From 6571a84884961377c28329c827ad4e23fb080c25 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 9 Jul 2021 16:54:00 -0400 Subject: [PATCH] move some styles around --- doc/src/Packages_details.rst | 7 ++++ doc/src/angle_cosine_shift.rst | 2 +- doc/src/angle_cosine_shift_exp.rst | 2 +- doc/src/angle_dipole.rst | 6 ++- doc/src/angle_fourier.rst | 2 +- doc/src/angle_fourier_simple.rst | 2 +- doc/src/angle_gaussian.rst | 2 +- doc/src/angle_quartic.rst | 2 +- doc/src/bond_gaussian.rst | 2 +- doc/src/bond_harmonic_shift.rst | 2 +- doc/src/bond_harmonic_shift_cut.rst | 2 +- doc/src/bond_special.rst | 2 +- doc/src/dihedral_cosine_shift_exp.rst | 2 +- doc/src/dihedral_fourier.rst | 2 +- doc/src/dihedral_nharmonic.rst | 2 +- doc/src/dihedral_quadratic.rst | 2 +- doc/src/dihedral_spherical.rst | 2 +- doc/src/dihedral_table.rst | 2 +- doc/src/fix_addtorque.rst | 2 +- doc/src/fix_grem.rst | 4 +- doc/src/fix_smd.rst | 2 +- doc/src/improper_cossq.rst | 2 +- doc/src/improper_distance.rst | 2 +- doc/src/improper_fourier.rst | 2 +- doc/src/improper_ring.rst | 2 +- doc/src/improper_sqdistharm.rst | 2 +- doc/src/pair_list.rst | 2 +- doc/src/temper_grem.rst | 2 +- doc/src/temper_npt.rst | 2 +- .../addtorque/in.addtorque | 0 .../addtorque/log.9Nov16.addtorque.g++.1 | 0 .../addtorque/log.9Nov16.addtorque.g++.4 | 0 .../gle/data.h2o-quantum | 0 .../gle/data.h2o-smart | 0 .../gle/in.h2o-quantum | 0 .../{USER-MISC => PACKAGES}/gle/in.h2o-smart | 0 .../gle/log.h2o-quantum | 0 .../{USER-MISC => PACKAGES}/gle/log.h2o-smart | 0 .../{USER-MISC => PACKAGES}/gle/qt-300k.A | 0 .../{USER-MISC => PACKAGES}/gle/qt-300k.C | 0 examples/{USER-MISC => PACKAGES}/gle/smart.A | 0 examples/{USER-MISC => PACKAGES}/grem/README | 0 .../grem/lj-6rep/400/restart.init | 0 .../grem/lj-6rep/405/restart.init | 0 .../grem/lj-6rep/410/restart.init | 0 .../grem/lj-6rep/415/restart.init | 0 .../grem/lj-6rep/420/restart.init | 0 .../grem/lj-6rep/425/restart.init | 0 .../grem/lj-6rep/clean.sh | 0 .../grem/lj-6rep/double-re-short.py | 0 .../grem/lj-6rep/in.gREM | 0 .../grem/lj-6rep/run.sh | 0 .../grem/lj-6rep/walker.bkp | 0 .../grem/lj-single/in.gREM-npt | 0 .../grem/lj-single/in.gREM-nvt | 0 .../grem/lj-single/lj.data | 0 .../grem/lj-single/log.gREM-npt.9Nov16.g++.1 | 0 .../grem/lj-single/log.gREM-npt.9Nov16.g++.4 | 0 .../grem/lj-single/log.gREM-nvt.9Nov16.g++.1 | 0 .../grem/lj-single/log.gREM-nvt.9Nov16.g++.4 | 0 .../grem/lj-temper/0/lj.data | 0 .../grem/lj-temper/0/log.lammps.0 | 0 .../grem/lj-temper/1/lj.data | 0 .../grem/lj-temper/1/log.lammps.1 | 0 .../grem/lj-temper/2/lj.data | 0 .../grem/lj-temper/2/log.lammps.2 | 0 .../grem/lj-temper/3/lj.data | 0 .../grem/lj-temper/3/log.lammps.3 | 0 .../grem/lj-temper/in.gREM-temper | 0 examples/{USER-MISC => PACKAGES}/imd/README | 0 .../imd/bucky-plus-cnt-mol.psf | 0 .../imd/bucky_cnt_imd.vmd | 0 .../imd/data.bucky-plus-cnt | 0 .../imd/data.deca-ala-solv | 0 .../imd/deca-ala-solv.psf | 0 .../imd/deca-ala-solv_imd-demo.vmd | 0 .../{USER-MISC => PACKAGES}/imd/deca-ala.psf | 0 .../imd/deca-ala_imd-demo.vmd | 0 .../{USER-MISC => PACKAGES}/imd/falcon.tcl | 0 .../imd/in.bucky-plus-cnt | 0 .../imd/in.bucky-plus-cnt-gpu | 0 .../imd/in.deca-ala-solv-filter_imd | 0 .../imd/in.deca-ala-solv_imd | 0 .../imd/in.deca-ala_imd | 0 .../imd/in.deca-ala_imd-gpu | 0 .../{USER-MISC => PACKAGES}/imd/in.melt_imd | 0 .../imd/in.melt_imd-gpu | 0 examples/{USER-MISC => PACKAGES}/imd/melt.psf | 0 .../imd/melt_imd-demo.vmd | 0 .../{USER-MISC => PACKAGES}/srp/data.chain | 0 examples/{USER-MISC => PACKAGES}/srp/in.srp | 0 src/{USER-MISC => DIPOLE}/angle_dipole.cpp | 0 src/{USER-MISC => DIPOLE}/angle_dipole.h | 0 src/{USER-MISC => MISC}/bond_special.cpp | 0 src/{USER-MISC => MISC}/bond_special.h | 0 src/{USER-MISC => MISC}/fix_addtorque.cpp | 0 src/{USER-MISC => MISC}/fix_addtorque.h | 0 src/{USER-MISC => MISC}/fix_smd.cpp | 0 src/{USER-MISC => MISC}/fix_smd.h | 0 src/{USER-MISC => MISC}/pair_list.cpp | 0 src/{USER-MISC => MISC}/pair_list.h | 0 src/{USER-MISC => MISC}/pair_srp.cpp | 0 src/{USER-MISC => MISC}/pair_srp.h | 0 .../angle_cosine_shift.cpp | 0 .../angle_cosine_shift.h | 0 .../angle_cosine_shift_exp.cpp | 0 .../angle_cosine_shift_exp.h | 0 src/{USER-MISC => MOLECULE}/angle_fourier.cpp | 0 src/{USER-MISC => MOLECULE}/angle_fourier.h | 0 .../angle_fourier_simple.cpp | 0 .../angle_fourier_simple.h | 0 .../angle_gaussian.cpp | 0 src/{USER-MISC => MOLECULE}/angle_gaussian.h | 0 src/{USER-MISC => MOLECULE}/angle_quartic.cpp | 0 src/{USER-MISC => MOLECULE}/angle_quartic.h | 0 src/{USER-MISC => MOLECULE}/bond_gaussian.cpp | 0 src/{USER-MISC => MOLECULE}/bond_gaussian.h | 0 .../bond_harmonic_shift.cpp | 0 .../bond_harmonic_shift.h | 0 .../bond_harmonic_shift_cut.cpp | 0 .../bond_harmonic_shift_cut.h | 0 .../dihedral_cosine_shift_exp.cpp | 0 .../dihedral_cosine_shift_exp.h | 0 .../dihedral_fourier.cpp | 0 .../dihedral_fourier.h | 0 .../dihedral_nharmonic.cpp | 0 .../dihedral_nharmonic.h | 0 .../dihedral_quadratic.cpp | 0 .../dihedral_quadratic.h | 0 .../dihedral_spherical.cpp | 0 .../dihedral_spherical.h | 0 .../dihedral_table.cpp | 0 src/{USER-MISC => MOLECULE}/dihedral_table.h | 0 .../dihedral_table_cut.cpp | 0 .../dihedral_table_cut.h | 0 .../improper_cossq.cpp | 0 src/{USER-MISC => MOLECULE}/improper_cossq.h | 0 .../improper_distance.cpp | 0 .../improper_distance.h | 0 .../improper_fourier.cpp | 0 .../improper_fourier.h | 0 src/{USER-MISC => MOLECULE}/improper_ring.cpp | 0 src/{USER-MISC => MOLECULE}/improper_ring.h | 0 .../compute_pressure_grem.cpp | 0 .../compute_pressure_grem.h | 0 src/{USER-MISC => REPLICA}/fix_grem.cpp | 0 src/{USER-MISC => REPLICA}/fix_grem.h | 0 src/{USER-MISC => REPLICA}/temper_grem.cpp | 0 src/{USER-MISC => REPLICA}/temper_grem.h | 0 src/{USER-MISC => REPLICA}/temper_npt.cpp | 0 src/{USER-MISC => REPLICA}/temper_npt.h | 0 src/USER-MISC/README | 37 ------------------- 152 files changed, 39 insertions(+), 67 deletions(-) rename examples/{USER-MISC => PACKAGES}/addtorque/in.addtorque (100%) rename examples/{USER-MISC => PACKAGES}/addtorque/log.9Nov16.addtorque.g++.1 (100%) rename examples/{USER-MISC => PACKAGES}/addtorque/log.9Nov16.addtorque.g++.4 (100%) rename examples/{USER-MISC => PACKAGES}/gle/data.h2o-quantum (100%) rename examples/{USER-MISC => PACKAGES}/gle/data.h2o-smart (100%) rename examples/{USER-MISC => PACKAGES}/gle/in.h2o-quantum (100%) rename examples/{USER-MISC => PACKAGES}/gle/in.h2o-smart (100%) rename examples/{USER-MISC => PACKAGES}/gle/log.h2o-quantum (100%) rename examples/{USER-MISC => PACKAGES}/gle/log.h2o-smart (100%) rename examples/{USER-MISC => PACKAGES}/gle/qt-300k.A (100%) rename examples/{USER-MISC => PACKAGES}/gle/qt-300k.C (100%) rename examples/{USER-MISC => PACKAGES}/gle/smart.A (100%) rename examples/{USER-MISC => PACKAGES}/grem/README (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-6rep/400/restart.init (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-6rep/405/restart.init (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-6rep/410/restart.init (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-6rep/415/restart.init (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-6rep/420/restart.init (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-6rep/425/restart.init (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-6rep/clean.sh (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-6rep/double-re-short.py (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-6rep/in.gREM (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-6rep/run.sh (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-6rep/walker.bkp (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-single/in.gREM-npt (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-single/in.gREM-nvt (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-single/lj.data (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-single/log.gREM-npt.9Nov16.g++.1 (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-single/log.gREM-npt.9Nov16.g++.4 (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-single/log.gREM-nvt.9Nov16.g++.1 (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-single/log.gREM-nvt.9Nov16.g++.4 (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-temper/0/lj.data (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-temper/0/log.lammps.0 (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-temper/1/lj.data (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-temper/1/log.lammps.1 (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-temper/2/lj.data (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-temper/2/log.lammps.2 (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-temper/3/lj.data (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-temper/3/log.lammps.3 (100%) rename examples/{USER-MISC => PACKAGES}/grem/lj-temper/in.gREM-temper (100%) rename examples/{USER-MISC => PACKAGES}/imd/README (100%) rename examples/{USER-MISC => PACKAGES}/imd/bucky-plus-cnt-mol.psf (100%) rename examples/{USER-MISC => PACKAGES}/imd/bucky_cnt_imd.vmd (100%) rename examples/{USER-MISC => PACKAGES}/imd/data.bucky-plus-cnt (100%) rename examples/{USER-MISC => PACKAGES}/imd/data.deca-ala-solv (100%) rename examples/{USER-MISC => PACKAGES}/imd/deca-ala-solv.psf (100%) rename examples/{USER-MISC => PACKAGES}/imd/deca-ala-solv_imd-demo.vmd (100%) rename examples/{USER-MISC => PACKAGES}/imd/deca-ala.psf (100%) rename examples/{USER-MISC => PACKAGES}/imd/deca-ala_imd-demo.vmd (100%) rename examples/{USER-MISC => PACKAGES}/imd/falcon.tcl (100%) rename examples/{USER-MISC => PACKAGES}/imd/in.bucky-plus-cnt (100%) rename examples/{USER-MISC => PACKAGES}/imd/in.bucky-plus-cnt-gpu (100%) rename examples/{USER-MISC => PACKAGES}/imd/in.deca-ala-solv-filter_imd (100%) rename examples/{USER-MISC => PACKAGES}/imd/in.deca-ala-solv_imd (100%) rename examples/{USER-MISC => PACKAGES}/imd/in.deca-ala_imd (100%) rename examples/{USER-MISC => PACKAGES}/imd/in.deca-ala_imd-gpu (100%) rename examples/{USER-MISC => PACKAGES}/imd/in.melt_imd (100%) rename examples/{USER-MISC => PACKAGES}/imd/in.melt_imd-gpu (100%) rename examples/{USER-MISC => PACKAGES}/imd/melt.psf (100%) rename examples/{USER-MISC => PACKAGES}/imd/melt_imd-demo.vmd (100%) rename examples/{USER-MISC => PACKAGES}/srp/data.chain (100%) rename examples/{USER-MISC => PACKAGES}/srp/in.srp (100%) rename src/{USER-MISC => DIPOLE}/angle_dipole.cpp (100%) rename src/{USER-MISC => DIPOLE}/angle_dipole.h (100%) rename src/{USER-MISC => MISC}/bond_special.cpp (100%) rename src/{USER-MISC => MISC}/bond_special.h (100%) rename src/{USER-MISC => MISC}/fix_addtorque.cpp (100%) rename src/{USER-MISC => MISC}/fix_addtorque.h (100%) rename src/{USER-MISC => MISC}/fix_smd.cpp (100%) rename src/{USER-MISC => MISC}/fix_smd.h (100%) rename src/{USER-MISC => MISC}/pair_list.cpp (100%) rename src/{USER-MISC => MISC}/pair_list.h (100%) rename src/{USER-MISC => MISC}/pair_srp.cpp (100%) rename src/{USER-MISC => MISC}/pair_srp.h (100%) rename src/{USER-MISC => MOLECULE}/angle_cosine_shift.cpp (100%) rename src/{USER-MISC => MOLECULE}/angle_cosine_shift.h (100%) rename src/{USER-MISC => MOLECULE}/angle_cosine_shift_exp.cpp (100%) rename src/{USER-MISC => MOLECULE}/angle_cosine_shift_exp.h (100%) rename src/{USER-MISC => MOLECULE}/angle_fourier.cpp (100%) rename src/{USER-MISC => MOLECULE}/angle_fourier.h (100%) rename src/{USER-MISC => MOLECULE}/angle_fourier_simple.cpp (100%) rename src/{USER-MISC => MOLECULE}/angle_fourier_simple.h (100%) rename src/{USER-MISC => MOLECULE}/angle_gaussian.cpp (100%) rename src/{USER-MISC => MOLECULE}/angle_gaussian.h (100%) rename src/{USER-MISC => MOLECULE}/angle_quartic.cpp (100%) rename src/{USER-MISC => MOLECULE}/angle_quartic.h (100%) rename src/{USER-MISC => MOLECULE}/bond_gaussian.cpp (100%) rename src/{USER-MISC => MOLECULE}/bond_gaussian.h (100%) rename src/{USER-MISC => MOLECULE}/bond_harmonic_shift.cpp (100%) rename src/{USER-MISC => MOLECULE}/bond_harmonic_shift.h (100%) rename src/{USER-MISC => MOLECULE}/bond_harmonic_shift_cut.cpp (100%) rename src/{USER-MISC => MOLECULE}/bond_harmonic_shift_cut.h (100%) rename src/{USER-MISC => MOLECULE}/dihedral_cosine_shift_exp.cpp (100%) rename src/{USER-MISC => MOLECULE}/dihedral_cosine_shift_exp.h (100%) rename src/{USER-MISC => MOLECULE}/dihedral_fourier.cpp (100%) rename src/{USER-MISC => MOLECULE}/dihedral_fourier.h (100%) rename src/{USER-MISC => MOLECULE}/dihedral_nharmonic.cpp (100%) rename src/{USER-MISC => MOLECULE}/dihedral_nharmonic.h (100%) rename src/{USER-MISC => MOLECULE}/dihedral_quadratic.cpp (100%) rename src/{USER-MISC => MOLECULE}/dihedral_quadratic.h (100%) rename src/{USER-MISC => MOLECULE}/dihedral_spherical.cpp (100%) rename src/{USER-MISC => MOLECULE}/dihedral_spherical.h (100%) rename src/{USER-MISC => MOLECULE}/dihedral_table.cpp (100%) rename src/{USER-MISC => MOLECULE}/dihedral_table.h (100%) rename src/{USER-MISC => MOLECULE}/dihedral_table_cut.cpp (100%) rename src/{USER-MISC => MOLECULE}/dihedral_table_cut.h (100%) rename src/{USER-MISC => MOLECULE}/improper_cossq.cpp (100%) rename src/{USER-MISC => MOLECULE}/improper_cossq.h (100%) rename src/{USER-MISC => MOLECULE}/improper_distance.cpp (100%) rename src/{USER-MISC => MOLECULE}/improper_distance.h (100%) rename src/{USER-MISC => MOLECULE}/improper_fourier.cpp (100%) rename src/{USER-MISC => MOLECULE}/improper_fourier.h (100%) rename src/{USER-MISC => MOLECULE}/improper_ring.cpp (100%) rename src/{USER-MISC => MOLECULE}/improper_ring.h (100%) rename src/{USER-MISC => REPLICA}/compute_pressure_grem.cpp (100%) rename src/{USER-MISC => REPLICA}/compute_pressure_grem.h (100%) rename src/{USER-MISC => REPLICA}/fix_grem.cpp (100%) rename src/{USER-MISC => REPLICA}/fix_grem.h (100%) rename src/{USER-MISC => REPLICA}/temper_grem.cpp (100%) rename src/{USER-MISC => REPLICA}/temper_grem.h (100%) rename src/{USER-MISC => REPLICA}/temper_npt.cpp (100%) rename src/{USER-MISC => REPLICA}/temper_npt.h (100%) diff --git a/doc/src/Packages_details.rst b/doc/src/Packages_details.rst index d5bc72de75..5be013da4b 100644 --- a/doc/src/Packages_details.rst +++ b/doc/src/Packages_details.rst @@ -558,6 +558,7 @@ short-range or long-range interactions. * :doc:`pair_style lj/cut/dipole/cut ` * :doc:`pair_style lj/cut/dipole/long ` * :doc:`pair_style lj/long/dipole/long ` +* :doc: `angle_style dipole ` * examples/dipole ---------- @@ -1454,7 +1455,9 @@ listing, "ls src/MISC", to see the list of commands. **Supporting info:** * src/MISC: filenames -> commands +* :doc:`bond_style special ` * :doc:`compute ti ` +* :doc:`fix deposit ` * :doc:`fix evaporate ` * :doc:`fix imd ` * :doc:`fix oneway ` @@ -1462,6 +1465,7 @@ listing, "ls src/MISC", to see the list of commands. * :doc:`fix ttm ` * :doc:`fix thermal/conductivity ` * :doc:`fix viscosity ` +* :doc:`pair_style list ` * examples/KAPPA * examples/VISCOSITY * https://www.lammps.org/pictures.html#ttm @@ -2319,10 +2323,13 @@ another set. * :doc:`prd ` * :doc:`tad ` * :doc:`temper `, +* :doc:`temper/npt `, +* :doc:`temper/grem `, * :doc:`run_style verlet/split ` * examples/neb * examples/prd * examples/tad +* examples/PACKAGES/grem ---------- diff --git a/doc/src/angle_cosine_shift.rst b/doc/src/angle_cosine_shift.rst index 71bda194c7..a22f93b1d0 100644 --- a/doc/src/angle_cosine_shift.rst +++ b/doc/src/angle_cosine_shift.rst @@ -53,7 +53,7 @@ Restrictions """""""""""" This angle style can only be used if LAMMPS was built with the -USER-MISC package. +MOLECULE package. Related commands """""""""""""""" diff --git a/doc/src/angle_cosine_shift_exp.rst b/doc/src/angle_cosine_shift_exp.rst index 4ae4928751..72962abc1c 100644 --- a/doc/src/angle_cosine_shift_exp.rst +++ b/doc/src/angle_cosine_shift_exp.rst @@ -64,7 +64,7 @@ Restrictions """""""""""" This angle style can only be used if LAMMPS was built with the -USER-MISC package. See the :doc:`Build package ` doc +MOLECULE package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/angle_dipole.rst b/doc/src/angle_dipole.rst index 4dd8aadfb8..8aaed55132 100644 --- a/doc/src/angle_dipole.rst +++ b/doc/src/angle_dipole.rst @@ -88,7 +88,7 @@ Restrictions """""""""""" This angle style can only be used if LAMMPS was built with the -USER-MISC package. See the :doc:`Build package ` doc +DIPOLE package. See the :doc:`Build package ` doc page for more info. .. note:: @@ -106,7 +106,9 @@ page for more info. The :doc:`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. +.. note:: + + This angle style should **NOT** be used with fix shake. Related commands """""""""""""""" diff --git a/doc/src/angle_fourier.rst b/doc/src/angle_fourier.rst index ff9c42b79c..780ecd510c 100644 --- a/doc/src/angle_fourier.rst +++ b/doc/src/angle_fourier.rst @@ -50,7 +50,7 @@ Restrictions """""""""""" This angle style can only be used if LAMMPS was built with the -USER-MISC package. See the :doc:`Build package ` doc +MOLECULE package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/angle_fourier_simple.rst b/doc/src/angle_fourier_simple.rst index 8d367ff118..29a493a442 100644 --- a/doc/src/angle_fourier_simple.rst +++ b/doc/src/angle_fourier_simple.rst @@ -49,7 +49,7 @@ Restrictions """""""""""" This angle style can only be used if LAMMPS was built with the -USER-MISC package. See the :doc:`Build package ` doc +MOLECULE package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/angle_gaussian.rst b/doc/src/angle_gaussian.rst index 1caae3b20c..9f2964f5f7 100644 --- a/doc/src/angle_gaussian.rst +++ b/doc/src/angle_gaussian.rst @@ -49,7 +49,7 @@ Restrictions """""""""""" This angle style can only be used if LAMMPS was built with the -USER-MISC package. See the :doc:`Build package ` doc +MOLECULE package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/angle_quartic.rst b/doc/src/angle_quartic.rst index 6a163db396..e153faee73 100644 --- a/doc/src/angle_quartic.rst +++ b/doc/src/angle_quartic.rst @@ -57,7 +57,7 @@ Restrictions """""""""""" This angle style can only be used if LAMMPS was built with the -USER-MISC package. See the :doc:`Build package ` doc +MOLECULE package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/bond_gaussian.rst b/doc/src/bond_gaussian.rst index dc9bea1cce..369b9eac26 100644 --- a/doc/src/bond_gaussian.rst +++ b/doc/src/bond_gaussian.rst @@ -50,7 +50,7 @@ Restrictions """""""""""" This bond style can only be used if LAMMPS was built with the -USER-MISC package. See the :doc:`Build package ` doc +MOLECULE package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/bond_harmonic_shift.rst b/doc/src/bond_harmonic_shift.rst index 469c370969..24bbc98b83 100644 --- a/doc/src/bond_harmonic_shift.rst +++ b/doc/src/bond_harmonic_shift.rst @@ -56,7 +56,7 @@ Restrictions """""""""""" This bond style can only be used if LAMMPS was built with the -USER-MISC package. See the :doc:`Build package ` doc +MOLECULE package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/bond_harmonic_shift_cut.rst b/doc/src/bond_harmonic_shift_cut.rst index d0f44740b3..05fb245727 100644 --- a/doc/src/bond_harmonic_shift_cut.rst +++ b/doc/src/bond_harmonic_shift_cut.rst @@ -54,7 +54,7 @@ Restrictions """""""""""" This bond style can only be used if LAMMPS was built with the -USER-MISC package. See the :doc:`Build package ` doc +MOLECULE package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/bond_special.rst b/doc/src/bond_special.rst index d2423c9e23..cc11c41f11 100644 --- a/doc/src/bond_special.rst +++ b/doc/src/bond_special.rst @@ -86,7 +86,7 @@ Restrictions """""""""""" This bond style can only be used if LAMMPS was built with the -USER-MISC package. See the :doc:`Build package ` doc +MISC package. See the :doc:`Build package ` doc page for more info. This bond style requires the use of a :doc:`pair_style ` which diff --git a/doc/src/dihedral_cosine_shift_exp.rst b/doc/src/dihedral_cosine_shift_exp.rst index 1f0195df83..0bd0a8fa2f 100644 --- a/doc/src/dihedral_cosine_shift_exp.rst +++ b/doc/src/dihedral_cosine_shift_exp.rst @@ -64,7 +64,7 @@ Restrictions """""""""""" This dihedral style can only be used if LAMMPS was built with the -USER-MISC package. See the :doc:`Build package ` doc +MOLECULE package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/dihedral_fourier.rst b/doc/src/dihedral_fourier.rst index 31ec043ebe..7889b3c58f 100644 --- a/doc/src/dihedral_fourier.rst +++ b/doc/src/dihedral_fourier.rst @@ -55,7 +55,7 @@ Restrictions """""""""""" This angle style can only be used if LAMMPS was built with the -USER-MISC package. See the :doc:`Build package ` doc +MOLECULE package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/dihedral_nharmonic.rst b/doc/src/dihedral_nharmonic.rst index 85762ee6f2..06ae8be8a0 100644 --- a/doc/src/dihedral_nharmonic.rst +++ b/doc/src/dihedral_nharmonic.rst @@ -51,7 +51,7 @@ Restrictions """""""""""" This angle style can only be used if LAMMPS was built with the -USER-MISC package. See the :doc:`Build package ` doc +MOLECULE package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/dihedral_quadratic.rst b/doc/src/dihedral_quadratic.rst index 262a9c50b6..a776c953c1 100644 --- a/doc/src/dihedral_quadratic.rst +++ b/doc/src/dihedral_quadratic.rst @@ -56,7 +56,7 @@ Restrictions """""""""""" This angle style can only be used if LAMMPS was built with the -USER-MISC package. See the :doc:`Build package ` doc +MOLECULE package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/dihedral_spherical.rst b/doc/src/dihedral_spherical.rst index bba9f20289..9704bff1a8 100644 --- a/doc/src/dihedral_spherical.rst +++ b/doc/src/dihedral_spherical.rst @@ -89,7 +89,7 @@ Restrictions """""""""""" This dihedral style can only be used if LAMMPS was built with the -USER-MISC package. See the :doc:`Build package ` doc +MOLECULE package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/dihedral_table.rst b/doc/src/dihedral_table.rst index a456fecebd..7c08241458 100644 --- a/doc/src/dihedral_table.rst +++ b/doc/src/dihedral_table.rst @@ -245,7 +245,7 @@ Restrictions """""""""""" These dihedral styles can only be used if LAMMPS was built with the -USER-MISC package. See the :doc:`Build package ` doc +MOLECULE package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/fix_addtorque.rst b/doc/src/fix_addtorque.rst index fbb957e547..e03ed2b160 100644 --- a/doc/src/fix_addtorque.rst +++ b/doc/src/fix_addtorque.rst @@ -99,7 +99,7 @@ invoked by the :doc:`minimize ` command. Restrictions """""""""""" -This fix is part of the USER-MISC package. It is only enabled if +This fix is part of the MISC package. It is only enabled if LAMMPS was built with that package. See the :doc:`Build package ` doc page for more info. diff --git a/doc/src/fix_grem.rst b/doc/src/fix_grem.rst index 0dedda1e2e..8716fc8cd5 100644 --- a/doc/src/fix_grem.rst +++ b/doc/src/fix_grem.rst @@ -66,7 +66,7 @@ processors be on the order of the number of desired replicas. A 100-replica simulation would require at least 100 processors (1 per world at minimum). If many replicas are needed on a small number of processors, multi-replica runs can be run outside of LAMMPS. An -example of this can be found in examples/USER-MISC/grem and has no +example of this can be found in examples/PACKAGES/grem and has no limit on the number of replicas per processor. However, this is very inefficient and error prone and should be avoided if possible. @@ -100,7 +100,7 @@ fix is "intensive". Restrictions """""""""""" -This fix is part of the USER-MISC package. It is only enabled if +This fix is part of the REPLICA package. It is only enabled if LAMMPS was built with that package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/fix_smd.rst b/doc/src/fix_smd.rst index 8bf7c25478..f59a852be6 100644 --- a/doc/src/fix_smd.rst +++ b/doc/src/fix_smd.rst @@ -144,7 +144,7 @@ the :doc:`run ` command. This fix is not invoked during Restrictions """""""""""" -This fix is part of the USER-MISC package. It is only enabled if +This fix is part of the MISC package. It is only enabled if LAMMPS was built with that package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/improper_cossq.rst b/doc/src/improper_cossq.rst index a6281bc260..27cb6e5538 100644 --- a/doc/src/improper_cossq.rst +++ b/doc/src/improper_cossq.rst @@ -64,7 +64,7 @@ Restrictions """""""""""" This improper style can only be used if LAMMPS was built with the -USER-MISC package. See the :doc:`Build package ` doc +MOLECULE package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/improper_distance.rst b/doc/src/improper_distance.rst index 1486550c9f..545222e0a3 100644 --- a/doc/src/improper_distance.rst +++ b/doc/src/improper_distance.rst @@ -54,7 +54,7 @@ Restrictions """""""""""" This improper style can only be used if LAMMPS was built with the -USER-MISC package. See the :doc:`Build package ` doc +MOLECULE package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/improper_fourier.rst b/doc/src/improper_fourier.rst index 3c5b45ed69..5852a57038 100644 --- a/doc/src/improper_fourier.rst +++ b/doc/src/improper_fourier.rst @@ -60,7 +60,7 @@ Restrictions """""""""""" This angle style can only be used if LAMMPS was built with the -USER-MISC package. See the :doc:`Build package ` doc +MOLECULE package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/improper_ring.rst b/doc/src/improper_ring.rst index d67c999714..99eed00b90 100644 --- a/doc/src/improper_ring.rst +++ b/doc/src/improper_ring.rst @@ -72,7 +72,7 @@ Restrictions """""""""""" This improper style can only be used if LAMMPS was built with the -USER-MISC package. See the :doc:`Build package ` doc +MOLECULE package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/improper_sqdistharm.rst b/doc/src/improper_sqdistharm.rst index 09a661700f..43f824733e 100644 --- a/doc/src/improper_sqdistharm.rst +++ b/doc/src/improper_sqdistharm.rst @@ -49,7 +49,7 @@ Restrictions """""""""""" This improper style can only be used if LAMMPS was built with the -USER-MISC package. See the :doc:`Build package ` doc +MOLECULE package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/pair_list.rst b/doc/src/pair_list.rst index caa1506994..ea0ac282da 100644 --- a/doc/src/pair_list.rst +++ b/doc/src/pair_list.rst @@ -142,7 +142,7 @@ 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 +This style is part of the MISC package. It is only enabled if LAMMPS is build with that package. See the :doc:`Build package ` doc page on for more info. Related commands diff --git a/doc/src/temper_grem.rst b/doc/src/temper_grem.rst index c270c1a450..f45755da50 100644 --- a/doc/src/temper_grem.rst +++ b/doc/src/temper_grem.rst @@ -101,7 +101,7 @@ identical to :doc:`temper `. Restrictions """""""""""" -This command can only be used if LAMMPS was built with the USER-MISC +This command can only be used if LAMMPS was built with the REPLICA package. See the :doc:`Build package ` doc page for more info. diff --git a/doc/src/temper_npt.rst b/doc/src/temper_npt.rst index 8eaea05701..9c5ba242e9 100644 --- a/doc/src/temper_npt.rst +++ b/doc/src/temper_npt.rst @@ -51,7 +51,7 @@ on how the parallel tempering is handled in general. Restrictions """""""""""" -This command can only be used if LAMMPS was built with the USER-MISC +This command can only be used if LAMMPS was built with the REPLICA package. See the :doc:`Build package ` doc page for more info. diff --git a/examples/USER-MISC/addtorque/in.addtorque b/examples/PACKAGES/addtorque/in.addtorque similarity index 100% rename from examples/USER-MISC/addtorque/in.addtorque rename to examples/PACKAGES/addtorque/in.addtorque diff --git a/examples/USER-MISC/addtorque/log.9Nov16.addtorque.g++.1 b/examples/PACKAGES/addtorque/log.9Nov16.addtorque.g++.1 similarity index 100% rename from examples/USER-MISC/addtorque/log.9Nov16.addtorque.g++.1 rename to examples/PACKAGES/addtorque/log.9Nov16.addtorque.g++.1 diff --git a/examples/USER-MISC/addtorque/log.9Nov16.addtorque.g++.4 b/examples/PACKAGES/addtorque/log.9Nov16.addtorque.g++.4 similarity index 100% rename from examples/USER-MISC/addtorque/log.9Nov16.addtorque.g++.4 rename to examples/PACKAGES/addtorque/log.9Nov16.addtorque.g++.4 diff --git a/examples/USER-MISC/gle/data.h2o-quantum b/examples/PACKAGES/gle/data.h2o-quantum similarity index 100% rename from examples/USER-MISC/gle/data.h2o-quantum rename to examples/PACKAGES/gle/data.h2o-quantum diff --git a/examples/USER-MISC/gle/data.h2o-smart b/examples/PACKAGES/gle/data.h2o-smart similarity index 100% rename from examples/USER-MISC/gle/data.h2o-smart rename to examples/PACKAGES/gle/data.h2o-smart diff --git a/examples/USER-MISC/gle/in.h2o-quantum b/examples/PACKAGES/gle/in.h2o-quantum similarity index 100% rename from examples/USER-MISC/gle/in.h2o-quantum rename to examples/PACKAGES/gle/in.h2o-quantum diff --git a/examples/USER-MISC/gle/in.h2o-smart b/examples/PACKAGES/gle/in.h2o-smart similarity index 100% rename from examples/USER-MISC/gle/in.h2o-smart rename to examples/PACKAGES/gle/in.h2o-smart diff --git a/examples/USER-MISC/gle/log.h2o-quantum b/examples/PACKAGES/gle/log.h2o-quantum similarity index 100% rename from examples/USER-MISC/gle/log.h2o-quantum rename to examples/PACKAGES/gle/log.h2o-quantum diff --git a/examples/USER-MISC/gle/log.h2o-smart b/examples/PACKAGES/gle/log.h2o-smart similarity index 100% rename from examples/USER-MISC/gle/log.h2o-smart rename to examples/PACKAGES/gle/log.h2o-smart diff --git a/examples/USER-MISC/gle/qt-300k.A b/examples/PACKAGES/gle/qt-300k.A similarity index 100% rename from examples/USER-MISC/gle/qt-300k.A rename to examples/PACKAGES/gle/qt-300k.A diff --git a/examples/USER-MISC/gle/qt-300k.C b/examples/PACKAGES/gle/qt-300k.C similarity index 100% rename from examples/USER-MISC/gle/qt-300k.C rename to examples/PACKAGES/gle/qt-300k.C diff --git a/examples/USER-MISC/gle/smart.A b/examples/PACKAGES/gle/smart.A similarity index 100% rename from examples/USER-MISC/gle/smart.A rename to examples/PACKAGES/gle/smart.A diff --git a/examples/USER-MISC/grem/README b/examples/PACKAGES/grem/README similarity index 100% rename from examples/USER-MISC/grem/README rename to examples/PACKAGES/grem/README diff --git a/examples/USER-MISC/grem/lj-6rep/400/restart.init b/examples/PACKAGES/grem/lj-6rep/400/restart.init similarity index 100% rename from examples/USER-MISC/grem/lj-6rep/400/restart.init rename to examples/PACKAGES/grem/lj-6rep/400/restart.init diff --git a/examples/USER-MISC/grem/lj-6rep/405/restart.init b/examples/PACKAGES/grem/lj-6rep/405/restart.init similarity index 100% rename from examples/USER-MISC/grem/lj-6rep/405/restart.init rename to examples/PACKAGES/grem/lj-6rep/405/restart.init diff --git a/examples/USER-MISC/grem/lj-6rep/410/restart.init b/examples/PACKAGES/grem/lj-6rep/410/restart.init similarity index 100% rename from examples/USER-MISC/grem/lj-6rep/410/restart.init rename to examples/PACKAGES/grem/lj-6rep/410/restart.init diff --git a/examples/USER-MISC/grem/lj-6rep/415/restart.init b/examples/PACKAGES/grem/lj-6rep/415/restart.init similarity index 100% rename from examples/USER-MISC/grem/lj-6rep/415/restart.init rename to examples/PACKAGES/grem/lj-6rep/415/restart.init diff --git a/examples/USER-MISC/grem/lj-6rep/420/restart.init b/examples/PACKAGES/grem/lj-6rep/420/restart.init similarity index 100% rename from examples/USER-MISC/grem/lj-6rep/420/restart.init rename to examples/PACKAGES/grem/lj-6rep/420/restart.init diff --git a/examples/USER-MISC/grem/lj-6rep/425/restart.init b/examples/PACKAGES/grem/lj-6rep/425/restart.init similarity index 100% rename from examples/USER-MISC/grem/lj-6rep/425/restart.init rename to examples/PACKAGES/grem/lj-6rep/425/restart.init diff --git a/examples/USER-MISC/grem/lj-6rep/clean.sh b/examples/PACKAGES/grem/lj-6rep/clean.sh similarity index 100% rename from examples/USER-MISC/grem/lj-6rep/clean.sh rename to examples/PACKAGES/grem/lj-6rep/clean.sh diff --git a/examples/USER-MISC/grem/lj-6rep/double-re-short.py b/examples/PACKAGES/grem/lj-6rep/double-re-short.py similarity index 100% rename from examples/USER-MISC/grem/lj-6rep/double-re-short.py rename to examples/PACKAGES/grem/lj-6rep/double-re-short.py diff --git a/examples/USER-MISC/grem/lj-6rep/in.gREM b/examples/PACKAGES/grem/lj-6rep/in.gREM similarity index 100% rename from examples/USER-MISC/grem/lj-6rep/in.gREM rename to examples/PACKAGES/grem/lj-6rep/in.gREM diff --git a/examples/USER-MISC/grem/lj-6rep/run.sh b/examples/PACKAGES/grem/lj-6rep/run.sh similarity index 100% rename from examples/USER-MISC/grem/lj-6rep/run.sh rename to examples/PACKAGES/grem/lj-6rep/run.sh diff --git a/examples/USER-MISC/grem/lj-6rep/walker.bkp b/examples/PACKAGES/grem/lj-6rep/walker.bkp similarity index 100% rename from examples/USER-MISC/grem/lj-6rep/walker.bkp rename to examples/PACKAGES/grem/lj-6rep/walker.bkp diff --git a/examples/USER-MISC/grem/lj-single/in.gREM-npt b/examples/PACKAGES/grem/lj-single/in.gREM-npt similarity index 100% rename from examples/USER-MISC/grem/lj-single/in.gREM-npt rename to examples/PACKAGES/grem/lj-single/in.gREM-npt diff --git a/examples/USER-MISC/grem/lj-single/in.gREM-nvt b/examples/PACKAGES/grem/lj-single/in.gREM-nvt similarity index 100% rename from examples/USER-MISC/grem/lj-single/in.gREM-nvt rename to examples/PACKAGES/grem/lj-single/in.gREM-nvt diff --git a/examples/USER-MISC/grem/lj-single/lj.data b/examples/PACKAGES/grem/lj-single/lj.data similarity index 100% rename from examples/USER-MISC/grem/lj-single/lj.data rename to examples/PACKAGES/grem/lj-single/lj.data diff --git a/examples/USER-MISC/grem/lj-single/log.gREM-npt.9Nov16.g++.1 b/examples/PACKAGES/grem/lj-single/log.gREM-npt.9Nov16.g++.1 similarity index 100% rename from examples/USER-MISC/grem/lj-single/log.gREM-npt.9Nov16.g++.1 rename to examples/PACKAGES/grem/lj-single/log.gREM-npt.9Nov16.g++.1 diff --git a/examples/USER-MISC/grem/lj-single/log.gREM-npt.9Nov16.g++.4 b/examples/PACKAGES/grem/lj-single/log.gREM-npt.9Nov16.g++.4 similarity index 100% rename from examples/USER-MISC/grem/lj-single/log.gREM-npt.9Nov16.g++.4 rename to examples/PACKAGES/grem/lj-single/log.gREM-npt.9Nov16.g++.4 diff --git a/examples/USER-MISC/grem/lj-single/log.gREM-nvt.9Nov16.g++.1 b/examples/PACKAGES/grem/lj-single/log.gREM-nvt.9Nov16.g++.1 similarity index 100% rename from examples/USER-MISC/grem/lj-single/log.gREM-nvt.9Nov16.g++.1 rename to examples/PACKAGES/grem/lj-single/log.gREM-nvt.9Nov16.g++.1 diff --git a/examples/USER-MISC/grem/lj-single/log.gREM-nvt.9Nov16.g++.4 b/examples/PACKAGES/grem/lj-single/log.gREM-nvt.9Nov16.g++.4 similarity index 100% rename from examples/USER-MISC/grem/lj-single/log.gREM-nvt.9Nov16.g++.4 rename to examples/PACKAGES/grem/lj-single/log.gREM-nvt.9Nov16.g++.4 diff --git a/examples/USER-MISC/grem/lj-temper/0/lj.data b/examples/PACKAGES/grem/lj-temper/0/lj.data similarity index 100% rename from examples/USER-MISC/grem/lj-temper/0/lj.data rename to examples/PACKAGES/grem/lj-temper/0/lj.data diff --git a/examples/USER-MISC/grem/lj-temper/0/log.lammps.0 b/examples/PACKAGES/grem/lj-temper/0/log.lammps.0 similarity index 100% rename from examples/USER-MISC/grem/lj-temper/0/log.lammps.0 rename to examples/PACKAGES/grem/lj-temper/0/log.lammps.0 diff --git a/examples/USER-MISC/grem/lj-temper/1/lj.data b/examples/PACKAGES/grem/lj-temper/1/lj.data similarity index 100% rename from examples/USER-MISC/grem/lj-temper/1/lj.data rename to examples/PACKAGES/grem/lj-temper/1/lj.data diff --git a/examples/USER-MISC/grem/lj-temper/1/log.lammps.1 b/examples/PACKAGES/grem/lj-temper/1/log.lammps.1 similarity index 100% rename from examples/USER-MISC/grem/lj-temper/1/log.lammps.1 rename to examples/PACKAGES/grem/lj-temper/1/log.lammps.1 diff --git a/examples/USER-MISC/grem/lj-temper/2/lj.data b/examples/PACKAGES/grem/lj-temper/2/lj.data similarity index 100% rename from examples/USER-MISC/grem/lj-temper/2/lj.data rename to examples/PACKAGES/grem/lj-temper/2/lj.data diff --git a/examples/USER-MISC/grem/lj-temper/2/log.lammps.2 b/examples/PACKAGES/grem/lj-temper/2/log.lammps.2 similarity index 100% rename from examples/USER-MISC/grem/lj-temper/2/log.lammps.2 rename to examples/PACKAGES/grem/lj-temper/2/log.lammps.2 diff --git a/examples/USER-MISC/grem/lj-temper/3/lj.data b/examples/PACKAGES/grem/lj-temper/3/lj.data similarity index 100% rename from examples/USER-MISC/grem/lj-temper/3/lj.data rename to examples/PACKAGES/grem/lj-temper/3/lj.data diff --git a/examples/USER-MISC/grem/lj-temper/3/log.lammps.3 b/examples/PACKAGES/grem/lj-temper/3/log.lammps.3 similarity index 100% rename from examples/USER-MISC/grem/lj-temper/3/log.lammps.3 rename to examples/PACKAGES/grem/lj-temper/3/log.lammps.3 diff --git a/examples/USER-MISC/grem/lj-temper/in.gREM-temper b/examples/PACKAGES/grem/lj-temper/in.gREM-temper similarity index 100% rename from examples/USER-MISC/grem/lj-temper/in.gREM-temper rename to examples/PACKAGES/grem/lj-temper/in.gREM-temper diff --git a/examples/USER-MISC/imd/README b/examples/PACKAGES/imd/README similarity index 100% rename from examples/USER-MISC/imd/README rename to examples/PACKAGES/imd/README diff --git a/examples/USER-MISC/imd/bucky-plus-cnt-mol.psf b/examples/PACKAGES/imd/bucky-plus-cnt-mol.psf similarity index 100% rename from examples/USER-MISC/imd/bucky-plus-cnt-mol.psf rename to examples/PACKAGES/imd/bucky-plus-cnt-mol.psf diff --git a/examples/USER-MISC/imd/bucky_cnt_imd.vmd b/examples/PACKAGES/imd/bucky_cnt_imd.vmd similarity index 100% rename from examples/USER-MISC/imd/bucky_cnt_imd.vmd rename to examples/PACKAGES/imd/bucky_cnt_imd.vmd diff --git a/examples/USER-MISC/imd/data.bucky-plus-cnt b/examples/PACKAGES/imd/data.bucky-plus-cnt similarity index 100% rename from examples/USER-MISC/imd/data.bucky-plus-cnt rename to examples/PACKAGES/imd/data.bucky-plus-cnt diff --git a/examples/USER-MISC/imd/data.deca-ala-solv b/examples/PACKAGES/imd/data.deca-ala-solv similarity index 100% rename from examples/USER-MISC/imd/data.deca-ala-solv rename to examples/PACKAGES/imd/data.deca-ala-solv diff --git a/examples/USER-MISC/imd/deca-ala-solv.psf b/examples/PACKAGES/imd/deca-ala-solv.psf similarity index 100% rename from examples/USER-MISC/imd/deca-ala-solv.psf rename to examples/PACKAGES/imd/deca-ala-solv.psf diff --git a/examples/USER-MISC/imd/deca-ala-solv_imd-demo.vmd b/examples/PACKAGES/imd/deca-ala-solv_imd-demo.vmd similarity index 100% rename from examples/USER-MISC/imd/deca-ala-solv_imd-demo.vmd rename to examples/PACKAGES/imd/deca-ala-solv_imd-demo.vmd diff --git a/examples/USER-MISC/imd/deca-ala.psf b/examples/PACKAGES/imd/deca-ala.psf similarity index 100% rename from examples/USER-MISC/imd/deca-ala.psf rename to examples/PACKAGES/imd/deca-ala.psf diff --git a/examples/USER-MISC/imd/deca-ala_imd-demo.vmd b/examples/PACKAGES/imd/deca-ala_imd-demo.vmd similarity index 100% rename from examples/USER-MISC/imd/deca-ala_imd-demo.vmd rename to examples/PACKAGES/imd/deca-ala_imd-demo.vmd diff --git a/examples/USER-MISC/imd/falcon.tcl b/examples/PACKAGES/imd/falcon.tcl similarity index 100% rename from examples/USER-MISC/imd/falcon.tcl rename to examples/PACKAGES/imd/falcon.tcl diff --git a/examples/USER-MISC/imd/in.bucky-plus-cnt b/examples/PACKAGES/imd/in.bucky-plus-cnt similarity index 100% rename from examples/USER-MISC/imd/in.bucky-plus-cnt rename to examples/PACKAGES/imd/in.bucky-plus-cnt diff --git a/examples/USER-MISC/imd/in.bucky-plus-cnt-gpu b/examples/PACKAGES/imd/in.bucky-plus-cnt-gpu similarity index 100% rename from examples/USER-MISC/imd/in.bucky-plus-cnt-gpu rename to examples/PACKAGES/imd/in.bucky-plus-cnt-gpu diff --git a/examples/USER-MISC/imd/in.deca-ala-solv-filter_imd b/examples/PACKAGES/imd/in.deca-ala-solv-filter_imd similarity index 100% rename from examples/USER-MISC/imd/in.deca-ala-solv-filter_imd rename to examples/PACKAGES/imd/in.deca-ala-solv-filter_imd diff --git a/examples/USER-MISC/imd/in.deca-ala-solv_imd b/examples/PACKAGES/imd/in.deca-ala-solv_imd similarity index 100% rename from examples/USER-MISC/imd/in.deca-ala-solv_imd rename to examples/PACKAGES/imd/in.deca-ala-solv_imd diff --git a/examples/USER-MISC/imd/in.deca-ala_imd b/examples/PACKAGES/imd/in.deca-ala_imd similarity index 100% rename from examples/USER-MISC/imd/in.deca-ala_imd rename to examples/PACKAGES/imd/in.deca-ala_imd diff --git a/examples/USER-MISC/imd/in.deca-ala_imd-gpu b/examples/PACKAGES/imd/in.deca-ala_imd-gpu similarity index 100% rename from examples/USER-MISC/imd/in.deca-ala_imd-gpu rename to examples/PACKAGES/imd/in.deca-ala_imd-gpu diff --git a/examples/USER-MISC/imd/in.melt_imd b/examples/PACKAGES/imd/in.melt_imd similarity index 100% rename from examples/USER-MISC/imd/in.melt_imd rename to examples/PACKAGES/imd/in.melt_imd diff --git a/examples/USER-MISC/imd/in.melt_imd-gpu b/examples/PACKAGES/imd/in.melt_imd-gpu similarity index 100% rename from examples/USER-MISC/imd/in.melt_imd-gpu rename to examples/PACKAGES/imd/in.melt_imd-gpu diff --git a/examples/USER-MISC/imd/melt.psf b/examples/PACKAGES/imd/melt.psf similarity index 100% rename from examples/USER-MISC/imd/melt.psf rename to examples/PACKAGES/imd/melt.psf diff --git a/examples/USER-MISC/imd/melt_imd-demo.vmd b/examples/PACKAGES/imd/melt_imd-demo.vmd similarity index 100% rename from examples/USER-MISC/imd/melt_imd-demo.vmd rename to examples/PACKAGES/imd/melt_imd-demo.vmd diff --git a/examples/USER-MISC/srp/data.chain b/examples/PACKAGES/srp/data.chain similarity index 100% rename from examples/USER-MISC/srp/data.chain rename to examples/PACKAGES/srp/data.chain diff --git a/examples/USER-MISC/srp/in.srp b/examples/PACKAGES/srp/in.srp similarity index 100% rename from examples/USER-MISC/srp/in.srp rename to examples/PACKAGES/srp/in.srp diff --git a/src/USER-MISC/angle_dipole.cpp b/src/DIPOLE/angle_dipole.cpp similarity index 100% rename from src/USER-MISC/angle_dipole.cpp rename to src/DIPOLE/angle_dipole.cpp diff --git a/src/USER-MISC/angle_dipole.h b/src/DIPOLE/angle_dipole.h similarity index 100% rename from src/USER-MISC/angle_dipole.h rename to src/DIPOLE/angle_dipole.h diff --git a/src/USER-MISC/bond_special.cpp b/src/MISC/bond_special.cpp similarity index 100% rename from src/USER-MISC/bond_special.cpp rename to src/MISC/bond_special.cpp diff --git a/src/USER-MISC/bond_special.h b/src/MISC/bond_special.h similarity index 100% rename from src/USER-MISC/bond_special.h rename to src/MISC/bond_special.h diff --git a/src/USER-MISC/fix_addtorque.cpp b/src/MISC/fix_addtorque.cpp similarity index 100% rename from src/USER-MISC/fix_addtorque.cpp rename to src/MISC/fix_addtorque.cpp diff --git a/src/USER-MISC/fix_addtorque.h b/src/MISC/fix_addtorque.h similarity index 100% rename from src/USER-MISC/fix_addtorque.h rename to src/MISC/fix_addtorque.h diff --git a/src/USER-MISC/fix_smd.cpp b/src/MISC/fix_smd.cpp similarity index 100% rename from src/USER-MISC/fix_smd.cpp rename to src/MISC/fix_smd.cpp diff --git a/src/USER-MISC/fix_smd.h b/src/MISC/fix_smd.h similarity index 100% rename from src/USER-MISC/fix_smd.h rename to src/MISC/fix_smd.h diff --git a/src/USER-MISC/pair_list.cpp b/src/MISC/pair_list.cpp similarity index 100% rename from src/USER-MISC/pair_list.cpp rename to src/MISC/pair_list.cpp diff --git a/src/USER-MISC/pair_list.h b/src/MISC/pair_list.h similarity index 100% rename from src/USER-MISC/pair_list.h rename to src/MISC/pair_list.h diff --git a/src/USER-MISC/pair_srp.cpp b/src/MISC/pair_srp.cpp similarity index 100% rename from src/USER-MISC/pair_srp.cpp rename to src/MISC/pair_srp.cpp diff --git a/src/USER-MISC/pair_srp.h b/src/MISC/pair_srp.h similarity index 100% rename from src/USER-MISC/pair_srp.h rename to src/MISC/pair_srp.h diff --git a/src/USER-MISC/angle_cosine_shift.cpp b/src/MOLECULE/angle_cosine_shift.cpp similarity index 100% rename from src/USER-MISC/angle_cosine_shift.cpp rename to src/MOLECULE/angle_cosine_shift.cpp diff --git a/src/USER-MISC/angle_cosine_shift.h b/src/MOLECULE/angle_cosine_shift.h similarity index 100% rename from src/USER-MISC/angle_cosine_shift.h rename to src/MOLECULE/angle_cosine_shift.h diff --git a/src/USER-MISC/angle_cosine_shift_exp.cpp b/src/MOLECULE/angle_cosine_shift_exp.cpp similarity index 100% rename from src/USER-MISC/angle_cosine_shift_exp.cpp rename to src/MOLECULE/angle_cosine_shift_exp.cpp diff --git a/src/USER-MISC/angle_cosine_shift_exp.h b/src/MOLECULE/angle_cosine_shift_exp.h similarity index 100% rename from src/USER-MISC/angle_cosine_shift_exp.h rename to src/MOLECULE/angle_cosine_shift_exp.h diff --git a/src/USER-MISC/angle_fourier.cpp b/src/MOLECULE/angle_fourier.cpp similarity index 100% rename from src/USER-MISC/angle_fourier.cpp rename to src/MOLECULE/angle_fourier.cpp diff --git a/src/USER-MISC/angle_fourier.h b/src/MOLECULE/angle_fourier.h similarity index 100% rename from src/USER-MISC/angle_fourier.h rename to src/MOLECULE/angle_fourier.h diff --git a/src/USER-MISC/angle_fourier_simple.cpp b/src/MOLECULE/angle_fourier_simple.cpp similarity index 100% rename from src/USER-MISC/angle_fourier_simple.cpp rename to src/MOLECULE/angle_fourier_simple.cpp diff --git a/src/USER-MISC/angle_fourier_simple.h b/src/MOLECULE/angle_fourier_simple.h similarity index 100% rename from src/USER-MISC/angle_fourier_simple.h rename to src/MOLECULE/angle_fourier_simple.h diff --git a/src/USER-MISC/angle_gaussian.cpp b/src/MOLECULE/angle_gaussian.cpp similarity index 100% rename from src/USER-MISC/angle_gaussian.cpp rename to src/MOLECULE/angle_gaussian.cpp diff --git a/src/USER-MISC/angle_gaussian.h b/src/MOLECULE/angle_gaussian.h similarity index 100% rename from src/USER-MISC/angle_gaussian.h rename to src/MOLECULE/angle_gaussian.h diff --git a/src/USER-MISC/angle_quartic.cpp b/src/MOLECULE/angle_quartic.cpp similarity index 100% rename from src/USER-MISC/angle_quartic.cpp rename to src/MOLECULE/angle_quartic.cpp diff --git a/src/USER-MISC/angle_quartic.h b/src/MOLECULE/angle_quartic.h similarity index 100% rename from src/USER-MISC/angle_quartic.h rename to src/MOLECULE/angle_quartic.h diff --git a/src/USER-MISC/bond_gaussian.cpp b/src/MOLECULE/bond_gaussian.cpp similarity index 100% rename from src/USER-MISC/bond_gaussian.cpp rename to src/MOLECULE/bond_gaussian.cpp diff --git a/src/USER-MISC/bond_gaussian.h b/src/MOLECULE/bond_gaussian.h similarity index 100% rename from src/USER-MISC/bond_gaussian.h rename to src/MOLECULE/bond_gaussian.h diff --git a/src/USER-MISC/bond_harmonic_shift.cpp b/src/MOLECULE/bond_harmonic_shift.cpp similarity index 100% rename from src/USER-MISC/bond_harmonic_shift.cpp rename to src/MOLECULE/bond_harmonic_shift.cpp diff --git a/src/USER-MISC/bond_harmonic_shift.h b/src/MOLECULE/bond_harmonic_shift.h similarity index 100% rename from src/USER-MISC/bond_harmonic_shift.h rename to src/MOLECULE/bond_harmonic_shift.h diff --git a/src/USER-MISC/bond_harmonic_shift_cut.cpp b/src/MOLECULE/bond_harmonic_shift_cut.cpp similarity index 100% rename from src/USER-MISC/bond_harmonic_shift_cut.cpp rename to src/MOLECULE/bond_harmonic_shift_cut.cpp diff --git a/src/USER-MISC/bond_harmonic_shift_cut.h b/src/MOLECULE/bond_harmonic_shift_cut.h similarity index 100% rename from src/USER-MISC/bond_harmonic_shift_cut.h rename to src/MOLECULE/bond_harmonic_shift_cut.h diff --git a/src/USER-MISC/dihedral_cosine_shift_exp.cpp b/src/MOLECULE/dihedral_cosine_shift_exp.cpp similarity index 100% rename from src/USER-MISC/dihedral_cosine_shift_exp.cpp rename to src/MOLECULE/dihedral_cosine_shift_exp.cpp diff --git a/src/USER-MISC/dihedral_cosine_shift_exp.h b/src/MOLECULE/dihedral_cosine_shift_exp.h similarity index 100% rename from src/USER-MISC/dihedral_cosine_shift_exp.h rename to src/MOLECULE/dihedral_cosine_shift_exp.h diff --git a/src/USER-MISC/dihedral_fourier.cpp b/src/MOLECULE/dihedral_fourier.cpp similarity index 100% rename from src/USER-MISC/dihedral_fourier.cpp rename to src/MOLECULE/dihedral_fourier.cpp diff --git a/src/USER-MISC/dihedral_fourier.h b/src/MOLECULE/dihedral_fourier.h similarity index 100% rename from src/USER-MISC/dihedral_fourier.h rename to src/MOLECULE/dihedral_fourier.h diff --git a/src/USER-MISC/dihedral_nharmonic.cpp b/src/MOLECULE/dihedral_nharmonic.cpp similarity index 100% rename from src/USER-MISC/dihedral_nharmonic.cpp rename to src/MOLECULE/dihedral_nharmonic.cpp diff --git a/src/USER-MISC/dihedral_nharmonic.h b/src/MOLECULE/dihedral_nharmonic.h similarity index 100% rename from src/USER-MISC/dihedral_nharmonic.h rename to src/MOLECULE/dihedral_nharmonic.h diff --git a/src/USER-MISC/dihedral_quadratic.cpp b/src/MOLECULE/dihedral_quadratic.cpp similarity index 100% rename from src/USER-MISC/dihedral_quadratic.cpp rename to src/MOLECULE/dihedral_quadratic.cpp diff --git a/src/USER-MISC/dihedral_quadratic.h b/src/MOLECULE/dihedral_quadratic.h similarity index 100% rename from src/USER-MISC/dihedral_quadratic.h rename to src/MOLECULE/dihedral_quadratic.h diff --git a/src/USER-MISC/dihedral_spherical.cpp b/src/MOLECULE/dihedral_spherical.cpp similarity index 100% rename from src/USER-MISC/dihedral_spherical.cpp rename to src/MOLECULE/dihedral_spherical.cpp diff --git a/src/USER-MISC/dihedral_spherical.h b/src/MOLECULE/dihedral_spherical.h similarity index 100% rename from src/USER-MISC/dihedral_spherical.h rename to src/MOLECULE/dihedral_spherical.h diff --git a/src/USER-MISC/dihedral_table.cpp b/src/MOLECULE/dihedral_table.cpp similarity index 100% rename from src/USER-MISC/dihedral_table.cpp rename to src/MOLECULE/dihedral_table.cpp diff --git a/src/USER-MISC/dihedral_table.h b/src/MOLECULE/dihedral_table.h similarity index 100% rename from src/USER-MISC/dihedral_table.h rename to src/MOLECULE/dihedral_table.h diff --git a/src/USER-MISC/dihedral_table_cut.cpp b/src/MOLECULE/dihedral_table_cut.cpp similarity index 100% rename from src/USER-MISC/dihedral_table_cut.cpp rename to src/MOLECULE/dihedral_table_cut.cpp diff --git a/src/USER-MISC/dihedral_table_cut.h b/src/MOLECULE/dihedral_table_cut.h similarity index 100% rename from src/USER-MISC/dihedral_table_cut.h rename to src/MOLECULE/dihedral_table_cut.h diff --git a/src/USER-MISC/improper_cossq.cpp b/src/MOLECULE/improper_cossq.cpp similarity index 100% rename from src/USER-MISC/improper_cossq.cpp rename to src/MOLECULE/improper_cossq.cpp diff --git a/src/USER-MISC/improper_cossq.h b/src/MOLECULE/improper_cossq.h similarity index 100% rename from src/USER-MISC/improper_cossq.h rename to src/MOLECULE/improper_cossq.h diff --git a/src/USER-MISC/improper_distance.cpp b/src/MOLECULE/improper_distance.cpp similarity index 100% rename from src/USER-MISC/improper_distance.cpp rename to src/MOLECULE/improper_distance.cpp diff --git a/src/USER-MISC/improper_distance.h b/src/MOLECULE/improper_distance.h similarity index 100% rename from src/USER-MISC/improper_distance.h rename to src/MOLECULE/improper_distance.h diff --git a/src/USER-MISC/improper_fourier.cpp b/src/MOLECULE/improper_fourier.cpp similarity index 100% rename from src/USER-MISC/improper_fourier.cpp rename to src/MOLECULE/improper_fourier.cpp diff --git a/src/USER-MISC/improper_fourier.h b/src/MOLECULE/improper_fourier.h similarity index 100% rename from src/USER-MISC/improper_fourier.h rename to src/MOLECULE/improper_fourier.h diff --git a/src/USER-MISC/improper_ring.cpp b/src/MOLECULE/improper_ring.cpp similarity index 100% rename from src/USER-MISC/improper_ring.cpp rename to src/MOLECULE/improper_ring.cpp diff --git a/src/USER-MISC/improper_ring.h b/src/MOLECULE/improper_ring.h similarity index 100% rename from src/USER-MISC/improper_ring.h rename to src/MOLECULE/improper_ring.h diff --git a/src/USER-MISC/compute_pressure_grem.cpp b/src/REPLICA/compute_pressure_grem.cpp similarity index 100% rename from src/USER-MISC/compute_pressure_grem.cpp rename to src/REPLICA/compute_pressure_grem.cpp diff --git a/src/USER-MISC/compute_pressure_grem.h b/src/REPLICA/compute_pressure_grem.h similarity index 100% rename from src/USER-MISC/compute_pressure_grem.h rename to src/REPLICA/compute_pressure_grem.h diff --git a/src/USER-MISC/fix_grem.cpp b/src/REPLICA/fix_grem.cpp similarity index 100% rename from src/USER-MISC/fix_grem.cpp rename to src/REPLICA/fix_grem.cpp diff --git a/src/USER-MISC/fix_grem.h b/src/REPLICA/fix_grem.h similarity index 100% rename from src/USER-MISC/fix_grem.h rename to src/REPLICA/fix_grem.h diff --git a/src/USER-MISC/temper_grem.cpp b/src/REPLICA/temper_grem.cpp similarity index 100% rename from src/USER-MISC/temper_grem.cpp rename to src/REPLICA/temper_grem.cpp diff --git a/src/USER-MISC/temper_grem.h b/src/REPLICA/temper_grem.h similarity index 100% rename from src/USER-MISC/temper_grem.h rename to src/REPLICA/temper_grem.h diff --git a/src/USER-MISC/temper_npt.cpp b/src/REPLICA/temper_npt.cpp similarity index 100% rename from src/USER-MISC/temper_npt.cpp rename to src/REPLICA/temper_npt.cpp diff --git a/src/USER-MISC/temper_npt.h b/src/REPLICA/temper_npt.h similarity index 100% rename from src/USER-MISC/temper_npt.h rename to src/REPLICA/temper_npt.h diff --git a/src/USER-MISC/README b/src/USER-MISC/README index ea5910203c..a5416c6804 100644 --- a/src/USER-MISC/README +++ b/src/USER-MISC/README @@ -18,17 +18,6 @@ about the feature or its coding. ------------------------------------------------------------ -angle_style cosine/shift, Carsten Svaneborg, science at zqex.dk, 8 Aug 11 -angle_style cosine/shift/exp, Carsten Svaneborg, science at zqex.dk, 8 Aug 11 -angle_style fourier, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12 -angle_style fourier/simple, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12 -angle_style gaussian, Evangelos Voyiatzis, evoyiatzis at gmail.com, 25 Nov 2020 -angle_style dipole, Mario Orsi, orsimario at gmail.com, 10 Jan 12 -angle_style quartic, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12 -bond_style harmonic/shift, Carsten Svaneborg, science at zqex.dk, 8 Aug 11 -bond_style harmonic/shift/cut, Carsten Svaneborg, science at zqex.dk, 8 Aug 11 -bond_style gaussian, Evangelos Voyiatzis, evoyiatzis at gmail.com, 25 Nov 2020 -bond_style special, David Nicholson, davidanich at gmail.com, 31 Jan 2020 compute ackland/atom, Gerolf Ziegenhain, gerolf at ziegenhain.com, 4 Oct 2007 compute basal/atom, Christopher Barrett, cdb333 at cavs.msstate.edu, 3 Mar 2013 compute cnp/atom, Paulo Branicio (USC), branicio at usc.edu, 31 May 2017 @@ -42,24 +31,13 @@ compute stress/mop, Romain Vermorel (U Pau) & Laurent Joly (U Lyon), romain.verm compute stress/mop/profile, Romain Vermorel (U Pau) & Laurent Joly (U Lyon), romain.vermorel at univ-pau.fr & ljoly.ulyon at gmail.com, 5 Sep 18 compute temp/rotate, Laurent Joly (U Lyon), ljoly.ulyon at gmail.com, 8 Aug 11 compute viscosity/cos, Zheng Gong (ENS de Lyon), z.gong@outlook.com, 24 Apr 20 -compute PRESSURE/GREM, David Stelter, dstelter@bu.edu, 22 Nov 16 -dihedral_style cosine/shift/exp, Carsten Svaneborg, science at zqex.dk, 8 Aug 11 -dihedral_style fourier, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12 -dihedral_style nharmonic, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12 -dihedral_style quadratic, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12 -dihedral_style spherical, Andrew Jewett, jewett.aij@gmail.com, 15 Jul 16 -dihedral_style table, Andrew Jewett, jewett.aij@gmail.com, 10 Jan 12 -dihedral_style table/cut, Mike Salerno, ksalerno@pha.jhu.edu, 11 May 18 fix accelerate/cos, Zheng Gong (ENS de Lyon), z.gong@outlook.com, 24 Apr 20 -fix addtorque, Laurent Joly (U Lyon), ljoly.ulyon at gmail.com, 8 Aug 11 fix ave/correlate/long, Jorge Ramirez (UPM Madrid), jorge.ramirez at upm.es, 21 Oct 2015 fix electron/stopping/fit, James Stewart (SNL), jstewa .at. sandia.gov, 23 Sep 2020 fix electron/stopping, Konstantin Avchaciov, k.avchachov at gmail.com, 26 Feb 2019 fix ffl, David Wilkins (EPFL Lausanne), david.wilkins @ epfl.ch, 28 Sep 2018 fix filter/corotate, Lukas Fath (KIT), lukas.fath at kit.edu, 15 Mar 2017 fix flow/gauss, Joel Eaves (CU Boulder), Joel.Eaves@Colorado.edu, 23 Aug 2016 -fix gle, Michele Ceriotti (EPFL Lausanne), michele.ceriotti at gmail.com, 24 Nov 2014 -fix grem, David Stelter, dstelter@bu.edu, 22 Nov 16 fix ipi, Michele Ceriotti (EPFL Lausanne), michele.ceriotti at gmail.com, 24 Nov 2014 fix momentum/chunk, Jiang Xiao (Hong Kong Polytechnic University), polyu-xiao.jiang at connect.polyu.hk, 19 Aug 2020 fix npt/cauchy, R. E. Miller (Carleton University), F. Pavia and S. Pattamatta, 12 Jan 2020 @@ -68,43 +46,28 @@ fix orient/eco Adrian A. Schratt and Volker Mohles (Ruhr-Uni Bochum), volker.moh fix pafi, Thomas Swinburne (CNRS), swinburne at cinam.univ-mrs.fr, 1st Sep 2020 fix pimd, Yuxing Peng (U Chicago), yuxing at uchicago.edu, 24 Nov 2014 fix rhok, Ulf Pedersen (Roskilde U), ulf at urp.dk, 25 Sep 2017 -fix smd, Axel Kohlmeyer, akohlmey at gmail.com, 19 May 2008 fix ti/spring, Rodrigo Freitas (Unicamp/Brazil), rodrigohb at gmail.com, 7 Nov 2013 fix ttm/mod, Sergey Starikov and Vasily Pisarev (JIHT), pisarevvv at gmail.com, 2 Feb 2015 fix wall/ees, Abdoreza Ershadinia, a.ershadinia at gmail.com, Jul 2017 fix wall/reflect/stochastic, Quy-Dong To (U Gustave Eiffel), toquydong at gmail.com, Jan 2020 fix wall/region/ees, Abdoreza Ershadinia, a.ershadinia at gmail.com, Jul 2017 -improper_style cossq, Georgios Vogiatzis, gvog at chemeng.ntua.gr, 25 May 12 -improper_style fourier, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12 -improper_style ring, Georgios Vogiatzis, gvog at chemeng.ntua.gr, 25 May 12 -improper_style distance, Paolo Raiteri, p.raiteri at curtin.edu.au, 2 Dec 15 pair_style agni, Axel Kohlmeyer, akohlmey at gmail.com, 9 Nov 16 pair_style buck/mdf, Paolo Raiteri, p.raiteri at curtin.edu.au, 2 Dec 15 pair_style cosine/squared, Eugen Rozic, eugen.rozic.17 at ucl.ac.uk, 9 Aug 19 pair_style coul/diel, Axel Kohlmeyer, akohlmey at gmail.com, 1 Dec 11 -pair_style coul/shield, Wengen Ouyang (Tel Aviv University), w.g.ouyang at gmail dot com, 30 Mar 18 pair_style coul/slater/cut, Evangelos Voyiatzis, evoyiatzis at gmail.com, 26 February 2020 pair_style coul/slater/long, Evangelos Voyiatzis, evoyiatzis at gmail.com, 26 February 2020 pair_style dipole/sf, Mario Orsi, orsimario at gmail.com, 8 Aug 11 pair_style e3b, Steven Strong (U Chicago), stevene.strong at gmail dot com, 16 Apr 19 -pair_style drip, Mingjian Wen, University of Minnesota, wenxx151 at umn.edu, 17 Apr 19 pair_style edip, Luca Ferraro, luca.ferraro at caspur.it, 15 Sep 11 pair_style extep, Jaap Kroes (Radboud U), jaapkroes at gmail dot com, 28 Nov 17 pair_style gauss/cut, Axel Kohlmeyer, akohlmey at gmail.com, 1 Dec 11 -pair_style ilp/graphene/hbn, Wengen Ouyang (Tel Aviv University), w.g.ouyang at gmail dot com, 30 Mar 18 -pair_style lebedeva/z, Zbigniew Koziol (National Center for Nuclear Research), softquake at gmail dot com, 4 Jan 19 pair_style lennard/mdf, Paolo Raiteri, p.raiteri at curtin.edu.au, 2 Dec 15 -pair_style list, Axel Kohlmeyer (Temple U), akohlmey at gmail.com, 1 Jun 13 pair_style lj/mdf, Paolo Raiteri, p.raiteri at curtin.edu.au, 2 Dec 15 pair_style local/density, Tanmoy Sanyal (tanmoy dot 7989 at gmail.com) and M. Scott Shell (UCSB), and David Rosenberger (TU Darmstadt), 9 Sept 19 -pair_style kolmogorov/crespi/full, Wengen Ouyang (Tel Aviv University), w.g.ouyang at gmail dot com, 30 Mar 18 -pair_style kolmogorov/crespi/z, Jaap Kroes (Radboud U), jaapkroes at gmail dot com, 28 Feb 17 pair_style meam/spline, Alexander Stukowski (LLNL), alex at stukowski.com, 1 Feb 12 pair_style meam/sw/spline, Robert Rudd (LLNL), robert.rudd at llnl.gov, 1 Oct 12 pair_style morse/smooth/linear, Stefan Paquay (TU Eindhoven), stefanpaquay at gmail.com, 29 Feb 16 -pair_style srp, Tim Sirk, tim.sirk at us.army.mil, 21 Nov 14 pair_style tersoff/table, Luca Ferraro, luca.ferraro@caspur.it, 1 Dec 11 pair_style momb, Kristen Fichthorn, Tonnam Balankura, Ya Zhou, fichthorn@psu.edu, 18 Mar 17 pair_style wf_cut, Simon Ramirez-Hinestrosa, Xipeng Wang, sr802 at cam.ac.uk, 4 Nov 20 -temper/grem, David Stelter, dstelter@bu.edu, 22 Nov 16 -temper/npt, Amulya K. Pervaje, Cody K. Addington, amulyapervaje@gmail.com , 31 Aug 17