Merge branch 'master' into fix-dummy
sync with latest whitespace changes
This commit is contained in:
Steve Plimpton
23
doc/Makefile
23
doc/Makefile
@ -1,11 +1,12 @@
|
||||
# Makefile for LAMMPS documentation
|
||||
|
||||
SHELL = /bin/bash
|
||||
BUILDDIR = ${PWD}
|
||||
RSTDIR = $(BUILDDIR)/rst
|
||||
BUILDDIR = ${CURDIR}
|
||||
RSTDIR = $(BUILDDIR)/src
|
||||
TXTDIR = $(BUILDDIR)/txt
|
||||
VENV = $(BUILDDIR)/docenv
|
||||
TXT2RST = $(VENV)/bin/txt2rst
|
||||
ANCHORCHECK = $(VENV)/bin/doc_anchor_check
|
||||
ANCHORCHECK = $(VENV)/bin/rst_anchor_check
|
||||
|
||||
PYTHON = $(shell which python3)
|
||||
VIRTUALENV = virtualenv
|
||||
@ -27,8 +28,8 @@ HAS_VIRTUALENV = YES
|
||||
endif
|
||||
|
||||
SPHINXEXTRA = -j $(shell $(PYTHON) -c 'import multiprocessing;print(multiprocessing.cpu_count())')
|
||||
SOURCES=$(filter-out $(wildcard src/lammps_commands*.txt) src/lammps_support.txt src/lammps_tutorials.txt,$(wildcard src/*.txt))
|
||||
OBJECTS=$(SOURCES:src/%.txt=$(RSTDIR)/%.rst)
|
||||
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
|
||||
|
||||
@ -53,7 +54,7 @@ clean-all: clean
|
||||
rm -rf $(BUILDDIR)/docenv $(BUILDDIR)/doctrees
|
||||
|
||||
clean:
|
||||
rm -rf $(RSTDIR)/{Eqs,JPG,*.rst} html epub latex
|
||||
rm -rf html epub latex
|
||||
rm -rf spelling
|
||||
|
||||
clean-spelling:
|
||||
@ -64,12 +65,10 @@ rst: clean $(OBJECTS) $(ANCHORCHECK)
|
||||
html: $(OBJECTS) $(ANCHORCHECK)
|
||||
@(\
|
||||
. $(VENV)/bin/activate ;\
|
||||
cp -r src/JPG $(RSTDIR)/ ;\
|
||||
cp -r src/Eqs $(RSTDIR)/ ;\
|
||||
sphinx-build $(SPHINXEXTRA) -b html -c utils/sphinx-config -d $(BUILDDIR)/doctrees $(RSTDIR) html ;\
|
||||
echo "############################################" ;\
|
||||
doc_anchor_check src/*.txt ;\
|
||||
env LC_ALL=C grep -n '[^ -~]' src/*.txt ;\
|
||||
rst_anchor_check src/*.rst ;\
|
||||
env LC_ALL=C grep -n '[^ -~]' $(RSTDIR)/*.rst ;\
|
||||
echo "############################################" ;\
|
||||
deactivate ;\
|
||||
)
|
||||
@ -126,7 +125,7 @@ pdf: $(OBJECTS) $(ANCHORCHECK)
|
||||
. $(VENV)/bin/activate ;\
|
||||
sphinx-build $(SPHINXEXTRA) -b latex -c utils/sphinx-config -d $(BUILDDIR)/doctrees $(RSTDIR) latex ;\
|
||||
echo "############################################" ;\
|
||||
doc_anchor_check src/*.txt ;\
|
||||
rst_anchor_check src/*.rst ;\
|
||||
echo "############################################" ;\
|
||||
deactivate ;\
|
||||
)
|
||||
@ -163,7 +162,7 @@ fetch:
|
||||
anchor_check : $(ANCHORCHECK)
|
||||
@(\
|
||||
. $(VENV)/bin/activate ;\
|
||||
doc_anchor_check src/*.txt ;\
|
||||
rst_anchor_check src/*.txt ;\
|
||||
deactivate ;\
|
||||
)
|
||||
|
||||
|
||||
@ -1,29 +0,0 @@
|
||||
Angle Styles
|
||||
############
|
||||
|
||||
|
||||
.. toctree::
|
||||
:maxdepth: 1
|
||||
|
||||
angle_charmm
|
||||
angle_class2
|
||||
angle_cosine
|
||||
angle_cosine_buck6d
|
||||
angle_cosine_delta
|
||||
angle_cosine_periodic
|
||||
angle_cosine_shift
|
||||
angle_cosine_shift_exp
|
||||
angle_cosine_squared
|
||||
angle_cross
|
||||
angle_dipole
|
||||
angle_fourier
|
||||
angle_fourier_simple
|
||||
angle_harmonic
|
||||
angle_hybrid
|
||||
angle_mm3
|
||||
angle_none
|
||||
angle_quartic
|
||||
angle_sdk
|
||||
angle_table
|
||||
angle_zero
|
||||
|
||||
@ -1,24 +0,0 @@
|
||||
Bond Styles
|
||||
###########
|
||||
|
||||
|
||||
.. toctree::
|
||||
:maxdepth: 1
|
||||
|
||||
bond_class2
|
||||
bond_fene
|
||||
bond_fene_expand
|
||||
bond_gromos
|
||||
bond_harmonic
|
||||
bond_harmonic_shift
|
||||
bond_harmonic_shift_cut
|
||||
bond_hybrid
|
||||
bond_mm3
|
||||
bond_morse
|
||||
bond_none
|
||||
bond_nonlinear
|
||||
bond_oxdna
|
||||
bond_quartic
|
||||
bond_table
|
||||
bond_zero
|
||||
|
||||
@ -1,136 +0,0 @@
|
||||
Computes
|
||||
########
|
||||
|
||||
|
||||
.. toctree::
|
||||
:maxdepth: 1
|
||||
|
||||
compute_ackland_atom
|
||||
compute_adf
|
||||
compute_angle
|
||||
compute_angle_local
|
||||
compute_angmom_chunk
|
||||
compute_basal_atom
|
||||
compute_body_local
|
||||
compute_bond
|
||||
compute_bond_local
|
||||
compute_centro_atom
|
||||
compute_chunk_atom
|
||||
compute_chunk_spread_atom
|
||||
compute_cluster_atom
|
||||
compute_cna_atom
|
||||
compute_cnp_atom
|
||||
compute_com
|
||||
compute_com_chunk
|
||||
compute_contact_atom
|
||||
compute_coord_atom
|
||||
compute_damage_atom
|
||||
compute_dihedral
|
||||
compute_dihedral_local
|
||||
compute_dilatation_atom
|
||||
compute_dipole_chunk
|
||||
compute_displace_atom
|
||||
compute_dpd
|
||||
compute_dpd_atom
|
||||
compute_edpd_temp_atom
|
||||
compute_entropy_atom
|
||||
compute_erotate_asphere
|
||||
compute_erotate_rigid
|
||||
compute_erotate_sphere
|
||||
compute_erotate_sphere_atom
|
||||
compute_event_displace
|
||||
compute_fep
|
||||
compute_global_atom
|
||||
compute_group_group
|
||||
compute_gyration
|
||||
compute_gyration_chunk
|
||||
compute_gyration_shape
|
||||
compute_heat_flux
|
||||
compute_hexorder_atom
|
||||
compute_hma
|
||||
compute_improper
|
||||
compute_improper_local
|
||||
compute_inertia_chunk
|
||||
compute_ke
|
||||
compute_ke_atom
|
||||
compute_ke_atom_eff
|
||||
compute_ke_eff
|
||||
compute_ke_rigid
|
||||
compute_meso_e_atom
|
||||
compute_meso_rho_atom
|
||||
compute_meso_t_atom
|
||||
compute_momentum
|
||||
compute_msd
|
||||
compute_msd_chunk
|
||||
compute_msd_nongauss
|
||||
compute_omega_chunk
|
||||
compute_orientorder_atom
|
||||
compute_pair
|
||||
compute_pair_local
|
||||
compute_pe
|
||||
compute_pe_atom
|
||||
compute_plasticity_atom
|
||||
compute_pressure
|
||||
compute_pressure_cylinder
|
||||
compute_pressure_uef
|
||||
compute_property_atom
|
||||
compute_property_chunk
|
||||
compute_property_local
|
||||
compute_ptm_atom
|
||||
compute_rdf
|
||||
compute_reduce
|
||||
compute_reduce_chunk
|
||||
compute_rigid_local
|
||||
compute_saed
|
||||
compute_slice
|
||||
compute_smd_contact_radius
|
||||
compute_smd_damage
|
||||
compute_smd_hourglass_error
|
||||
compute_smd_internal_energy
|
||||
compute_smd_plastic_strain
|
||||
compute_smd_plastic_strain_rate
|
||||
compute_smd_rho
|
||||
compute_smd_tlsph_defgrad
|
||||
compute_smd_tlsph_dt
|
||||
compute_smd_tlsph_num_neighs
|
||||
compute_smd_tlsph_shape
|
||||
compute_smd_tlsph_strain
|
||||
compute_smd_tlsph_strain_rate
|
||||
compute_smd_tlsph_stress
|
||||
compute_smd_triangle_vertices
|
||||
compute_smd_ulsph_num_neighs
|
||||
compute_smd_ulsph_strain
|
||||
compute_smd_ulsph_strain_rate
|
||||
compute_smd_ulsph_stress
|
||||
compute_smd_vol
|
||||
compute_sna_atom
|
||||
compute_spin
|
||||
compute_stress_atom
|
||||
compute_stress_mop
|
||||
compute_tally
|
||||
compute_tdpd_cc_atom
|
||||
compute_temp
|
||||
compute_temp_asphere
|
||||
compute_temp_body
|
||||
compute_temp_chunk
|
||||
compute_temp_com
|
||||
compute_temp_cs
|
||||
compute_temp_deform
|
||||
compute_temp_deform_eff
|
||||
compute_temp_drude
|
||||
compute_temp_eff
|
||||
compute_temp_partial
|
||||
compute_temp_profile
|
||||
compute_temp_ramp
|
||||
compute_temp_region
|
||||
compute_temp_region_eff
|
||||
compute_temp_rotate
|
||||
compute_temp_sphere
|
||||
compute_temp_uef
|
||||
compute_ti
|
||||
compute_torque_chunk
|
||||
compute_vacf
|
||||
compute_vcm_chunk
|
||||
compute_voronoi_atom
|
||||
compute_xrd
|
||||
|
||||
@ -1,39 +0,0 @@
|
||||
Dihedral Styles
|
||||
###############
|
||||
|
||||
|
||||
.. toctree::
|
||||
:maxdepth: 1
|
||||
|
||||
dihedral_charmm
|
||||
dihedral_class2
|
||||
dihedral_cosine_shift_exp
|
||||
dihedral_fourier
|
||||
dihedral_harmonic
|
||||
dihedral_helix
|
||||
dihedral_hybrid
|
||||
dihedral_multi_harmonic
|
||||
dihedral_nharmonic
|
||||
dihedral_none
|
||||
dihedral_opls
|
||||
dihedral_quadratic
|
||||
dihedral_spherical
|
||||
dihedral_table
|
||||
dihedral_table_cut
|
||||
dihedral_zero
|
||||
dihedral_charmm
|
||||
dihedral_class2
|
||||
dihedral_cosine_shift_exp
|
||||
dihedral_fourier
|
||||
dihedral_harmonic
|
||||
dihedral_helix
|
||||
dihedral_hybrid
|
||||
dihedral_multi_harmonic
|
||||
dihedral_nharmonic
|
||||
dihedral_none
|
||||
dihedral_opls
|
||||
dihedral_quadratic
|
||||
dihedral_spherical
|
||||
dihedral_table
|
||||
dihedral_zero
|
||||
|
||||
@ -1,189 +0,0 @@
|
||||
Fixes
|
||||
#####
|
||||
|
||||
|
||||
.. toctree::
|
||||
:maxdepth: 1
|
||||
|
||||
fix_adapt
|
||||
fix_adapt_fep
|
||||
fix_addforce
|
||||
fix_addtorque
|
||||
fix_append_atoms
|
||||
fix_atc
|
||||
fix_atom_swap
|
||||
fix_ave_atom
|
||||
fix_ave_chunk
|
||||
fix_ave_correlate
|
||||
fix_ave_correlate_long
|
||||
fix_ave_histo
|
||||
fix_ave_time
|
||||
fix_aveforce
|
||||
fix_balance
|
||||
fix_bocs
|
||||
fix_bond_break
|
||||
fix_bond_create
|
||||
fix_bond_swap
|
||||
fix_bond_react
|
||||
fix_box_relax
|
||||
fix_client_md
|
||||
fix_cmap
|
||||
fix_colvars
|
||||
fix_controller
|
||||
fix_deform
|
||||
fix_deposit
|
||||
fix_drag
|
||||
fix_drude
|
||||
fix_drude_transform
|
||||
fix_dpd_energy
|
||||
fix_dpd_source
|
||||
fix_dt_reset
|
||||
fix_efield
|
||||
fix_ehex
|
||||
fix_electron_stopping
|
||||
fix_enforce2d
|
||||
fix_eos_cv
|
||||
fix_eos_table
|
||||
fix_eos_table_rx
|
||||
fix_evaporate
|
||||
fix_external
|
||||
fix_ffl
|
||||
fix_filter_corotate
|
||||
fix_flow_gauss
|
||||
fix_freeze
|
||||
fix_gcmc
|
||||
fix_gld
|
||||
fix_gle
|
||||
fix_gravity
|
||||
fix_grem
|
||||
fix_halt
|
||||
fix_heat
|
||||
fix_hyper_global
|
||||
fix_hyper_local
|
||||
fix_imd
|
||||
fix_indent
|
||||
fix_ipi
|
||||
fix_langevin
|
||||
fix_langevin_drude
|
||||
fix_langevin_eff
|
||||
fix_langevin_spin
|
||||
fix_latte
|
||||
fix_lb_fluid
|
||||
fix_lb_momentum
|
||||
fix_lb_pc
|
||||
fix_lb_rigid_pc_sphere
|
||||
fix_lb_viscous
|
||||
fix_lineforce
|
||||
fix_manifoldforce
|
||||
fix_meso
|
||||
fix_meso_move
|
||||
fix_meso_stationary
|
||||
fix_momentum
|
||||
fix_move
|
||||
fix_mscg
|
||||
fix_msst
|
||||
fix_mvv_dpd
|
||||
fix_neb
|
||||
fix_neb_spin
|
||||
fix_nh
|
||||
fix_nh_eff
|
||||
fix_nh_uef
|
||||
fix_nph_asphere
|
||||
fix_nph_body
|
||||
fix_nph_sphere
|
||||
fix_nphug
|
||||
fix_npt_asphere
|
||||
fix_npt_body
|
||||
fix_npt_sphere
|
||||
fix_nve
|
||||
fix_nve_asphere
|
||||
fix_nve_asphere_noforce
|
||||
fix_nve_awpmd
|
||||
fix_nve_body
|
||||
fix_nve_dot
|
||||
fix_nve_dotc_langevin
|
||||
fix_nve_eff
|
||||
fix_nve_limit
|
||||
fix_nve_line
|
||||
fix_nve_manifold_rattle
|
||||
fix_nve_noforce
|
||||
fix_nve_sphere
|
||||
fix_nve_spin
|
||||
fix_nve_tri
|
||||
fix_nvk
|
||||
fix_nvt_asphere
|
||||
fix_nvt_body
|
||||
fix_nvt_manifold_rattle
|
||||
fix_nvt_sllod
|
||||
fix_nvt_sllod_eff
|
||||
fix_nvt_sphere
|
||||
fix_oneway
|
||||
fix_orient
|
||||
fix_phonon
|
||||
fix_pimd
|
||||
fix_planeforce
|
||||
fix_plumed
|
||||
fix_poems
|
||||
fix_pour
|
||||
fix_precession_spin
|
||||
fix_press_berendsen
|
||||
fix_print
|
||||
fix_property_atom
|
||||
fix_python_invoke
|
||||
fix_python_move
|
||||
fix_qbmsst
|
||||
fix_qeq
|
||||
fix_qeq_comb
|
||||
fix_qeq_reax
|
||||
fix_qmmm
|
||||
fix_qtb
|
||||
fix_reaxc_bonds
|
||||
fix_reaxc_species
|
||||
fix_recenter
|
||||
fix_restrain
|
||||
fix_rhok
|
||||
fix_rigid
|
||||
fix_rigid_meso
|
||||
fix_rx
|
||||
fix_saed_vtk
|
||||
fix_setforce
|
||||
fix_shake
|
||||
fix_shardlow
|
||||
fix_smd
|
||||
fix_smd_adjust_dt
|
||||
fix_smd_integrate_tlsph
|
||||
fix_smd_integrate_ulsph
|
||||
fix_smd_move_triangulated_surface
|
||||
fix_smd_setvel
|
||||
fix_smd_wall_surface
|
||||
fix_spring
|
||||
fix_spring_chunk
|
||||
fix_spring_rg
|
||||
fix_spring_self
|
||||
fix_srd
|
||||
fix_store_force
|
||||
fix_store_state
|
||||
fix_temp_berendsen
|
||||
fix_temp_csvr
|
||||
fix_temp_rescale
|
||||
fix_temp_rescale_eff
|
||||
fix_tfmc
|
||||
fix_thermal_conductivity
|
||||
fix_ti_spring
|
||||
fix_tmd
|
||||
fix_ttm
|
||||
fix_tune_kspace
|
||||
fix_vector
|
||||
fix_viscosity
|
||||
fix_viscous
|
||||
fix_wall
|
||||
fix_wall_body_polygon
|
||||
fix_wall_body_polyhedron
|
||||
fix_wall_ees
|
||||
fix_wall_gran
|
||||
fix_wall_gran_region
|
||||
fix_wall_piston
|
||||
fix_wall_reflect
|
||||
fix_wall_region
|
||||
fix_wall_srd
|
||||
|
||||
@ -1,22 +0,0 @@
|
||||
Improper Styles
|
||||
###############
|
||||
|
||||
|
||||
.. toctree::
|
||||
:maxdepth: 1
|
||||
|
||||
improper_class2
|
||||
improper_cossq
|
||||
improper_cvff
|
||||
improper_distance
|
||||
improper_distharm
|
||||
improper_fourier
|
||||
improper_harmonic
|
||||
improper_hybrid
|
||||
improper_inversion_harmonic
|
||||
improper_none
|
||||
improper_ring
|
||||
improper_umbrella
|
||||
improper_sqdistharm
|
||||
improper_zero
|
||||
|
||||
@ -1,130 +0,0 @@
|
||||
Pair Styles
|
||||
###########
|
||||
|
||||
|
||||
.. toctree::
|
||||
:maxdepth: 1
|
||||
|
||||
pair_adp
|
||||
pair_agni
|
||||
pair_airebo
|
||||
pair_atm
|
||||
pair_awpmd
|
||||
pair_beck
|
||||
pair_body_nparticle
|
||||
pair_body_rounded_polygon
|
||||
pair_body_rounded_polyhedron
|
||||
pair_bop
|
||||
pair_born
|
||||
pair_brownian
|
||||
pair_buck
|
||||
pair_buck_long
|
||||
pair_buck6d_coul_gauss
|
||||
pair_charmm
|
||||
pair_class2
|
||||
pair_colloid
|
||||
pair_comb
|
||||
pair_cosine_squared
|
||||
pair_coul
|
||||
pair_coul_diel
|
||||
pair_coul_shield
|
||||
pair_cs
|
||||
pair_dipole
|
||||
pair_dpd
|
||||
pair_dpd_fdt
|
||||
pair_drip
|
||||
pair_dsmc
|
||||
pair_e3b
|
||||
pair_eam
|
||||
pair_edip
|
||||
pair_eff
|
||||
pair_eim
|
||||
pair_exp6_rx
|
||||
pair_extep
|
||||
pair_fep_soft
|
||||
pair_gauss
|
||||
pair_gayberne
|
||||
pair_gran
|
||||
pair_granular
|
||||
pair_gromacs
|
||||
pair_gw
|
||||
pair_hbond_dreiding
|
||||
pair_hybrid
|
||||
pair_ilp_graphene_hbn
|
||||
pair_kim
|
||||
pair_kolmogorov_crespi_full
|
||||
pair_kolmogorov_crespi_z
|
||||
pair_lcbop
|
||||
pair_lebedeva_z
|
||||
pair_line_lj
|
||||
pair_list
|
||||
pair_lj
|
||||
pair_lj96
|
||||
pair_lj_cubic
|
||||
pair_lj_expand
|
||||
pair_lj_long
|
||||
pair_lj_smooth
|
||||
pair_lj_smooth_linear
|
||||
pair_lj_switch3_coulgauss
|
||||
pair_local_density
|
||||
pair_lubricate
|
||||
pair_lubricateU
|
||||
pair_mdf
|
||||
pair_meamc
|
||||
pair_meam_spline
|
||||
pair_meam_sw_spline
|
||||
pair_meso
|
||||
pair_mgpt
|
||||
pair_mie
|
||||
pair_mm3_switch3_coulgauss
|
||||
pair_momb
|
||||
pair_morse
|
||||
pair_multi_lucy
|
||||
pair_multi_lucy_rx
|
||||
pair_nb3b_harmonic
|
||||
pair_nm
|
||||
pair_none
|
||||
pair_oxdna
|
||||
pair_oxdna2
|
||||
pair_peri
|
||||
pair_polymorphic
|
||||
pair_python
|
||||
pair_quip
|
||||
pair_reaxc
|
||||
pair_resquared
|
||||
pair_sdk
|
||||
pair_sdpd_taitwater_isothermal
|
||||
pair_smd_hertz
|
||||
pair_smd_tlsph
|
||||
pair_smd_triangulated_surface
|
||||
pair_smd_ulsph
|
||||
pair_smtbq
|
||||
pair_snap
|
||||
pair_soft
|
||||
pair_sph_heatconduction
|
||||
pair_sph_idealgas
|
||||
pair_sph_lj
|
||||
pair_sph_rhosum
|
||||
pair_sph_taitwater
|
||||
pair_sph_taitwater_morris
|
||||
pair_spin_dipole
|
||||
pair_spin_dmi
|
||||
pair_spin_exchange
|
||||
pair_spin_magelec
|
||||
pair_spin_neel
|
||||
pair_srp
|
||||
pair_sw
|
||||
pair_table
|
||||
pair_table_rx
|
||||
pair_tersoff
|
||||
pair_tersoff_mod
|
||||
pair_tersoff_zbl
|
||||
pair_thole
|
||||
pair_tri_lj
|
||||
pair_ufm
|
||||
pair_vashishta
|
||||
pair_yukawa
|
||||
pair_yukawa_colloid
|
||||
pair_zbl
|
||||
pair_zero
|
||||
|
||||
0
doc/rst/.gitignore → doc/src/.gitignore
vendored
0
doc/rst/.gitignore → doc/src/.gitignore
vendored
@ -1254,11 +1254,11 @@ lib/quip/README file for details on how to do this.
|
||||
|
||||
.. parsed-literal::
|
||||
|
||||
-D QUIP_LIBRARIES=path # path to libquip.a (only needed if a custom location)
|
||||
-D QUIP_LIBRARY=path # path to libquip.a (only needed if a custom location)
|
||||
|
||||
CMake will not download and build the QUIP library. But once you have
|
||||
done that, a CMake build of LAMMPS with "-D PKG\_USER-QUIP=yes" should
|
||||
work. Set QUIP\_LIBRARIES if CMake cannot find the QUIP library.
|
||||
work. Set QUIP\_LIBRARY if CMake cannot find the QUIP library.
|
||||
|
||||
**Traditional make**\ :
|
||||
|
||||
@ -1,8 +1,8 @@
|
||||
LAMMPS Documentation
|
||||
####################
|
||||
|
||||
30 Oct 2019 version
|
||||
*******************
|
||||
|version| version
|
||||
*****************
|
||||
|
||||
:doc:`What is a LAMMPS version? <Manual_version>`
|
||||
|
||||
@ -1,124 +0,0 @@
|
||||
<!-- HTML_ONLY -->
|
||||
<HEAD>
|
||||
<TITLE>LAMMPS Users Manual</TITLE>
|
||||
<META NAME="docnumber" CONTENT="30 Oct 2019 version">
|
||||
<META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories">
|
||||
<META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License.">
|
||||
</HEAD>
|
||||
|
||||
<BODY>
|
||||
|
||||
<H1></H1>
|
||||
|
||||
<!-- END_HTML_ONLY -->
|
||||
|
||||
"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#comm)
|
||||
|
||||
:line
|
||||
|
||||
LAMMPS Documentation :c,h1
|
||||
30 Oct 2019 version :c,h2
|
||||
|
||||
"What is a LAMMPS version?"_Manual_version.html
|
||||
|
||||
LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel
|
||||
Simulator.
|
||||
|
||||
LAMMPS is a classical molecular dynamics simulation code with a focus
|
||||
on materials modeling. It was designed to run efficiently on parallel
|
||||
computers. It was developed originally at Sandia National
|
||||
Laboratories, a US Department of Energy facility. The majority of
|
||||
funding for LAMMPS has come from the US Department of Energy (DOE).
|
||||
LAMMPS is an open-source code, distributed freely under the terms of
|
||||
the GNU Public License (GPL).
|
||||
|
||||
The "LAMMPS website"_lws has a variety of information about the code.
|
||||
It includes links to an on-line version of this manual, a "mailing
|
||||
list"_http://lammps.sandia.gov/mail.html where users can post
|
||||
questions, and a "GitHub site"_https://github.com/lammps/lammps where
|
||||
all LAMMPS development is coordinated.
|
||||
|
||||
:line
|
||||
|
||||
The content for this manual is part of the LAMMPS distribution. You
|
||||
can build a local copy of the Manual as HTML pages or a PDF file, by
|
||||
following the steps on the "Manual build"_Manual_build.html doc page.
|
||||
There is also a "Developer.pdf"_Developer.pdf document which gives
|
||||
a brief description of the basic code structure of LAMMPS.
|
||||
|
||||
:line
|
||||
|
||||
Once you are familiar with LAMMPS, you may want to bookmark "this
|
||||
page"_Commands.html since it gives quick access to a doc page for
|
||||
every LAMMPS command.
|
||||
|
||||
<!-- RST
|
||||
|
||||
.. toctree::
|
||||
:maxdepth: 2
|
||||
:numbered: 3
|
||||
:caption: User Documentation
|
||||
:name: userdoc
|
||||
:includehidden:
|
||||
|
||||
Intro
|
||||
Install
|
||||
Build
|
||||
Run_head
|
||||
Commands
|
||||
Packages
|
||||
Speed
|
||||
Howto
|
||||
Examples
|
||||
Tools
|
||||
Modify
|
||||
Python_head
|
||||
Errors
|
||||
Manual_build
|
||||
|
||||
.. toctree::
|
||||
:caption: Index
|
||||
:name: index
|
||||
:hidden:
|
||||
|
||||
commands_list
|
||||
fixes
|
||||
computes
|
||||
pairs
|
||||
bonds
|
||||
angles
|
||||
dihedrals
|
||||
impropers
|
||||
|
||||
Indices and tables
|
||||
==================
|
||||
|
||||
* :ref:`genindex`
|
||||
* :ref:`search`
|
||||
|
||||
END_RST -->
|
||||
|
||||
<!-- HTML_ONLY -->
|
||||
"Introduction"_Intro.html :olb,l
|
||||
"Install LAMMPS"_Install.html :l
|
||||
"Build LAMMPS"_Build.html :l
|
||||
"Run LAMMPS"_Run_head.html :l
|
||||
"Commands"_Commands.html :l
|
||||
"Optional packages"_Packages.html :l
|
||||
"Accelerate performance"_Speed.html :l
|
||||
"How-to discussions"_Howto.html :l
|
||||
"Example scripts"_Examples.html :l
|
||||
"Auxiliary tools"_Tools.html :l
|
||||
"Modify & extend LAMMPS"_Modify.html :l
|
||||
"Use Python with LAMMPS"_Python_head.html :l
|
||||
"Errors"_Errors.html :l
|
||||
"Building the LAMMPS manual"_Manual_build.html :l
|
||||
:ole
|
||||
|
||||
<!-- END_HTML_ONLY -->
|
||||
|
||||
</BODY>
|
||||
Some files were not shown because too many files have changed in this diff Show More
Reference in New Issue
Block a user