forked from lijiext/lammps
192 lines
3.9 KiB
Plaintext
192 lines
3.9 KiB
Plaintext
![]() |
"Previous Section"_Performance.html - "LAMMPS WWW Site"_lws -
|
||
|
"LAMMPS Documentation"_ld - "LAMMPS Commands"_lc - "Next
|
||
|
Section"_Examples.html :c
|
||
|
|
||
|
:link(lws,http://lammps.sandia.gov)
|
||
|
:link(ld,Manual.html)
|
||
|
:link(lc,Commands.html#comm)
|
||
|
|
||
|
:line
|
||
|
|
||
![]() |
Howto discussions :h2
|
||
![]() |
|
||
|
These doc pages describe how to perform various tasks with LAMMPS,
|
||
|
both for users and developers. The
|
||
|
"glossary"_http://lammps.sandia.gov website page also lists MD
|
||
![]() |
terminology with links to corresponding LAMMPS manual pages. The
|
||
|
example input scripts included in the examples dir of the LAMMPS
|
||
![]() |
distribution and highlighted on the "Examples"_Examples.html doc page
|
||
|
also show how to setup and run various kinds of simulations.
|
||
|
|
||
![]() |
Tutorials howto :h3
|
||
![]() |
|
||
![]() |
<!-- RST
|
||
![]() |
|
||
![]() |
.. toctree::
|
||
|
:name: tutorials
|
||
|
:maxdepth: 1
|
||
![]() |
|
||
![]() |
Howto_github
|
||
|
Howto_pylammps
|
||
|
Howto_bash
|
||
![]() |
|
||
![]() |
END_RST -->
|
||
![]() |
|
||
![]() |
<!-- HTML_ONLY -->
|
||
![]() |
|
||
![]() |
"Using GitHub with LAMMPS"_Howto_github.html
|
||
|
"PyLAMMPS interface to LAMMPS"_Howto_pylammps.html
|
||
|
"Using LAMMPS with bash on Windows"_Howto_bash.html :all(b)
|
||
![]() |
|
||
![]() |
<!-- END_HTML_ONLY -->
|
||
![]() |
|
||
![]() |
General howto :h3
|
||
![]() |
|
||
![]() |
<!-- RST
|
||
![]() |
|
||
![]() |
.. toctree::
|
||
![]() |
:name: general_howto
|
||
![]() |
:maxdepth: 1
|
||
![]() |
|
||
![]() |
Howto_restart
|
||
|
Howto_viz
|
||
|
Howto_multiple
|
||
|
Howto_replica
|
||
|
Howto_library
|
||
|
Howto_couple
|
||
![]() |
Howto_client_server
|
||
![]() |
|
||
![]() |
END_RST -->
|
||
![]() |
|
||
![]() |
<!-- HTML_ONLY -->
|
||
![]() |
|
||
|
"Restart a simulation"_Howto_restart.html
|
||
|
"Visualize LAMMPS snapshots"_Howto_viz.html
|
||
|
"Run multiple simulations from one input script"_Howto_multiple.html
|
||
|
"Multi-replica simulations"_Howto_replica.html
|
||
|
"Library interface to LAMMPS"_Howto_library.html
|
||
![]() |
"Couple LAMMPS to other codes"_Howto_couple.html
|
||
|
"Using LAMMPS in client/server mode"_Howto_client_server.html :all(b)
|
||
![]() |
|
||
![]() |
<!-- END_HTML_ONLY -->
|
||
|
|
||
![]() |
Settings howto :h3
|
||
|
|
||
![]() |
<!-- RST
|
||
|
|
||
|
.. toctree::
|
||
|
:name: settings
|
||
|
:maxdepth: 1
|
||
|
|
||
|
Howto_2d
|
||
|
Howto_triclinic
|
||
|
Howto_thermostat
|
||
|
Howto_barostat
|
||
|
Howto_walls
|
||
|
Howto_nemd
|
||
|
Howto_dispersion
|
||
|
|
||
|
END_RST -->
|
||
|
|
||
|
<!-- HTML_ONLY -->
|
||
|
|
||
![]() |
"2d simulations"_Howto_2d.html
|
||
|
"Triclinic (non-orthogonal) simulation boxes"_Howto_triclinic.html
|
||
![]() |
"Thermostats"_Howto_thermostat.html
|
||
|
"Barostats"_Howto_barostat.html
|
||
![]() |
"Walls"_Howto_walls.html
|
||
|
"NEMD simulations"_Howto_nemd.html
|
||
|
"Long-range dispersion settings"_Howto_dispersion.html :all(b)
|
||
|
|
||
![]() |
<!-- END_HTML_ONLY -->
|
||
|
|
||
|
|
||
![]() |
Analysis howto :h3
|
||
|
|
||
![]() |
<!-- RST
|
||
|
|
||
|
.. toctree::
|
||
|
:name: analysis
|
||
|
:maxdepth: 1
|
||
|
|
||
|
Howto_output
|
||
|
Howto_chunk
|
||
|
Howto_temperature
|
||
|
Howto_elastic
|
||
|
Howto_kappa
|
||
|
Howto_viscosity
|
||
|
Howto_diffusion
|
||
|
|
||
|
END_RST -->
|
||
|
|
||
|
<!-- HTML_ONLY -->
|
||
|
|
||
![]() |
"Output from LAMMPS (thermo, dumps, computes, fixes, variables)"_Howto_output.html
|
||
|
"Use chunks to calculate system properties"_Howto_chunk.html :all(b)
|
||
|
"Calculate temperature"_Howto_temperature.html
|
||
![]() |
"Calculate elastic constants"_Howto_elastic.html
|
||
|
"Calculate thermal conductivity"_Howto_kappa.html
|
||
|
"Calculate viscosity"_Howto_viscosity.html
|
||
|
"Calculate a diffusion coefficient"_Howto_diffusion.html :all(b)
|
||
|
|
||
![]() |
<!-- END_HTML_ONLY -->
|
||
|
|
||
![]() |
Force fields howto :h3
|
||
|
|
||
![]() |
<!-- RST
|
||
|
|
||
|
.. toctree::
|
||
|
:name: force
|
||
|
:maxdepth: 1
|
||
|
|
||
|
Howto_bioFF
|
||
|
Howto_tip3p
|
||
|
Howto_tip4p
|
||
|
Howto_spc
|
||
|
|
||
|
END_RST -->
|
||
|
|
||
|
<!-- HTML_ONLY -->
|
||
|
|
||
![]() |
"CHARMM, AMBER, COMPASS, and DREIDING force fields"_Howto_bioFF.html
|
||
![]() |
"TIP3P water model"_Howto_tip3p.html
|
||
|
"TIP4P water model"_Howto_tip4p.html
|
||
|
"SPC water model"_Howto_spc.html :all(b)
|
||
|
|
||
![]() |
<!-- END_HTML_ONLY -->
|
||
|
|
||
![]() |
Packages howto :h3
|
||
|
|
||
![]() |
<!-- RST
|
||
|
|
||
|
.. toctree::
|
||
|
:name: packages
|
||
|
:maxdepth: 1
|
||
|
|
||
|
Howto_spherical
|
||
|
Howto_granular
|
||
|
Howto_body
|
||
|
Howto_polarizable
|
||
|
Howto_coreshell
|
||
|
Howto_drude
|
||
|
Howto_drude2
|
||
|
Howto_manifold
|
||
|
Howto_spins
|
||
|
|
||
|
END_RST -->
|
||
|
|
||
|
|
||
|
<!-- HTML_ONLY -->
|
||
|
|
||
![]() |
"Finite-size spherical and aspherical particles"_Howto_spherical.html
|
||
|
"Granular models"_Howto_granular.html
|
||
![]() |
"Body style particles"_Howto_body.html
|
||
|
"Polarizable models"_Howto_polarizable.html
|
||
|
"Adiabatic core/shell model"_Howto_coreshell.html
|
||
|
"Drude induced dipoles"_Howto_drude.html
|
||
![]() |
"Drude induced dipoles (extended)"_Howto_drude2.html
|
||
![]() |
"Manifolds (surfaces)"_Howto_manifold.html
|
||
![]() |
"Magnetic spins"_Howto_spins.html :all(b)
|
||
![]() |
|
||
|
<!-- END_HTML_ONLY -->
|