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Title: 4.8.12. Writing a new fix style — LAMMPS documentation

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Domain: docs.lammps.org

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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
3. Modifying & extending LAMMPShttps://docs.lammps.org/Modify.html
4. Information for Developershttps://docs.lammps.org/Developer.html
4.1. Source fileshttps://docs.lammps.org/Developer_org.html
4.2. Class topologyhttps://docs.lammps.org/Developer_org.html#class-topology
4.3. Code designhttps://docs.lammps.org/Developer_code_design.html
4.4. Parallel algorithmshttps://docs.lammps.org/Developer_parallel.html
4.5. Accessing per-atom datahttps://docs.lammps.org/Developer_atom.html
4.6. Communication patternshttps://docs.lammps.org/Developer_comm_ops.html
4.7. How a timestep workshttps://docs.lammps.org/Developer_flow.html
4.8. Writing new styleshttps://docs.lammps.org/Developer_write.html
4.8.1. Writing new pair styleshttps://docs.lammps.org/Developer_write_pair.html
4.8.2. Package and build system considerationshttps://docs.lammps.org/Developer_write_pair.html#package-and-build-system-considerations
4.8.3. Case 1: a pairwise additive modelhttps://docs.lammps.org/Developer_write_pair.html#case-1-a-pairwise-additive-model
4.8.4. Case 2: a many-body potentialhttps://docs.lammps.org/Developer_write_pair.html#case-2-a-many-body-potential
4.8.5. Case 3: a potential requiring communicationhttps://docs.lammps.org/Developer_write_pair.html#case-3-a-potential-requiring-communication
4.8.6. Case 4: potentials without a compute() functionhttps://docs.lammps.org/Developer_write_pair.html#case-4-potentials-without-a-compute-function
4.8.7. Writing new bond, angle, dihedral, and improper styleshttps://docs.lammps.org/Developer_write_bond.html
4.8.8. Case 1: Implementing a bond stylehttps://docs.lammps.org/Developer_write_bond.html#case-1-implementing-a-bond-style
4.8.9. Case 2: Implementing an angle stylehttps://docs.lammps.org/Developer_write_bond.html#case-2-implementing-an-angle-style
4.8.10. Case 3: Implementing a dihedral stylehttps://docs.lammps.org/Developer_write_bond.html#case-3-implementing-a-dihedral-style
4.8.11. Case 4: Implementing an improper stylehttps://docs.lammps.org/Developer_write_bond.html#case-4-implementing-an-improper-style
4.8.12. Writing a new fix stylehttps://docs.lammps.org/Developer_write_fix.html
4.8.13. Writing new compute styleshttps://docs.lammps.org/Developer_write_compute.html
4.8.14. Case 1: A global scalar computehttps://docs.lammps.org/Developer_write_compute.html#case-1-a-global-scalar-compute
4.8.15. Case 2: A per-atom computehttps://docs.lammps.org/Developer_write_compute.html#case-2-a-per-atom-compute
4.8.16. Notes on flags and output typeshttps://docs.lammps.org/Developer_write_compute.html#notes-on-flags-and-output-types
4.8.17. Writing a new command stylehttps://docs.lammps.org/Developer_write_command.html
4.8.18. Case 1: Implementing the geturl commandhttps://docs.lammps.org/Developer_write_command.html#case-1-implementing-the-geturl-command
4.8.19. Creating styles for the OPENMP packagehttps://docs.lammps.org/Developer_write_openmp.html
4.8.20. Writing or updating documentationhttps://docs.lammps.org/Developer_write_docs.html
4.8.21. Anatomy of a style documentation pagehttps://docs.lammps.org/Developer_write_docs.html#anatomy-of-a-style-documentation-page
4.8.22. Integrating a new style into the command listshttps://docs.lammps.org/Developer_write_docs.html#integrating-a-new-style-into-the-command-lists
4.8.23. Documenting an accelerated variant of an existing stylehttps://docs.lammps.org/Developer_write_docs.html#documenting-an-accelerated-variant-of-an-existing-style
4.8.24. Adding and referencing example inputshttps://docs.lammps.org/Developer_write_docs.html#adding-and-referencing-example-inputs
4.8.25. Other documentation that may need updatinghttps://docs.lammps.org/Developer_write_docs.html#other-documentation-that-may-need-updating
4.8.26. Building and checking the documentationhttps://docs.lammps.org/Developer_write_docs.html#building-and-checking-the-documentation
4.9. Notes for developers and code maintainershttps://docs.lammps.org/Developer_notes.html
4.10. Notes for updating code written for older LAMMPS versionshttps://docs.lammps.org/Developer_updating.html
4.11. Writing pluginshttps://docs.lammps.org/Developer_plugins.html
4.12. Adding tests for unit testinghttps://docs.lammps.org/Developer_unittest.html
4.13. C++ base classeshttps://docs.lammps.org/Classes.html
4.14. Platform abstraction functionshttps://docs.lammps.org/Developer_platform.html
4.15. Utility functionshttps://docs.lammps.org/Developer_utils.html
4.16. Special Math functionshttps://docs.lammps.org/Developer_utils.html#special-math-functions
4.17. Tokenizer classeshttps://docs.lammps.org/Developer_utils.html#tokenizer-classes
4.18. Argument parsing classeshttps://docs.lammps.org/Developer_utils.html#argument-parsing-classes
4.19. Safe pointer classeshttps://docs.lammps.org/Developer_utils.html#safe-pointer-classes
4.20. File reader classeshttps://docs.lammps.org/Developer_utils.html#file-reader-classes
4.21. Type label supporthttps://docs.lammps.org/Developer_utils.html#type-label-support
4.22. Memory pool classeshttps://docs.lammps.org/Developer_utils.html#memory-pool-classes
4.23. Eigensolver functionshttps://docs.lammps.org/Developer_utils.html#eigensolver-functions
4.24. Communication buffer coding with ubufhttps://docs.lammps.org/Developer_utils.html#communication-buffer-coding-with-ubuf
4.25. Internal Styleshttps://docs.lammps.org/Developer_internal.html
4.26. Use of distributed grids within style classeshttps://docs.lammps.org/Developer_grid.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
4. Information for Developershttps://docs.lammps.org/Developer.html
4.8. Writing new styleshttps://docs.lammps.org/Developer_write.html
https://www.lammps.org
Commandshttps://docs.lammps.org/Commands_all.html
Previoushttps://docs.lammps.org/Developer_write_bond.html
Next https://docs.lammps.org/Developer_write_compute.html
https://docs.lammps.org/Developer_write_fix.html#writing-a-new-fix-style
execution of a timestephttps://docs.lammps.org/Developer_flow.html
Previoushttps://docs.lammps.org/Developer_write_bond.html
Next https://docs.lammps.org/Developer_write_compute.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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