ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Merge branch 'two-command-tables' into collected-small-changes

Browse Source
This commit is contained in:
Axel Kohlmeyer
2022-05-19 12:16:37 -04:00
parent 7e75b7bff5 5990241fbe
commit 2138aea01f
3 changed files with 49 additions and 21 deletions
Download Patch File Download Diff File Expand all files Collapse all files

43
doc/src/Commands_all.rst
View File

@ -14,7 +14,7 @@
General commands
================
An alphabetic list of all general LAMMPS commands.
An alphabetic list of general LAMMPS commands.
.. table_from_list::
:columns: 5
@ -47,35 +47,26 @@ An alphabetic list of all general LAMMPS commands.
* :doc:`displace_atoms <displace_atoms>`
* :doc:`dump <dump>`
* :doc:`dump_modify <dump_modify>`
* :doc:`dynamical_matrix (k) <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:`info <info>`
* :doc:`jump <jump>`
* :doc:`kim <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:`mdi <mdi>`
* :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>`
@ -86,11 +77,8 @@ An alphabetic list of all general LAMMPS commands.
* :doc:`pair_style <pair_style>`
* :doc:`pair_write <pair_write>`
* :doc:`partition <partition>`
* :doc:`plugin <plugin>`
* :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>`
@ -108,14 +96,9 @@ An alphabetic list of all general LAMMPS commands.
* :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 (k) <third_order>`
* :doc:`timer <timer>`
* :doc:`timestep <timestep>`
* :doc:`uncompute <uncompute>`
@ -128,3 +111,27 @@ An alphabetic list of all general LAMMPS commands.
* :doc:`write_data <write_data>`
* :doc:`write_dump <write_dump>`
* :doc:`write_restart <write_restart>`
Additional general LAMMPS commands provided by packages. A few
commands have accelerated versions. This is indicated by an
additional letter in parenthesis: k = KOKKOS.
.. table_from_list::
:columns: 5
* :doc:`dynamical_matrix (k) <dynamical_matrix>`
* :doc:`group2ndx <group2ndx>`
* :doc:`hyper <hyper>`
* :doc:`kim <kim_commands>`
* :doc:`mdi <mdi>`
* :doc:`ndx2group <group2ndx>`
* :doc:`neb <neb>`
* :doc:`neb/spin <neb_spin>`
* :doc:`plugin <plugin>`
* :doc:`prd <prd>`
* :doc:`python <python>`
* :doc:`tad <tad>`
* :doc:`temper <temper>`
* :doc:`temper/grem <temper_grem>`
* :doc:`temper/npt <temper_npt>`
* :doc:`third_order (k) <third_order>`

4
doc/src/min_spin.rst
View File

@ -98,6 +98,10 @@ see their implementation reported in :ref:`(Ivanov) <Ivanov1>`.
Restrictions
""""""""""""
The *spin*, *spin/cg*, and *spin/lbfgps* styles are part of the SPIN
package. They are only enabled if LAMMPS was built with that package.
See the :doc:`Build package <Build_package>` page for more info.
This minimization procedure is only applied to spin degrees of
freedom for a frozen lattice configuration.

23
doc/src/min_style.rst
View File

@ -3,23 +3,38 @@
min_style command
=================
:doc:`min_style spin <min_spin>` command
==================================
:doc:`min_style spin/cg <min_spin>` command
==================================
:doc:`min_style spin/lbfgs <min_spin>` command
==================================
Syntax
""""""
.. code-block:: LAMMPS
.. parsed-literal::
min_style style
* style = *cg* or *hftn* or *sd* or *quickmin* or *fire* or *fire/old* or *spin* or *spin/cg* or *spin/lbfgs*
.. parsed-literal::
*spin* is discussed briefly here and fully on :doc:`min_style spin <min_spin>` doc page
*spin/cg* is discussed briefly here and fully on :doc:`min_style spin <min_spin>` doc page
*spin/lbfgs* is discussed briefly here and fully on :doc:`min_style spin <min_spin>` doc page
Examples
""""""""
.. code-block:: LAMMPS
min_style cg
min_style spin
min_style fire
min_style spin
Description
"""""""""""
@ -124,7 +139,9 @@ calculations via the :doc:`neb/spin <neb_spin>` command.
Restrictions
""""""""""""
none
The *spin*, *spin/cg*, and *spin/lbfgps* styles are part of the SPIN
package. They are only enabled if LAMMPS was built with that package.
See the :doc:`Build package <Build_package>` page for more info.
Related commands
""""""""""""""""