Loading doc/Makefile +6 −17 Original line number Diff line number Diff line Loading @@ -3,7 +3,6 @@ SHELL = /bin/bash BUILDDIR = ${CURDIR} RSTDIR = $(BUILDDIR)/src TXTDIR = $(BUILDDIR)/txt VENV = $(BUILDDIR)/docenv TXT2RST = $(VENV)/bin/txt2rst ANCHORCHECK = $(VENV)/bin/rst_anchor_check Loading @@ -28,8 +27,6 @@ HAS_VIRTUALENV = YES endif SPHINXEXTRA = -j $(shell $(PYTHON) -c 'import multiprocessing;print(multiprocessing.cpu_count())') SOURCES=$(filter-out $(wildcard $(TXTDIR)/lammps_commands*.txt) $(TXTDIR)/lammps_support.txt $(TXTDIR)/lammps_tutorials.txt,$(wildcard $(TXTDIR)/*.txt)) OBJECTS=$(SOURCES:$(TXTDIR)/%.txt=$(RSTDIR)/%.rst) .PHONY: help clean-all clean epub mobi rst html pdf venv spelling anchor_check style_check Loading Loading @@ -61,9 +58,9 @@ clean: clean-spelling: rm -rf spelling rst: clean $(OBJECTS) $(ANCHORCHECK) rst: clean $(ANCHORCHECK) html: $(OBJECTS) $(ANCHORCHECK) html: $(ANCHORCHECK) @(\ . $(VENV)/bin/activate ;\ sphinx-build $(SPHINXEXTRA) -b html -c utils/sphinx-config -d $(BUILDDIR)/doctrees $(RSTDIR) html ;\ Loading @@ -86,7 +83,7 @@ html: $(OBJECTS) $(ANCHORCHECK) @rm -rf html/USER/*/*.[sg]* @echo "Build finished. The HTML pages are in doc/html." spelling: $(OBJECTS) utils/sphinx-config/false_positives.txt spelling: utils/sphinx-config/false_positives.txt @(\ . $(VENV)/bin/activate ;\ pip install sphinxcontrib-spelling ;\ Loading @@ -96,7 +93,7 @@ spelling: $(OBJECTS) utils/sphinx-config/false_positives.txt ) @echo "Spell check finished." epub: $(OBJECTS) epub: @mkdir -p epub/JPG @rm -f LAMMPS.epub @cp src/JPG/lammps-logo.png epub/ Loading @@ -115,7 +112,7 @@ mobi: epub @ebook-convert LAMMPS.epub LAMMPS.mobi @echo "Conversion finished. The MOBI manual file is created." pdf: $(OBJECTS) $(ANCHORCHECK) pdf: $(ANCHORCHECK) @(\ cd src/Developer; \ pdflatex developer; \ Loading Loading @@ -167,7 +164,7 @@ fetch: anchor_check : $(ANCHORCHECK) @(\ . $(VENV)/bin/activate ;\ rst_anchor_check src/*.txt ;\ rst_anchor_check src/*.rst ;\ deactivate ;\ ) Loading @@ -180,14 +177,6 @@ style_check : # ------------------------------------------ $(RSTDIR)/%.rst : $(TXTDIR)/%.txt $(TXT2RST) @(\ mkdir -p $(RSTDIR) ; \ . $(VENV)/bin/activate ;\ txt2rst -v $< > $@ ;\ deactivate ;\ ) $(VENV): @if [ "$(HAS_PYTHON3)" == "NO" ] ; then echo "Python3 was not found! Please check README.md for further instructions" 1>&2; exit 1; fi @if [ "$(HAS_VIRTUALENV)" == "NO" ] ; then echo "virtualenv was not found! Please check README.md for further instructions" 1>&2; exit 1; fi Loading doc/src/Build_extras.rst +1 −1 Original line number Diff line number Diff line Loading @@ -177,7 +177,7 @@ KIM package To build with this package, the KIM library with API v2 must be downloaded and built on your system. It must include the KIM models that you want to use with LAMMPS. If you want to use the :doc:`kim\_query <kim_commands>` use with LAMMPS. If you want to use the :doc:`kim_query <kim_commands>` command, you also need to have libcurl installed with the matching development headers and the curl-config tool. Loading doc/src/Build_settings.rst +5 −5 Original line number Diff line number Diff line Loading @@ -5,11 +5,11 @@ LAMMPS can be built with several optional settings. Each sub-section explain how to do this for building both with CMake and make. | :ref:`C++11 standard compliance test <cxx11>` when building all of LAMMPS | :ref:`FFT library <fft>` for use with the :doc:`kspace\_style pppm <kspace_style>` command | :ref:`FFT library <fft>` for use with the :doc:`kspace_style pppm <kspace_style>` command | :ref:`Size of LAMMPS data types <size>` | :ref:`Read or write compressed files <gzip>` | :ref:`Output of JPG and PNG files <graphics>` via the :doc:`dump image <dump_image>` command | :ref:`Output of movie files <graphics>` via the :doc:`dump\_movie <dump_image>` command | :ref:`Output of movie files <graphics>` via the :doc:`dump_movie <dump_image>` command | :ref:`Memory allocation alignment <align>` | :ref:`Workaround for long long integers <longlong>` | :ref:`Error handling exceptions <exceptions>` when using LAMMPS as a library Loading Loading @@ -72,7 +72,7 @@ FFT library --------------------- When the KSPACE package is included in a LAMMPS build, the :doc:`kspace\_style pppm <kspace_style>` command performs 3d FFTs which :doc:`kspace_style pppm <kspace_style>` command performs 3d FFTs which require use of an FFT library to compute 1d FFTs. The KISS FFT library is included with LAMMPS but other libraries can be faster. LAMMPS can use them if they are available on your system. Loading Loading @@ -251,7 +251,7 @@ support 8-byte integers. It allows for: Atom IDs are not required for atomic systems which do not store bond topology information, though IDs are enabled by default. The :doc:`atom\_modify id no <atom_modify>` command will turn them off. Atom :doc:`atom_modify id no <atom_modify>` command will turn them off. Atom IDs are required for molecular systems with bond topology (bonds, angles, dihedrals, etc). Thus if you model a molecular system with more than 2 billion atoms, you need the "bigbig" setting. Loading Loading @@ -357,7 +357,7 @@ Read or write compressed files If this option is enabled, large files can be read or written with gzip compression by several LAMMPS commands, including :doc:`read\_data <read_data>`, :doc:`rerun <rerun>`, and :doc:`dump <dump>`. :doc:`read_data <read_data>`, :doc:`rerun <rerun>`, and :doc:`dump <dump>`. **CMake variables**\ : Loading doc/src/Commands_bond.rst +1 −1 Original line number Diff line number Diff line Loading @@ -131,7 +131,7 @@ OPT. Improper_style potentials ========================= All LAMMPS :doc:`improper\_style <improper_style>` commands. Some styles 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. Loading doc/src/Commands_category.rst +45 −45 Original line number Diff line number Diff line Loading @@ -18,73 +18,73 @@ Setup simulation box: * :doc:`boundary <boundary>`, * :doc:`box <box>`, * :doc:`change\_box <change_box>`, * :doc:`create\_box <create_box>`, * :doc:`change_box <change_box>`, * :doc:`create_box <create_box>`, * :doc:`dimension <dimension>`, * :doc:`lattice <lattice>`, * :doc:`region <region>` Setup atoms: * :doc:`atom\_modify <atom_modify>`, * :doc:`atom\_style <atom_style>`, * :doc:`atom_modify <atom_modify>`, * :doc:`atom_style <atom_style>`, * :doc:`balance <balance>`, * :doc:`create\_atoms <create_atoms>`, * :doc:`create\_bonds <create_bonds>`, * :doc:`delete\_atoms <delete_atoms>`, * :doc:`delete\_bonds <delete_bonds>`, * :doc:`displace\_atoms <displace_atoms>`, * :doc:`create_atoms <create_atoms>`, * :doc:`create_bonds <create_bonds>`, * :doc:`delete_atoms <delete_atoms>`, * :doc:`delete_bonds <delete_bonds>`, * :doc:`displace_atoms <displace_atoms>`, * :doc:`group <group>`, * :doc:`mass <mass>`, * :doc:`molecule <molecule>`, * :doc:`read\_data <read_data>`, * :doc:`read\_dump <read_dump>`, * :doc:`read\_restart <read_restart>`, * :doc:`read_data <read_data>`, * :doc:`read_dump <read_dump>`, * :doc:`read_restart <read_restart>`, * :doc:`replicate <replicate>`, * :doc:`set <set>`, * :doc:`velocity <velocity>` Force fields: * :doc:`angle\_coeff <angle_coeff>`, * :doc:`angle\_style <angle_style>`, * :doc:`bond\_coeff <bond_coeff>`, * :doc:`bond\_style <bond_style>`, * :doc:`bond\_write <bond_write>`, * :doc:`angle_coeff <angle_coeff>`, * :doc:`angle_style <angle_style>`, * :doc:`bond_coeff <bond_coeff>`, * :doc:`bond_style <bond_style>`, * :doc:`bond_write <bond_write>`, * :doc:`dielectric <dielectric>`, * :doc:`dihedral\_coeff <dihedral_coeff>`, * :doc:`dihedral\_style <dihedral_style>`, * :doc:`improper\_coeff <improper_coeff>`, * :doc:`improper\_style <improper_style>`, * :doc:`kspace\_modify <kspace_modify>`, * :doc:`kspace\_style <kspace_style>`, * :doc:`pair\_coeff <pair_coeff>`, * :doc:`pair\_modify <pair_modify>`, * :doc:`pair\_style <pair_style>`, * :doc:`pair\_write <pair_write>`, * :doc:`special\_bonds <special_bonds>` * :doc:`dihedral_coeff <dihedral_coeff>`, * :doc:`dihedral_style <dihedral_style>`, * :doc:`improper_coeff <improper_coeff>`, * :doc:`improper_style <improper_style>`, * :doc:`kspace_modify <kspace_modify>`, * :doc:`kspace_style <kspace_style>`, * :doc:`pair_coeff <pair_coeff>`, * :doc:`pair_modify <pair_modify>`, * :doc:`pair_style <pair_style>`, * :doc:`pair_write <pair_write>`, * :doc:`special_bonds <special_bonds>` Settings: * :doc:`comm\_modify <comm_modify>`, * :doc:`comm\_style <comm_style>`, * :doc:`comm_modify <comm_modify>`, * :doc:`comm_style <comm_style>`, * :doc:`info <info>`, * :doc:`min\_modify <min_modify>`, * :doc:`min\_style <min_style>`, * :doc:`neigh\_modify <neigh_modify>`, * :doc:`min_modify <min_modify>`, * :doc:`min_style <min_style>`, * :doc:`neigh_modify <neigh_modify>`, * :doc:`neighbor <neighbor>`, * :doc:`partition <partition>`, * :doc:`reset\_timestep <reset_timestep>`, * :doc:`run\_style <run_style>`, * :doc:`reset_timestep <reset_timestep>`, * :doc:`run_style <run_style>`, * :doc:`timer <timer>`, * :doc:`timestep <timestep>` Operations within timestepping (fixes) and diagnostics (computes): * :doc:`compute <compute>`, * :doc:`compute\_modify <compute_modify>`, * :doc:`compute_modify <compute_modify>`, * :doc:`fix <fix>`, * :doc:`fix\_modify <fix_modify>`, * :doc:`fix_modify <fix_modify>`, * :doc:`uncompute <uncompute>`, * :doc:`unfix <unfix>` Loading @@ -93,22 +93,22 @@ Output: * :doc:`dump image <dump_image>`, * :doc:`dump movie <dump_image>`, * :doc:`dump <dump>`, * :doc:`dump\_modify <dump_modify>`, * :doc:`dump_modify <dump_modify>`, * :doc:`restart <restart>`, * :doc:`thermo <thermo>`, * :doc:`thermo\_modify <thermo_modify>`, * :doc:`thermo\_style <thermo_style>`, * :doc:`thermo_modify <thermo_modify>`, * :doc:`thermo_style <thermo_style>`, * :doc:`undump <undump>`, * :doc:`write\_coeff <write_coeff>`, * :doc:`write\_data <write_data>`, * :doc:`write\_dump <write_dump>`, * :doc:`write\_restart <write_restart>` * :doc:`write_coeff <write_coeff>`, * :doc:`write_data <write_data>`, * :doc:`write_dump <write_dump>`, * :doc:`write_restart <write_restart>` Actions: * :doc:`minimize <minimize>`, * :doc:`neb <neb>`, * :doc:`neb\_spin <neb_spin>`, * :doc:`neb_spin <neb_spin>`, * :doc:`prd <prd>`, * :doc:`rerun <rerun>`, * :doc:`run <run>`, Loading Loading
doc/Makefile +6 −17 Original line number Diff line number Diff line Loading @@ -3,7 +3,6 @@ SHELL = /bin/bash BUILDDIR = ${CURDIR} RSTDIR = $(BUILDDIR)/src TXTDIR = $(BUILDDIR)/txt VENV = $(BUILDDIR)/docenv TXT2RST = $(VENV)/bin/txt2rst ANCHORCHECK = $(VENV)/bin/rst_anchor_check Loading @@ -28,8 +27,6 @@ HAS_VIRTUALENV = YES endif SPHINXEXTRA = -j $(shell $(PYTHON) -c 'import multiprocessing;print(multiprocessing.cpu_count())') SOURCES=$(filter-out $(wildcard $(TXTDIR)/lammps_commands*.txt) $(TXTDIR)/lammps_support.txt $(TXTDIR)/lammps_tutorials.txt,$(wildcard $(TXTDIR)/*.txt)) OBJECTS=$(SOURCES:$(TXTDIR)/%.txt=$(RSTDIR)/%.rst) .PHONY: help clean-all clean epub mobi rst html pdf venv spelling anchor_check style_check Loading Loading @@ -61,9 +58,9 @@ clean: clean-spelling: rm -rf spelling rst: clean $(OBJECTS) $(ANCHORCHECK) rst: clean $(ANCHORCHECK) html: $(OBJECTS) $(ANCHORCHECK) html: $(ANCHORCHECK) @(\ . $(VENV)/bin/activate ;\ sphinx-build $(SPHINXEXTRA) -b html -c utils/sphinx-config -d $(BUILDDIR)/doctrees $(RSTDIR) html ;\ Loading @@ -86,7 +83,7 @@ html: $(OBJECTS) $(ANCHORCHECK) @rm -rf html/USER/*/*.[sg]* @echo "Build finished. The HTML pages are in doc/html." spelling: $(OBJECTS) utils/sphinx-config/false_positives.txt spelling: utils/sphinx-config/false_positives.txt @(\ . $(VENV)/bin/activate ;\ pip install sphinxcontrib-spelling ;\ Loading @@ -96,7 +93,7 @@ spelling: $(OBJECTS) utils/sphinx-config/false_positives.txt ) @echo "Spell check finished." epub: $(OBJECTS) epub: @mkdir -p epub/JPG @rm -f LAMMPS.epub @cp src/JPG/lammps-logo.png epub/ Loading @@ -115,7 +112,7 @@ mobi: epub @ebook-convert LAMMPS.epub LAMMPS.mobi @echo "Conversion finished. The MOBI manual file is created." pdf: $(OBJECTS) $(ANCHORCHECK) pdf: $(ANCHORCHECK) @(\ cd src/Developer; \ pdflatex developer; \ Loading Loading @@ -167,7 +164,7 @@ fetch: anchor_check : $(ANCHORCHECK) @(\ . $(VENV)/bin/activate ;\ rst_anchor_check src/*.txt ;\ rst_anchor_check src/*.rst ;\ deactivate ;\ ) Loading @@ -180,14 +177,6 @@ style_check : # ------------------------------------------ $(RSTDIR)/%.rst : $(TXTDIR)/%.txt $(TXT2RST) @(\ mkdir -p $(RSTDIR) ; \ . $(VENV)/bin/activate ;\ txt2rst -v $< > $@ ;\ deactivate ;\ ) $(VENV): @if [ "$(HAS_PYTHON3)" == "NO" ] ; then echo "Python3 was not found! Please check README.md for further instructions" 1>&2; exit 1; fi @if [ "$(HAS_VIRTUALENV)" == "NO" ] ; then echo "virtualenv was not found! Please check README.md for further instructions" 1>&2; exit 1; fi Loading
doc/src/Build_extras.rst +1 −1 Original line number Diff line number Diff line Loading @@ -177,7 +177,7 @@ KIM package To build with this package, the KIM library with API v2 must be downloaded and built on your system. It must include the KIM models that you want to use with LAMMPS. If you want to use the :doc:`kim\_query <kim_commands>` use with LAMMPS. If you want to use the :doc:`kim_query <kim_commands>` command, you also need to have libcurl installed with the matching development headers and the curl-config tool. Loading
doc/src/Build_settings.rst +5 −5 Original line number Diff line number Diff line Loading @@ -5,11 +5,11 @@ LAMMPS can be built with several optional settings. Each sub-section explain how to do this for building both with CMake and make. | :ref:`C++11 standard compliance test <cxx11>` when building all of LAMMPS | :ref:`FFT library <fft>` for use with the :doc:`kspace\_style pppm <kspace_style>` command | :ref:`FFT library <fft>` for use with the :doc:`kspace_style pppm <kspace_style>` command | :ref:`Size of LAMMPS data types <size>` | :ref:`Read or write compressed files <gzip>` | :ref:`Output of JPG and PNG files <graphics>` via the :doc:`dump image <dump_image>` command | :ref:`Output of movie files <graphics>` via the :doc:`dump\_movie <dump_image>` command | :ref:`Output of movie files <graphics>` via the :doc:`dump_movie <dump_image>` command | :ref:`Memory allocation alignment <align>` | :ref:`Workaround for long long integers <longlong>` | :ref:`Error handling exceptions <exceptions>` when using LAMMPS as a library Loading Loading @@ -72,7 +72,7 @@ FFT library --------------------- When the KSPACE package is included in a LAMMPS build, the :doc:`kspace\_style pppm <kspace_style>` command performs 3d FFTs which :doc:`kspace_style pppm <kspace_style>` command performs 3d FFTs which require use of an FFT library to compute 1d FFTs. The KISS FFT library is included with LAMMPS but other libraries can be faster. LAMMPS can use them if they are available on your system. Loading Loading @@ -251,7 +251,7 @@ support 8-byte integers. It allows for: Atom IDs are not required for atomic systems which do not store bond topology information, though IDs are enabled by default. The :doc:`atom\_modify id no <atom_modify>` command will turn them off. Atom :doc:`atom_modify id no <atom_modify>` command will turn them off. Atom IDs are required for molecular systems with bond topology (bonds, angles, dihedrals, etc). Thus if you model a molecular system with more than 2 billion atoms, you need the "bigbig" setting. Loading Loading @@ -357,7 +357,7 @@ Read or write compressed files If this option is enabled, large files can be read or written with gzip compression by several LAMMPS commands, including :doc:`read\_data <read_data>`, :doc:`rerun <rerun>`, and :doc:`dump <dump>`. :doc:`read_data <read_data>`, :doc:`rerun <rerun>`, and :doc:`dump <dump>`. **CMake variables**\ : Loading
doc/src/Commands_bond.rst +1 −1 Original line number Diff line number Diff line Loading @@ -131,7 +131,7 @@ OPT. Improper_style potentials ========================= All LAMMPS :doc:`improper\_style <improper_style>` commands. Some styles 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. Loading
doc/src/Commands_category.rst +45 −45 Original line number Diff line number Diff line Loading @@ -18,73 +18,73 @@ Setup simulation box: * :doc:`boundary <boundary>`, * :doc:`box <box>`, * :doc:`change\_box <change_box>`, * :doc:`create\_box <create_box>`, * :doc:`change_box <change_box>`, * :doc:`create_box <create_box>`, * :doc:`dimension <dimension>`, * :doc:`lattice <lattice>`, * :doc:`region <region>` Setup atoms: * :doc:`atom\_modify <atom_modify>`, * :doc:`atom\_style <atom_style>`, * :doc:`atom_modify <atom_modify>`, * :doc:`atom_style <atom_style>`, * :doc:`balance <balance>`, * :doc:`create\_atoms <create_atoms>`, * :doc:`create\_bonds <create_bonds>`, * :doc:`delete\_atoms <delete_atoms>`, * :doc:`delete\_bonds <delete_bonds>`, * :doc:`displace\_atoms <displace_atoms>`, * :doc:`create_atoms <create_atoms>`, * :doc:`create_bonds <create_bonds>`, * :doc:`delete_atoms <delete_atoms>`, * :doc:`delete_bonds <delete_bonds>`, * :doc:`displace_atoms <displace_atoms>`, * :doc:`group <group>`, * :doc:`mass <mass>`, * :doc:`molecule <molecule>`, * :doc:`read\_data <read_data>`, * :doc:`read\_dump <read_dump>`, * :doc:`read\_restart <read_restart>`, * :doc:`read_data <read_data>`, * :doc:`read_dump <read_dump>`, * :doc:`read_restart <read_restart>`, * :doc:`replicate <replicate>`, * :doc:`set <set>`, * :doc:`velocity <velocity>` Force fields: * :doc:`angle\_coeff <angle_coeff>`, * :doc:`angle\_style <angle_style>`, * :doc:`bond\_coeff <bond_coeff>`, * :doc:`bond\_style <bond_style>`, * :doc:`bond\_write <bond_write>`, * :doc:`angle_coeff <angle_coeff>`, * :doc:`angle_style <angle_style>`, * :doc:`bond_coeff <bond_coeff>`, * :doc:`bond_style <bond_style>`, * :doc:`bond_write <bond_write>`, * :doc:`dielectric <dielectric>`, * :doc:`dihedral\_coeff <dihedral_coeff>`, * :doc:`dihedral\_style <dihedral_style>`, * :doc:`improper\_coeff <improper_coeff>`, * :doc:`improper\_style <improper_style>`, * :doc:`kspace\_modify <kspace_modify>`, * :doc:`kspace\_style <kspace_style>`, * :doc:`pair\_coeff <pair_coeff>`, * :doc:`pair\_modify <pair_modify>`, * :doc:`pair\_style <pair_style>`, * :doc:`pair\_write <pair_write>`, * :doc:`special\_bonds <special_bonds>` * :doc:`dihedral_coeff <dihedral_coeff>`, * :doc:`dihedral_style <dihedral_style>`, * :doc:`improper_coeff <improper_coeff>`, * :doc:`improper_style <improper_style>`, * :doc:`kspace_modify <kspace_modify>`, * :doc:`kspace_style <kspace_style>`, * :doc:`pair_coeff <pair_coeff>`, * :doc:`pair_modify <pair_modify>`, * :doc:`pair_style <pair_style>`, * :doc:`pair_write <pair_write>`, * :doc:`special_bonds <special_bonds>` Settings: * :doc:`comm\_modify <comm_modify>`, * :doc:`comm\_style <comm_style>`, * :doc:`comm_modify <comm_modify>`, * :doc:`comm_style <comm_style>`, * :doc:`info <info>`, * :doc:`min\_modify <min_modify>`, * :doc:`min\_style <min_style>`, * :doc:`neigh\_modify <neigh_modify>`, * :doc:`min_modify <min_modify>`, * :doc:`min_style <min_style>`, * :doc:`neigh_modify <neigh_modify>`, * :doc:`neighbor <neighbor>`, * :doc:`partition <partition>`, * :doc:`reset\_timestep <reset_timestep>`, * :doc:`run\_style <run_style>`, * :doc:`reset_timestep <reset_timestep>`, * :doc:`run_style <run_style>`, * :doc:`timer <timer>`, * :doc:`timestep <timestep>` Operations within timestepping (fixes) and diagnostics (computes): * :doc:`compute <compute>`, * :doc:`compute\_modify <compute_modify>`, * :doc:`compute_modify <compute_modify>`, * :doc:`fix <fix>`, * :doc:`fix\_modify <fix_modify>`, * :doc:`fix_modify <fix_modify>`, * :doc:`uncompute <uncompute>`, * :doc:`unfix <unfix>` Loading @@ -93,22 +93,22 @@ Output: * :doc:`dump image <dump_image>`, * :doc:`dump movie <dump_image>`, * :doc:`dump <dump>`, * :doc:`dump\_modify <dump_modify>`, * :doc:`dump_modify <dump_modify>`, * :doc:`restart <restart>`, * :doc:`thermo <thermo>`, * :doc:`thermo\_modify <thermo_modify>`, * :doc:`thermo\_style <thermo_style>`, * :doc:`thermo_modify <thermo_modify>`, * :doc:`thermo_style <thermo_style>`, * :doc:`undump <undump>`, * :doc:`write\_coeff <write_coeff>`, * :doc:`write\_data <write_data>`, * :doc:`write\_dump <write_dump>`, * :doc:`write\_restart <write_restart>` * :doc:`write_coeff <write_coeff>`, * :doc:`write_data <write_data>`, * :doc:`write_dump <write_dump>`, * :doc:`write_restart <write_restart>` Actions: * :doc:`minimize <minimize>`, * :doc:`neb <neb>`, * :doc:`neb\_spin <neb_spin>`, * :doc:`neb_spin <neb_spin>`, * :doc:`prd <prd>`, * :doc:`rerun <rerun>`, * :doc:`run <run>`, Loading
