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Title: 10.6.5. LAMMPS Python Tutorial — LAMMPS documentation

direct link

Domain: docs.lammps.org

Links:

https://docs.lammps.org/Manual.html
1. Introductionhttps://docs.lammps.org/Intro.html
2. Install LAMMPShttps://docs.lammps.org/Install.html
3. Build LAMMPShttps://docs.lammps.org/Build.html
4. Run LAMMPShttps://docs.lammps.org/Run_head.html
5. Errorshttps://docs.lammps.org/Errors.html
6. Commandshttps://docs.lammps.org/Commands.html
7. Accelerate performancehttps://docs.lammps.org/Speed.html
8. Optional packageshttps://docs.lammps.org/Packages.html
9. Auxiliary toolshttps://docs.lammps.org/Tools.html
10. Howto discussionshttps://docs.lammps.org/Howto.html
10.1. General howtohttps://docs.lammps.org/Howto.html#general-howto
10.2. Settings howtohttps://docs.lammps.org/Howto.html#settings-howto
10.3. Analysis howtohttps://docs.lammps.org/Howto.html#analysis-howto
10.4. Force fields howtohttps://docs.lammps.org/Howto.html#force-fields-howto
10.5. Packages howtohttps://docs.lammps.org/Howto.html#packages-howto
10.6. Tutorials howtohttps://docs.lammps.org/Howto.html#tutorials-howto
10.6.1. Using CMake with LAMMPShttps://docs.lammps.org/Howto_cmake.html
10.6.2. LAMMPS GitHub tutorialhttps://docs.lammps.org/Howto_github.html
10.6.3. Using LAMMPS-GUIhttps://docs.lammps.org/Howto_lammps_gui.html
10.6.4. Moltemplate Tutorialhttps://docs.lammps.org/Howto_moltemplate.html
10.6.5. LAMMPS Python Tutorialhttps://docs.lammps.org/Howto_python.html
10.6.6. Using LAMMPS on Windows 10 with WSLhttps://docs.lammps.org/Howto_wsl.html
11. Example scriptshttps://docs.lammps.org/Examples.html
1. LAMMPS Library Interfaceshttps://docs.lammps.org/Library.html
2. Use Python with LAMMPShttps://docs.lammps.org/Python_head.html
3. Modifying & extending LAMMPShttps://docs.lammps.org/Modify.html
4. Information for Developershttps://docs.lammps.org/Developer.html
Commandshttps://docs.lammps.org/commands_list.html
Fix Styleshttps://docs.lammps.org/fixes.html
Compute Styleshttps://docs.lammps.org/computes.html
Pair Styleshttps://docs.lammps.org/pairs.html
Bond Styleshttps://docs.lammps.org/bonds.html
Angle Styleshttps://docs.lammps.org/angles.html
Dihedral Styleshttps://docs.lammps.org/dihedrals.html
Improper Styleshttps://docs.lammps.org/impropers.html
Dump Styleshttps://docs.lammps.org/dumps.html
Bibliographyhttps://docs.lammps.org/Bibliography.html
Indexhttps://docs.lammps.org/genindex.html
LAMMPShttps://docs.lammps.org/Manual.html
https://docs.lammps.org/Manual.html
10. Howto discussionshttps://docs.lammps.org/Howto.html
https://www.lammps.org
Commandshttps://docs.lammps.org/Commands_all.html
Previoushttps://docs.lammps.org/Howto_moltemplate.html
Next https://docs.lammps.org/Howto_wsl.html
https://docs.lammps.org/Howto_python.html#lammps-python-tutorial
Overviewhttps://docs.lammps.org/Howto_python.html#overview
Quick Starthttps://docs.lammps.org/Howto_python.html#quick-start
System-wide or User Installationhttps://docs.lammps.org/Howto_python.html#system-wide-or-user-installation
Step 1: Building LAMMPS as a shared libraryhttps://docs.lammps.org/Howto_python.html#step-1-building-lammps-as-a-shared-library
Step 2: Installing the LAMMPS Python modulehttps://docs.lammps.org/Howto_python.html#step-2-installing-the-lammps-python-module
Installation inside of a virtual environmenthttps://docs.lammps.org/Howto_python.html#installation-inside-of-a-virtual-environment
Benefits of using a virtualenvhttps://docs.lammps.org/Howto_python.html#benefits-of-using-a-virtualenv
Creating a virtualenv with lammps installedhttps://docs.lammps.org/Howto_python.html#creating-a-virtualenv-with-lammps-installed
Creating a new lammps instancehttps://docs.lammps.org/Howto_python.html#creating-a-new-lammps-instance
Commandshttps://docs.lammps.org/Howto_python.html#commands
Accessing atom datahttps://docs.lammps.org/Howto_python.html#accessing-atom-data
Retrieving the values of thermodynamic data and variableshttps://docs.lammps.org/Howto_python.html#retrieving-the-values-of-thermodynamic-data-and-variables
Error handlinghttps://docs.lammps.org/Howto_python.html#error-handling
Using LAMMPS in IPython notebooks and Jupyterhttps://docs.lammps.org/Howto_python.html#using-lammps-in-ipython-notebooks-and-jupyter
Interactive Python Exampleshttps://docs.lammps.org/Howto_python.html#interactive-python-examples
Validating a dihedral potentialhttps://docs.lammps.org/Howto_python.html#validating-a-dihedral-potential
Running a Monte Carlo relaxationhttps://docs.lammps.org/Howto_python.html#running-a-monte-carlo-relaxation
Overviewhttps://docs.lammps.org/Howto_python.html#id2
https://docs.lammps.org/Howto_python.html#overview
lammpshttps://docs.lammps.org/Python_module.html#lammps.lammps
C language library interface APIhttps://docs.lammps.org/Library.html#lammps-c-api
Python ctypeshttps://docs.python.org/3/library/ctypes.html
ctypeshttps://docs.python.org/3/library/ctypes.html
lammpshttps://docs.lammps.org/Python_module.html#lammps.lammps
IPython integrationhttps://ipython.org/
Jupyter notebookshttps://jupyter.org/
dump style imagehttps://docs.lammps.org/dump_image.html
Quick Starthttps://docs.lammps.org/Howto_python.html#id3
https://docs.lammps.org/Howto_python.html#quick-start
System-wide or User Installationhttps://docs.lammps.org/Howto_python.html#id4
https://docs.lammps.org/Howto_python.html#system-wide-or-user-installation
Step 1: Building LAMMPS as a shared libraryhttps://docs.lammps.org/Howto_python.html#id5
https://docs.lammps.org/Howto_python.html#step-1-building-lammps-as-a-shared-library
MOLECULE packagehttps://docs.lammps.org/Packages_details.html#pkg-molecule
PNG, JPEG and FFMPEG output supporthttps://docs.lammps.org/Build_extras.html#graphics
Step 2: Installing the LAMMPS Python modulehttps://docs.lammps.org/Howto_python.html#id6
https://docs.lammps.org/Howto_python.html#step-2-installing-the-lammps-python-module
“wheel”https://packaging.python.org/en/latest/discussions/package-formats/#what-is-a-wheel
Python Packaging User Guidehttps://packaging.python.org/en/latest/specifications/externally-managed-environments/
Installation inside of a virtual environmenthttps://docs.lammps.org/Howto_python.html#id7
https://docs.lammps.org/Howto_python.html#installation-inside-of-a-virtual-environment
Benefits of using a virtualenvhttps://docs.lammps.org/Howto_python.html#id8
https://docs.lammps.org/Howto_python.html#benefits-of-using-a-virtualenv
Creating a virtualenv with lammps installedhttps://docs.lammps.org/Howto_python.html#id9
https://docs.lammps.org/Howto_python.html#creating-a-virtualenv-with-lammps-installed
Creating a new lammps instancehttps://docs.lammps.org/Howto_python.html#id10
https://docs.lammps.org/Howto_python.html#creating-a-new-lammps-instance
lammpshttps://docs.lammps.org/Python_module.html#lammps.lammps
LAMMPS Python documentationhttps://docs.lammps.org/Python_create.html
Commandshttps://docs.lammps.org/Howto_python.html#id11
https://docs.lammps.org/Howto_python.html#commands
Accessing atom datahttps://docs.lammps.org/Howto_python.html#id12
https://docs.lammps.org/Howto_python.html#accessing-atom-data
atom stylehttps://docs.lammps.org/atom_style.html
Retrieving the values of thermodynamic data and variableshttps://docs.lammps.org/Howto_python.html#id13
https://docs.lammps.org/Howto_python.html#retrieving-the-values-of-thermodynamic-data-and-variables
get_thermo()https://docs.lammps.org/Python_module.html#lammps.lammps.get_thermo
extract_variable()https://docs.lammps.org/Python_module.html#lammps.lammps.extract_variable
Error handlinghttps://docs.lammps.org/Howto_python.html#id14
https://docs.lammps.org/Howto_python.html#error-handling
Using LAMMPS in IPython notebooks and Jupyterhttps://docs.lammps.org/Howto_python.html#id15
https://docs.lammps.org/Howto_python.html#using-lammps-in-ipython-notebooks-and-jupyter
Interactive Python Exampleshttps://docs.lammps.org/Howto_python.html#id16
https://docs.lammps.org/Howto_python.html#interactive-python-examples
Validating a dihedral potentialhttps://docs.lammps.org/Howto_python.html#id17
https://docs.lammps.org/Howto_python.html#validating-a-dihedral-potential
Running a Monte Carlo relaxationhttps://docs.lammps.org/Howto_python.html#id18
https://docs.lammps.org/Howto_python.html#running-a-monte-carlo-relaxation
Previoushttps://docs.lammps.org/Howto_moltemplate.html
Next https://docs.lammps.org/Howto_wsl.html
Sphinxhttps://www.sphinx-doc.org/
themehttps://github.com/readthedocs/sphinx_rtd_theme
Read the Docshttps://readthedocs.org
develophttps://docs.lammps.org/latest/
stablehttps://docs.lammps.org/stable/
releasehttps://docs.lammps.org/
PDFhttps://docs.lammps.org/Manual.pdf
Sourcehttps://github.com/lammps/lammps/archive/b54f0e7b0fb0003d6cec2e53c3b222211f4915c0.tar.gz
4Jul2026https://github.com/lammps/lammps/tree/b54f0e7b0fb0003d6cec2e53c3b222211f4915c0

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