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< li class = "toctree-l1" > < a class = "reference internal" href = "Section_intro.html" > 1. Introduction< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_start.html" > 2. Getting Started< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_commands.html" > 3. Commands< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_packages.html" > 4. Packages< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_accelerate.html" > 5. Accelerating LAMMPS performance< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_howto.html" > 6. How-to discussions< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_example.html" > 7. Example problems< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_perf.html" > 8. Performance & scalability< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_tools.html" > 9. Additional tools< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_modify.html" > 10. Modifying & extending LAMMPS< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_python.html" > 11. Python interface to LAMMPS< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_errors.html" > 12. Errors< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_history.html" > 13. Future and history< / a > < / li >
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< H1 > < / H1 > < div class = "section" id = "lammps-documentation" >
< h1 > LAMMPS Documentation< a class = "headerlink" href = "#lammps-documentation" title = "Permalink to this headline" > ¶< / a > < / h1 >
< div class = "section" id = "aug-2015-version" >
< h2 > 10 Aug 2015 version< a class = "headerlink" href = "#aug-2015-version" title = "Permalink to this headline" > ¶< / a > < / h2 >
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< div class = "section" id = "version-info" >
< h2 > Version info:< a class = "headerlink" href = "#version-info" title = "Permalink to this headline" > ¶< / a > < / h2 >
< p > The LAMMPS “ version” is the date when it was released, such as 1 May
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2010. LAMMPS is updated continuously. Whenever we fix a bug or add a
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feature, we release it immediately, and post a notice on < a class = "reference external" href = "http://lammps.sandia.gov/bug.html" > this page of the WWW site< / a > . Each dated copy of LAMMPS contains all the
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features and bug-fixes up to and including that version date. The
version date is printed to the screen and logfile every time you run
LAMMPS. It is also in the file src/version.h and in the LAMMPS
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directory name created when you unpack a tarball, and at the top of
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the first page of the manual (this page).< / p >
< ul class = "simple" >
< li > If you browse the HTML doc pages on the LAMMPS WWW site, they always
describe the most current version of LAMMPS.< / li >
< li > If you browse the HTML doc pages included in your tarball, they
describe the version you have.< / li >
< li > The < a class = "reference external" href = "Manual.pdf" > PDF file< / a > on the WWW site or in the tarball is updated
about once per month. This is because it is large, and we don’ t want
it to be part of every patch.< / li >
< li > There is also a < a class = "reference external" href = "Developer.pdf" > Developer.pdf< / a > file in the doc
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directory, which describes the internal structure and algorithms of
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LAMMPS.< / li >
< / ul >
< p > LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel
Simulator.< / p >
< p > LAMMPS is a classical molecular dynamics simulation code designed to
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run efficiently on parallel computers. It was developed at Sandia
National Laboratories, a US Department of Energy facility, with
funding from the DOE. It is an open-source code, distributed freely
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under the terms of the GNU Public License (GPL).< / p >
< p > The primary developers of LAMMPS are < a class = "reference external" href = "http://www.sandia.gov/~sjplimp" > Steve Plimpton< / a > , Aidan
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Thompson, and Paul Crozier who can be contacted at
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sjplimp,athomps,pscrozi at sandia.gov. The < a class = "reference external" href = "http://lammps.sandia.gov" > LAMMPS WWW Site< / a > at
< a class = "reference external" href = "http://lammps.sandia.gov" > http://lammps.sandia.gov< / a > has more information about the code and its
uses.< / p >
< hr class = "docutils" / >
< p > The LAMMPS documentation is organized into the following sections. If
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you find errors or omissions in this manual or have suggestions for
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useful information to add, please send an email to the developers so
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we can improve the LAMMPS documentation.< / p >
< p > Once you are familiar with LAMMPS, you may want to bookmark < a class = "reference internal" href = "Section_commands.html#comm" > < span > this page< / span > < / a > at Section_commands.html#comm since
it gives quick access to documentation for all LAMMPS commands.< / p >
< p > < a class = "reference external" href = "Manual.pdf" > PDF file< / a > of the entire manual, generated by
< a class = "reference external" href = "http://freecode.com/projects/htmldoc" > htmldoc< / a > < / p >
< div class = "toctree-wrapper compound" >
< ul >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_intro.html" > 1. Introduction< / a > < ul >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_intro.html#what-is-lammps" > 1.1. What is LAMMPS< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_intro.html#lammps-features" > 1.2. LAMMPS features< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_intro.html#lammps-non-features" > 1.3. LAMMPS non-features< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_intro.html#open-source-distribution" > 1.4. Open source distribution< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_intro.html#acknowledgments-and-citations" > 1.5. Acknowledgments and citations< / a > < / li >
< / ul >
< / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_start.html" > 2. Getting Started< / a > < ul >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_start.html#what-s-in-the-lammps-distribution" > 2.1. What’ s in the LAMMPS distribution< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_start.html#making-lammps" > 2.2. Making LAMMPS< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_start.html#making-lammps-with-optional-packages" > 2.3. Making LAMMPS with optional packages< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_start.html#building-lammps-via-the-make-py-script" > 2.4. Building LAMMPS via the Make.py script< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_start.html#building-lammps-as-a-library" > 2.5. Building LAMMPS as a library< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_start.html#running-lammps" > 2.6. Running LAMMPS< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_start.html#command-line-options" > 2.7. Command-line options< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_start.html#lammps-screen-output" > 2.8. LAMMPS screen output< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_start.html#tips-for-users-of-previous-lammps-versions" > 2.9. Tips for users of previous LAMMPS versions< / a > < / li >
< / ul >
< / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_commands.html" > 3. Commands< / a > < ul >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_commands.html#lammps-input-script" > 3.1. LAMMPS input script< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_commands.html#parsing-rules" > 3.2. Parsing rules< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_commands.html#input-script-structure" > 3.3. Input script structure< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_commands.html#commands-listed-by-category" > 3.4. Commands listed by category< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_commands.html#individual-commands" > 3.5. Individual commands< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_commands.html#fix-styles" > 3.6. Fix styles< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_commands.html#compute-styles" > 3.7. Compute styles< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_commands.html#pair-style-potentials" > 3.8. Pair_style potentials< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_commands.html#bond-style-potentials" > 3.9. Bond_style potentials< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_commands.html#angle-style-potentials" > 3.10. Angle_style potentials< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_commands.html#dihedral-style-potentials" > 3.11. Dihedral_style potentials< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_commands.html#improper-style-potentials" > 3.12. Improper_style potentials< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_commands.html#kspace-solvers" > 3.13. Kspace solvers< / a > < / li >
< / ul >
< / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_packages.html" > 4. Packages< / a > < ul >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_packages.html#standard-packages" > 4.1. Standard packages< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_packages.html#user-packages" > 4.2. User packages< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_packages.html#user-atc-package" > 4.3. USER-ATC package< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_packages.html#user-awpmd-package" > 4.4. USER-AWPMD package< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_packages.html#user-cg-cmm-package" > 4.5. USER-CG-CMM package< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_packages.html#user-colvars-package" > 4.6. USER-COLVARS package< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_packages.html#user-cuda-package" > 4.7. USER-CUDA package< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_packages.html#user-diffraction-package" > 4.8. USER-DIFFRACTION package< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_packages.html#user-drude-package" > 4.9. USER-DRUDE package< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_packages.html#user-eff-package" > 4.10. USER-EFF package< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_packages.html#user-fep-package" > 4.11. USER-FEP package< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_packages.html#user-h5md-package" > 4.12. USER-H5MD package< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_packages.html#user-intel-package" > 4.13. USER-INTEL package< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_packages.html#user-lb-package" > 4.14. USER-LB package< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_packages.html#user-misc-package" > 4.15. USER-MISC package< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_packages.html#user-molfile-package" > 4.16. USER-MOLFILE package< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_packages.html#user-omp-package" > 4.17. USER-OMP package< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_packages.html#user-phonon-package" > 4.18. USER-PHONON package< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_packages.html#user-qmmm-package" > 4.19. USER-QMMM package< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_packages.html#user-qtb-package" > 4.20. USER-QTB package< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_packages.html#user-reaxc-package" > 4.21. USER-REAXC package< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_packages.html#user-smd-package" > 4.22. USER-SMD package< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_packages.html#user-sph-package" > 4.23. USER-SPH package< / a > < / li >
< / ul >
< / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_accelerate.html" > 5. Accelerating LAMMPS performance< / a > < ul >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_accelerate.html#measuring-performance" > 5.1. Measuring performance< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_accelerate.html#general-strategies" > 5.2. General strategies< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_accelerate.html#packages-with-optimized-styles" > 5.3. Packages with optimized styles< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_accelerate.html#comparison-of-various-accelerator-packages" > 5.4. Comparison of various accelerator packages< / a > < / li >
< / ul >
< / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_howto.html" > 6. How-to discussions< / a > < ul >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#restarting-a-simulation" > 6.1. Restarting a simulation< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#d-simulations" > 6.2. 2d simulations< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#charmm-amber-and-dreiding-force-fields" > 6.3. CHARMM, AMBER, and DREIDING force fields< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#running-multiple-simulations-from-one-input-script" > 6.4. Running multiple simulations from one input script< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#multi-replica-simulations" > 6.5. Multi-replica simulations< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#granular-models" > 6.6. Granular models< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#tip3p-water-model" > 6.7. TIP3P water model< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#tip4p-water-model" > 6.8. TIP4P water model< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#spc-water-model" > 6.9. SPC water model< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#coupling-lammps-to-other-codes" > 6.10. Coupling LAMMPS to other codes< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#visualizing-lammps-snapshots" > 6.11. Visualizing LAMMPS snapshots< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#triclinic-non-orthogonal-simulation-boxes" > 6.12. Triclinic (non-orthogonal) simulation boxes< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#nemd-simulations" > 6.13. NEMD simulations< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#finite-size-spherical-and-aspherical-particles" > 6.14. Finite-size spherical and aspherical particles< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#output-from-lammps-thermo-dumps-computes-fixes-variables" > 6.15. Output from LAMMPS (thermo, dumps, computes, fixes, variables)< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#thermostatting-barostatting-and-computing-temperature" > 6.16. Thermostatting, barostatting, and computing temperature< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#walls" > 6.17. Walls< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#elastic-constants" > 6.18. Elastic constants< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#library-interface-to-lammps" > 6.19. Library interface to LAMMPS< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#calculating-thermal-conductivity" > 6.20. Calculating thermal conductivity< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#calculating-viscosity" > 6.21. Calculating viscosity< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#calculating-a-diffusion-coefficient" > 6.22. Calculating a diffusion coefficient< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#using-chunks-to-calculate-system-properties" > 6.23. Using chunks to calculate system properties< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#setting-parameters-for-the-kspace-style-pppm-disp-command" > 6.24. Setting parameters for the < code class = "docutils literal" > < span class = "pre" > kspace_style< / span > < span class = "pre" > pppm/disp< / span > < / code > command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#polarizable-models" > 6.25. Polarizable models< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#adiabatic-core-shell-model" > 6.26. Adiabatic core/shell model< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_howto.html#drude-induced-dipoles" > 6.27. Drude induced dipoles< / a > < / li >
< / ul >
< / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_example.html" > 7. Example problems< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_perf.html" > 8. Performance & scalability< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_tools.html" > 9. Additional tools< / a > < ul >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#amber2lmp-tool" > 9.1. amber2lmp tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#binary2txt-tool" > 9.2. binary2txt tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#ch2lmp-tool" > 9.3. ch2lmp tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#chain-tool" > 9.4. chain tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#colvars-tools" > 9.5. colvars tools< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#createatoms-tool" > 9.6. createatoms tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#data2xmovie-tool" > 9.7. data2xmovie tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#eam-database-tool" > 9.8. eam database tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#eam-generate-tool" > 9.9. eam generate tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#eff-tool" > 9.10. eff tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#emacs-tool" > 9.11. emacs tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#fep-tool" > 9.12. fep tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#i-pi-tool" > 9.13. i-pi tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#ipp-tool" > 9.14. ipp tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#kate-tool" > 9.15. kate tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#lmp2arc-tool" > 9.16. lmp2arc tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#lmp2cfg-tool" > 9.17. lmp2cfg tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#lmp2vmd-tool" > 9.18. lmp2vmd tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#matlab-tool" > 9.19. matlab tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#micelle2d-tool" > 9.20. micelle2d tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#moltemplate-tool" > 9.21. moltemplate tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#msi2lmp-tool" > 9.22. msi2lmp tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#phonon-tool" > 9.23. phonon tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#polymer-bonding-tool" > 9.24. polymer bonding tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#pymol-asphere-tool" > 9.25. pymol_asphere tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#python-tool" > 9.26. python tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#reax-tool" > 9.27. reax tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#restart2data-tool" > 9.28. restart2data tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#vim-tool" > 9.29. vim tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#xmgrace-tool" > 9.30. xmgrace tool< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_tools.html#xmovie-tool" > 9.31. xmovie tool< / a > < / li >
< / ul >
< / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_modify.html" > 10. Modifying & extending LAMMPS< / a > < ul >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_modify.html#atom-styles" > 10.1. Atom styles< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_modify.html#bond-angle-dihedral-improper-potentials" > 10.2. Bond, angle, dihedral, improper potentials< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_modify.html#compute-styles" > 10.3. Compute styles< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_modify.html#dump-styles" > 10.4. Dump styles< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_modify.html#dump-custom-output-options" > 10.5. Dump custom output options< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_modify.html#fix-styles" > 10.6. Fix styles< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_modify.html#input-script-commands" > 10.7. Input script commands< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_modify.html#kspace-computations" > 10.8. Kspace computations< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_modify.html#minimization-styles" > 10.9. Minimization styles< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_modify.html#pairwise-potentials" > 10.10. Pairwise potentials< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_modify.html#region-styles" > 10.11. Region styles< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_modify.html#body-styles" > 10.12. Body styles< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_modify.html#thermodynamic-output-options" > 10.13. Thermodynamic output options< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_modify.html#variable-options" > 10.14. Variable options< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_modify.html#submitting-new-features-for-inclusion-in-lammps" > 10.15. Submitting new features for inclusion in LAMMPS< / a > < / li >
< / ul >
< / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_python.html" > 11. Python interface to LAMMPS< / a > < ul >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_python.html#overview-of-running-lammps-from-python" > 11.1. Overview of running LAMMPS from Python< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_python.html#overview-of-using-python-from-a-lammps-script" > 11.2. Overview of using Python from a LAMMPS script< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_python.html#building-lammps-as-a-shared-library" > 11.3. Building LAMMPS as a shared library< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_python.html#installing-the-python-wrapper-into-python" > 11.4. Installing the Python wrapper into Python< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_python.html#extending-python-with-mpi-to-run-in-parallel" > 11.5. Extending Python with MPI to run in parallel< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_python.html#testing-the-python-lammps-interface" > 11.6. Testing the Python-LAMMPS interface< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_python.html#using-lammps-from-python" > 11.7. Using LAMMPS from Python< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_python.html#example-python-scripts-that-use-lammps" > 11.8. Example Python scripts that use LAMMPS< / a > < / li >
< / ul >
< / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_errors.html" > 12. Errors< / a > < ul >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_errors.html#common-problems" > 12.1. Common problems< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_errors.html#reporting-bugs" > 12.2. Reporting bugs< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_errors.html#error-warning-messages" > 12.3. Error & warning messages< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_errors.html#error" > 12.4. Errors:< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_errors.html#warnings" > 12.5. Warnings:< / a > < / li >
< / ul >
< / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_history.html" > 13. Future and history< / a > < ul >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_history.html#coming-attractions" > 13.1. Coming attractions< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "Section_history.html#past-versions" > 13.2. Past versions< / a > < / li >
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