflag) nelist_atom++;
     if (modify->compute[i]->pressflag) nvlist_global++;
-    if (modify->compute[i]->pressatomflag) nvlist_atom++;
+    if (modify->compute[i]->pressatomflag & 1) nvlist_atom++;
+    if (modify->compute[i]->pressatomflag & 2) ncvlist_atom++;
   }
 
   if (nelist_global) elist_global = new Compute*[nelist_global];
   if (nelist_atom) elist_atom = new Compute*[nelist_atom];
   if (nvlist_global) vlist_global = new Compute*[nvlist_global];
   if (nvlist_atom) vlist_atom = new Compute*[nvlist_atom];
+  if (ncvlist_atom) cvlist_atom = new Compute*[ncvlist_atom];
 
   nelist_global = nelist_atom = 0;
-  nvlist_global = nvlist_atom = 0;
+  nvlist_global = nvlist_atom = ncvlist_atom = 0;
   for (int i = 0; i < modify->ncompute; i++) {
     if (modify->compute[i]->peflag)
       elist_global[nelist_global++] = modify->compute[i];
@@ -717,8 +721,10 @@ void Min::ev_setup()
       elist_atom[nelist_atom++] = modify->compute[i];
     if (modify->compute[i]->pressflag)
       vlist_global[nvlist_global++] = modify->compute[i];
-    if (modify->compute[i]->pressatomflag)
+    if (modify->compute[i]->pressatomflag & 1)
       vlist_atom[nvlist_atom++] = modify->compute[i];
+    if (modify->compute[i]->pressatomflag & 2)
+      cvlist_atom[ncvlist_atom++] = modify->compute[i];
   }
 }
 
@@ -736,6 +742,10 @@ void Min::ev_setup()
    vflag = 2 = global virial with pair portion via F dot r including ghosts
    vflag = 4 = per-atom virial only
    vflag = 5 or 6 = both global and per-atom virial
+   vflag = 8 = per-atom centroid virial only
+   vflag = 9 or 10 = both global and per-atom centroid virial
+   vflag = 12 = both per-atom virial and per-atom centroid virial
+   vflag = 13 or 15 = global, per-atom virial and per-atom centroid virial
 ------------------------------------------------------------------------- */
 
 void Min::ev_set(bigint ntimestep)
@@ -768,9 +778,15 @@ void Min::ev_set(bigint ntimestep)
     if (vlist_atom[i]->matchstep(ntimestep)) flag = 1;
   if (flag) vflag_atom = 4;
 
+  flag = 0;
+  int cvflag_atom = 0;
+  for (i = 0; i < ncvlist_atom; i++)
+    if (cvlist_atom[i]->matchstep(ntimestep)) flag = 1;
+  if (flag) cvflag_atom = 8;
+
   if (vflag_global) update->vflag_global = update->ntimestep;
-  if (vflag_atom) update->vflag_atom = update->ntimestep;
-  vflag = vflag_global + vflag_atom;
+  if (vflag_atom || cvflag_atom) update->vflag_atom = update->ntimestep;
+  vflag = vflag_global + vflag_atom + cvflag_atom;
 }
 
 /* ----------------------------------------------------------------------
diff --git a/src/min.h b/src/min.h
index 874c7b773d..fe7f0be8c6 100644
--- a/src/min.h
+++ b/src/min.h
@@ -71,11 +71,12 @@ class Min : protected Pointers {
   int normstyle;                // TWO, MAX or INF flag for force norm evaluation
 
   int nelist_global,nelist_atom;    // # of PE,virial computes to check
-  int nvlist_global,nvlist_atom;
+  int nvlist_global,nvlist_atom,ncvlist_atom;
   class Compute **elist_global;     // lists of PE,virial Computes
   class Compute **elist_atom;
   class Compute **vlist_global;
   class Compute **vlist_atom;
+  class Compute **cvlist_atom;
 
   int triclinic;              // 0 if domain is orthog, 1 if triclinic
   int pairflag;
diff --git a/src/pair.cpp b/src/pair.cpp
index 7c8424ce18..0cedc18620 100644
--- a/src/pair.cpp
+++ b/src/pair.cpp
@@ -72,6 +72,7 @@ Pair::Pair(LAMMPS *lmp) : Pointers(lmp)
 
   ewaldflag = pppmflag = msmflag = dispersionflag = tip4pflag = dipoleflag = spinflag = 0;
   reinitflag = 1;
+  centroidstressflag = 4;
 
   // pair_modify settings
 
@@ -91,9 +92,10 @@ Pair::Pair(LAMMPS *lmp) : Pointers(lmp)
   allocated = 0;
   suffix_flag = Suffix::NONE;
 
-  maxeatom = maxvatom = 0;
+  maxeatom = maxvatom = maxcvatom = 0;
   eatom = NULL;
   vatom = NULL;
+  cvatom = NULL;
 
   num_tally_compute = 0;
   list_tally_compute = NULL;
@@ -122,6 +124,7 @@ Pair::~Pair()
 
   memory->destroy(eatom);
   memory->destroy(vatom);
+  memory->destroy(cvatom);
 }
 
 /* ----------------------------------------------------------------------
@@ -779,9 +782,21 @@ void Pair::ev_setup(int eflag, int vflag, int alloc)
   eflag_global = eflag % 2;
   eflag_atom = eflag / 2;
 
-  vflag_either = vflag;
   vflag_global = vflag % 4;
-  vflag_atom = vflag / 4;
+  vflag_atom = vflag & 4;
+  cvflag_atom = 0;
+
+  if (vflag & 8) {
+    if (centroidstressflag & 2) {
+      cvflag_atom = 1;
+    } else {
+      vflag_atom = 1;
+    }
+    // extra check, because both bits might be set
+    if (centroidstressflag & 1) vflag_atom = 1;
+  }
+
+  vflag_either = vflag_global || vflag_atom;
 
   // reallocate per-atom arrays if necessary
 
@@ -799,6 +814,13 @@ void Pair::ev_setup(int eflag, int vflag, int alloc)
       memory->create(vatom,comm->nthreads*maxvatom,6,"pair:vatom");
     }
   }
+  if (cvflag_atom && atom->nmax > maxcvatom) {
+    maxcvatom = atom->nmax;
+    if (alloc) {
+      memory->destroy(cvatom);
+      memory->create(cvatom,comm->nthreads*maxcvatom,9,"pair:cvatom");
+    }
+  }
 
   // zero accumulators
   // use force->newton instead of newton_pair
@@ -823,6 +845,22 @@ void Pair::ev_setup(int eflag, int vflag, int alloc)
       vatom[i][5] = 0.0;
     }
   }
+  if (cvflag_atom && alloc) {
+    n = atom->nlocal;
+    if (force->newton) n += atom->nghost;
+    for (i = 0; i < n; i++) {
+      cvatom[i][0] = 0.0;
+      cvatom[i][1] = 0.0;
+      cvatom[i][2] = 0.0;
+      cvatom[i][3] = 0.0;
+      cvatom[i][4] = 0.0;
+      cvatom[i][5] = 0.0;
+      cvatom[i][6] = 0.0;
+      cvatom[i][7] = 0.0;
+      cvatom[i][8] = 0.0;
+      cvatom[i][9] = 0.0;
+    }
+  }
 
   // if vflag_global = 2 and pair::compute() calls virial_fdotr_compute()
   // compute global virial via (F dot r) instead of via pairwise summation
@@ -831,7 +869,7 @@ void Pair::ev_setup(int eflag, int vflag, int alloc)
   if (vflag_global == 2 && no_virial_fdotr_compute == 0) {
     vflag_fdotr = 1;
     vflag_global = 0;
-    if (vflag_atom == 0) vflag_either = 0;
+    if (vflag_atom == 0 && cvflag_atom == 0) vflag_either = 0;
     if (vflag_either == 0 && eflag_either == 0) evflag = 0;
   } else vflag_fdotr = 0;
 
@@ -863,6 +901,7 @@ void Pair::ev_unset()
   vflag_either = 0;
   vflag_global = 0;
   vflag_atom = 0;
+  cvflag_atom = 0;
   vflag_fdotr = 0;
 }
 
@@ -1760,6 +1799,7 @@ double Pair::memory_usage()
 {
   double bytes = comm->nthreads*maxeatom * sizeof(double);
   bytes += comm->nthreads*maxvatom*6 * sizeof(double);
+  bytes += comm->nthreads*maxcvatom*9 * sizeof(double);
   return bytes;
 }
 
diff --git a/src/pair.h b/src/pair.h
index a0269bd5b2..0aa48761ee 100644
--- a/src/pair.h
+++ b/src/pair.h
@@ -36,6 +36,7 @@ class Pair : protected Pointers {
   double eng_vdwl,eng_coul;      // accumulated energies
   double virial[6];              // accumulated virial
   double *eatom,**vatom;         // accumulated per-atom energy/virial
+  double **cvatom;               // accumulated per-atom centroid virial
 
   double cutforce;               // max cutoff for all atom pairs
   double **cutsq;                // cutoff sq for each atom pair
@@ -65,13 +66,18 @@ class Pair : protected Pointers {
   int spinflag;                  // 1 if compatible with spin solver
   int reinitflag;                // 1 if compatible with fix adapt and alike
 
+  int centroidstressflag;        // compatibility with centroid atomic stress
+                                 // 1 if same as two-body atomic stress
+                                 // 2 if implemented and different from two-body
+                                 // 4 if not compatible/implemented
+
   int tail_flag;                 // pair_modify flag for LJ tail correction
   double etail,ptail;            // energy/pressure tail corrections
   double etail_ij,ptail_ij;
 
   int evflag;                    // energy,virial settings
   int eflag_either,eflag_global,eflag_atom;
-  int vflag_either,vflag_global,vflag_atom;
+  int vflag_either,vflag_global,vflag_atom,cvflag_atom;
 
   int ncoultablebits;            // size of Coulomb table, accessed by KSpace
   int ndisptablebits;            // size of dispersion table
@@ -229,7 +235,7 @@ class Pair : protected Pointers {
 
  protected:
   int vflag_fdotr;
-  int maxeatom,maxvatom;
+  int maxeatom,maxvatom,maxcvatom;
 
   int copymode;   // if set, do not deallocate during destruction
                   // required when classes are used as functors by Kokkos
diff --git a/src/pair_beck.cpp b/src/pair_beck.cpp
index 1f058b9bd5..31dd2ef62f 100644
--- a/src/pair_beck.cpp
+++ b/src/pair_beck.cpp
@@ -32,7 +32,9 @@ using namespace MathSpecial;
 
 /* ---------------------------------------------------------------------- */
 
-PairBeck::PairBeck(LAMMPS *lmp) : Pair(lmp) {}
+PairBeck::PairBeck(LAMMPS *lmp) : Pair(lmp) {
+  centroidstressflag = 1;
+}
 
 /* ---------------------------------------------------------------------- */
 
diff --git a/src/pair_buck.cpp b/src/pair_buck.cpp
index 4a7740e034..6fc1c782e0 100644
--- a/src/pair_buck.cpp
+++ b/src/pair_buck.cpp
@@ -32,6 +32,7 @@ using namespace MathConst;
 PairBuck::PairBuck(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
+  centroidstressflag = 1;
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/pair_buck_coul_cut.cpp b/src/pair_buck_coul_cut.cpp
index d74945aa57..ed0fb1fef8 100644
--- a/src/pair_buck_coul_cut.cpp
+++ b/src/pair_buck_coul_cut.cpp
@@ -36,6 +36,7 @@ using namespace MathConst;
 PairBuckCoulCut::PairBuckCoulCut(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
+  centroidstressflag = 1;
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/pair_coul_cut.cpp b/src/pair_coul_cut.cpp
index ebb3d8ca0d..a197955085 100644
--- a/src/pair_coul_cut.cpp
+++ b/src/pair_coul_cut.cpp
@@ -28,7 +28,9 @@ using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
 
-PairCoulCut::PairCoulCut(LAMMPS *lmp) : Pair(lmp) {}
+PairCoulCut::PairCoulCut(LAMMPS *lmp) : Pair(lmp) {
+  centroidstressflag = 1;
+}
 
 /* ---------------------------------------------------------------------- */
 
diff --git a/src/pair_coul_dsf.cpp b/src/pair_coul_dsf.cpp
index 0a248e3084..a21bf61afb 100644
--- a/src/pair_coul_dsf.cpp
+++ b/src/pair_coul_dsf.cpp
@@ -43,7 +43,9 @@ using namespace MathConst;
 
 /* ---------------------------------------------------------------------- */
 
-PairCoulDSF::PairCoulDSF(LAMMPS *lmp) : Pair(lmp) {}
+PairCoulDSF::PairCoulDSF(LAMMPS *lmp) : Pair(lmp) {
+  centroidstressflag = 1;
+}
 
 /* ---------------------------------------------------------------------- */
 
diff --git a/src/pair_coul_wolf.cpp b/src/pair_coul_wolf.cpp
index 9c48137270..b34877f508 100644
--- a/src/pair_coul_wolf.cpp
+++ b/src/pair_coul_wolf.cpp
@@ -36,6 +36,7 @@ using namespace MathConst;
 PairCoulWolf::PairCoulWolf(LAMMPS *lmp) : Pair(lmp)
 {
   single_enable = 0;        // NOTE: single() method below is not yet correct
+  centroidstressflag = 1;
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/pair_hybrid.cpp b/src/pair_hybrid.cpp
index b853ef1db1..eb9423aa57 100644
--- a/src/pair_hybrid.cpp
+++ b/src/pair_hybrid.cpp
@@ -40,6 +40,10 @@ PairHybrid::PairHybrid(LAMMPS *lmp) : Pair(lmp),
 
   outerflag = 0;
   respaflag = 0;
+
+  // assume pair hybrid always supports centroid atomic stress,
+  // so that cflag_atom gets set when needed
+  centroidstressflag = 2;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -159,6 +163,27 @@ void PairHybrid::compute(int eflag, int vflag)
         for (j = 0; j < 6; j++)
           vatom[i][j] += vatom_substyle[i][j];
     }
+    if (cvflag_atom) {
+      n = atom->nlocal;
+      if (force->newton_pair) n += atom->nghost;
+      if (styles[m]->centroidstressflag & 2) {
+        double **cvatom_substyle = styles[m]->cvatom;
+        for (i = 0; i < n; i++)
+          for (j = 0; j < 9; j++)
+            cvatom[i][j] += cvatom_substyle[i][j];
+      } else {
+        double **vatom_substyle = styles[m]->vatom;
+        for (i = 0; i < n; i++) {
+          for (j = 0; j < 6; j++) {
+            cvatom[i][j] += vatom_substyle[i][j];
+          }
+          for (j = 6; j < 9; j++) {
+            cvatom[i][j] += vatom_substyle[i][j-3];
+          }
+        }
+      }
+    }
+
   }
 
   delete [] saved_special;
@@ -362,6 +387,7 @@ void PairHybrid::flags()
     if (styles[m]->dispersionflag) dispersionflag = 1;
     if (styles[m]->tip4pflag) tip4pflag = 1;
     if (styles[m]->compute_flag) compute_flag = 1;
+    if (styles[m]->centroidstressflag & 4) centroidstressflag |= 4;
   }
   init_svector();
 }
@@ -1015,6 +1041,7 @@ double PairHybrid::memory_usage()
 {
   double bytes = maxeatom * sizeof(double);
   bytes += maxvatom*6 * sizeof(double);
+  bytes += maxcvatom*9 * sizeof(double);
   for (int m = 0; m < nstyles; m++) bytes += styles[m]->memory_usage();
   return bytes;
 }
diff --git a/src/pair_lj_cubic.cpp b/src/pair_lj_cubic.cpp
index 98f221b689..2af308b2f0 100644
--- a/src/pair_lj_cubic.cpp
+++ b/src/pair_lj_cubic.cpp
@@ -32,7 +32,9 @@ using namespace PairLJCubicConstants;
 
 /* ---------------------------------------------------------------------- */
 
-PairLJCubic::PairLJCubic(LAMMPS *lmp) : Pair(lmp) {}
+PairLJCubic::PairLJCubic(LAMMPS *lmp) : Pair(lmp) {
+  centroidstressflag = 1;
+}
 
 /* ---------------------------------------------------------------------- */
 
diff --git a/src/pair_lj_cut.cpp b/src/pair_lj_cut.cpp
index 8765ba4313..e31e275a7d 100644
--- a/src/pair_lj_cut.cpp
+++ b/src/pair_lj_cut.cpp
@@ -41,6 +41,7 @@ PairLJCut::PairLJCut(LAMMPS *lmp) : Pair(lmp)
 {
   respa_enable = 1;
   writedata = 1;
+  centroidstressflag = 1;
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/pair_lj_cut_coul_cut.cpp b/src/pair_lj_cut_coul_cut.cpp
index 621148dc9b..7f0f89a5bf 100644
--- a/src/pair_lj_cut_coul_cut.cpp
+++ b/src/pair_lj_cut_coul_cut.cpp
@@ -33,6 +33,7 @@ using namespace MathConst;
 PairLJCutCoulCut::PairLJCutCoulCut(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
+  centroidstressflag = 1;
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/pair_lj_cut_coul_dsf.cpp b/src/pair_lj_cut_coul_dsf.cpp
index 3b78b8ad1d..9dc6c001f4 100644
--- a/src/pair_lj_cut_coul_dsf.cpp
+++ b/src/pair_lj_cut_coul_dsf.cpp
@@ -46,6 +46,7 @@ using namespace MathConst;
 PairLJCutCoulDSF::PairLJCutCoulDSF(LAMMPS *lmp) : Pair(lmp)
 {
   single_enable = 0;
+  centroidstressflag = 1;
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/pair_lj_cut_coul_wolf.cpp b/src/pair_lj_cut_coul_wolf.cpp
index b4eaa070a7..c69e90f28b 100644
--- a/src/pair_lj_cut_coul_wolf.cpp
+++ b/src/pair_lj_cut_coul_wolf.cpp
@@ -37,6 +37,7 @@ PairLJCutCoulWolf::PairLJCutCoulWolf(LAMMPS *lmp) : Pair(lmp)
 {
   single_enable = 0;
   writedata = 1;
+  centroidstressflag = 1;
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/pair_lj_expand.cpp b/src/pair_lj_expand.cpp
index 16c8d586a2..98c8a808e2 100644
--- a/src/pair_lj_expand.cpp
+++ b/src/pair_lj_expand.cpp
@@ -32,6 +32,7 @@ using namespace MathConst;
 PairLJExpand::PairLJExpand(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
+  centroidstressflag = 1;
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/pair_lj_gromacs_coul_gromacs.cpp b/src/pair_lj_gromacs_coul_gromacs.cpp
index 53b62bfdbd..a5663ecfd8 100644
--- a/src/pair_lj_gromacs_coul_gromacs.cpp
+++ b/src/pair_lj_gromacs_coul_gromacs.cpp
@@ -34,6 +34,7 @@ using namespace LAMMPS_NS;
 PairLJGromacsCoulGromacs::PairLJGromacsCoulGromacs(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
+  centroidstressflag = 1;
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/pair_lj_smooth.cpp b/src/pair_lj_smooth.cpp
index 8c906dee46..bf97a44732 100644
--- a/src/pair_lj_smooth.cpp
+++ b/src/pair_lj_smooth.cpp
@@ -33,6 +33,7 @@ using namespace LAMMPS_NS;
 PairLJSmooth::PairLJSmooth(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
+  centroidstressflag = 1;
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/pair_lj_smooth_linear.cpp b/src/pair_lj_smooth_linear.cpp
index 16d5e96c12..19e84f971d 100644
--- a/src/pair_lj_smooth_linear.cpp
+++ b/src/pair_lj_smooth_linear.cpp
@@ -32,6 +32,7 @@ using namespace LAMMPS_NS;
 
 PairLJSmoothLinear::PairLJSmoothLinear(LAMMPS *lmp) : Pair(lmp) {
   single_hessian_enable = 1;
+  centroidstressflag = 1;
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/pair_morse.cpp b/src/pair_morse.cpp
index 86f0e34bf8..b883036c18 100644
--- a/src/pair_morse.cpp
+++ b/src/pair_morse.cpp
@@ -30,6 +30,7 @@ using namespace LAMMPS_NS;
 PairMorse::PairMorse(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
+  centroidstressflag = 1;
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/pair_ufm.cpp b/src/pair_ufm.cpp
index ba3ad9ee50..dd5bd078a3 100644
--- a/src/pair_ufm.cpp
+++ b/src/pair_ufm.cpp
@@ -36,6 +36,7 @@ using namespace LAMMPS_NS;
 PairUFM::PairUFM(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
+  centroidstressflag = 1;
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/version.h b/src/version.h
index 9471c2b951..38ec3883bf 100644
--- a/src/version.h
+++ b/src/version.h
@@ -1 +1 @@
-#define LAMMPS_VERSION "30 Oct 2019"
+#define LAMMPS_VERSION "20 Nov 2019"