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Title: 2.3.8. Compute, fixes, variables — LAMMPS documentation

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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
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
2.1. Overviewhttps://docs.lammps.org/Python_overview.html
2.2. Installationhttps://docs.lammps.org/Python_install.html
2.3. Run LAMMPS from Pythonhttps://docs.lammps.org/Python_run.html
2.3.1. Running LAMMPS and Python in serialhttps://docs.lammps.org/Python_launch.html
2.3.2. Running LAMMPS and Python in parallel with MPIhttps://docs.lammps.org/Python_launch.html#running-lammps-and-python-in-parallel-with-mpi
2.3.3. Running Python scriptshttps://docs.lammps.org/Python_launch.html#running-python-scripts
2.3.4. Creating or deleting a LAMMPS objecthttps://docs.lammps.org/Python_create.html
2.3.5. Executing commandshttps://docs.lammps.org/Python_execute.html
2.3.6. System propertieshttps://docs.lammps.org/Python_properties.html
2.3.7. Per-atom propertieshttps://docs.lammps.org/Python_atoms.html
2.3.8. Compute, fixes, variableshttps://docs.lammps.org/Python_objects.html
2.3.9. Scatter/gather operationshttps://docs.lammps.org/Python_scatter.html
2.3.10. Neighbor list accesshttps://docs.lammps.org/Python_neighbor.html
2.3.11. Configuration informationhttps://docs.lammps.org/Python_config.html
2.4. The lammps Python modulehttps://docs.lammps.org/Python_module.html
2.5. Extending the Python interfacehttps://docs.lammps.org/Python_ext.html
2.6. Calling Python from LAMMPShttps://docs.lammps.org/Python_call.html
2.7. Output Readershttps://docs.lammps.org/Python_formats.html
2.8. Example Python scriptshttps://docs.lammps.org/Python_examples.html
2.9. Using LAMMPS in IPython notebooks and Jupyterhttps://docs.lammps.org/Python_jupyter.html
2.10. Handling LAMMPS errorshttps://docs.lammps.org/Python_error.html
2.11. Troubleshootinghttps://docs.lammps.org/Python_trouble.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
2. Use Python with LAMMPShttps://docs.lammps.org/Python_head.html
2.3. Run LAMMPS from Pythonhttps://docs.lammps.org/Python_run.html
https://www.lammps.org
Commandshttps://docs.lammps.org/Commands_all.html
Previoushttps://docs.lammps.org/Python_atoms.html
Next https://docs.lammps.org/Python_scatter.html
https://docs.lammps.org/Python_objects.html#compute-fixes-variables
lammpshttps://docs.lammps.org/Python_module.html#module-lammps
lammps.extract_compute()https://docs.lammps.org/Python_module.html#lammps.lammps.extract_compute
lammps.extract_fix()https://docs.lammps.org/Python_module.html#lammps.lammps.extract_fix
Howto outputhttps://docs.lammps.org/Howto_output.html
computeshttps://docs.lammps.org/compute.html
fixeshttps://docs.lammps.org/fix.html
lammps.extract_variable()https://docs.lammps.org/Python_module.html#lammps.lammps.extract_variable
equal-style or atom-style variablehttps://docs.lammps.org/variable.html
lammps.numpy.extract_compute()https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.numpy_wrapper.extract_compute
lammps.numpy.extract_fix()https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.numpy_wrapper.extract_fix
lammps.numpy.extract_variable()https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.numpy_wrapper.extract_variable
lammps.set_variable()https://docs.lammps.org/Python_module.html#lammps.lammps.set_variable
lammps.extract_compute()https://docs.lammps.org/Python_module.html#lammps.lammps.extract_compute
lammps.extract_fix()https://docs.lammps.org/Python_module.html#lammps.lammps.extract_fix
lammps.extract_variable()https://docs.lammps.org/Python_module.html#lammps.lammps.extract_variable
lammps.set_variable()https://docs.lammps.org/Python_module.html#lammps.lammps.set_variable
lammps.numpy.extract_compute()https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.numpy_wrapper.extract_compute
lammps.numpy.extract_fix()https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.numpy_wrapper.extract_fix
lammps.numpy.extract_variable()https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.numpy_wrapper.extract_variable
Previoushttps://docs.lammps.org/Python_atoms.html
Next https://docs.lammps.org/Python_scatter.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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