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Title: 4.9. Notes for developers and code maintainers — 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
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
4.9. Notes for developers and code maintainershttps://docs.lammps.org/Developer_notes.html
4.9.1. Reading and parsing of text and text fileshttps://docs.lammps.org/Developer_notes.html#reading-and-parsing-of-text-and-text-files
4.9.2. Requesting and accessing neighbor listshttps://docs.lammps.org/Developer_notes.html#requesting-and-accessing-neighbor-lists
4.9.3. Errors, warnings, and informational messageshttps://docs.lammps.org/Developer_notes.html#errors-warnings-and-informational-messages
4.9.4. Choosing between a custom atom style, fix property/atom, and fix STORE/ATOMhttps://docs.lammps.org/Developer_notes.html#choosing-between-a-custom-atom-style-fix-property-atom-and-fix-store-atom
4.9.5. Fix contributions to instantaneous energy, virial, and cumulative energyhttps://docs.lammps.org/Developer_notes.html#fix-contributions-to-instantaneous-energy-virial-and-cumulative-energy
4.9.6. KSpace PPPM FFT gridshttps://docs.lammps.org/Developer_notes.html#kspace-pppm-fft-grids
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
https://www.lammps.org
Commandshttps://docs.lammps.org/Commands_all.html
Previoushttps://docs.lammps.org/Developer_write_docs.html
Next https://docs.lammps.org/Developer_updating.html
https://docs.lammps.org/Developer_notes.html#notes-for-developers-and-code-maintainers
Reading and parsing of text and text fileshttps://docs.lammps.org/Developer_notes.html#reading-and-parsing-of-text-and-text-files
Requesting and accessing neighbor listshttps://docs.lammps.org/Developer_notes.html#requesting-and-accessing-neighbor-lists
Errors, warnings, and informational messageshttps://docs.lammps.org/Developer_notes.html#errors-warnings-and-informational-messages
Choosing between a custom atom style, fix property/atom, and fix STORE/ATOMhttps://docs.lammps.org/Developer_notes.html#choosing-between-a-custom-atom-style-fix-property-atom-and-fix-store-atom
Fix contributions to instantaneous energy, virial, and cumulative energyhttps://docs.lammps.org/Developer_notes.html#fix-contributions-to-instantaneous-energy-virial-and-cumulative-energy
KSpace PPPM FFT gridshttps://docs.lammps.org/Developer_notes.html#kspace-pppm-fft-grids
4.9.1. Reading and parsing of text and text fileshttps://docs.lammps.org/Developer_notes.html#id3
https://docs.lammps.org/Developer_notes.html#reading-and-parsing-of-text-and-text-files
TextFileReaderhttps://docs.lammps.org/Developer_utils.html#_CPPv4N9LAMMPS_NS14TextFileReaderE
PotentialFileReaderhttps://docs.lammps.org/Developer_utils.html#_CPPv4N9LAMMPS_NS19PotentialFileReaderE
File reader classeshttps://docs.lammps.org/Developer_utils.html#file-reader-classes
utils::read_lines_from_file()https://docs.lammps.org/Developer_utils.html#_CPPv4N9LAMMPS_NS5utils20read_lines_from_fileEP4FILEiiPci8MPI_Comm
Tokenizerhttps://docs.lammps.org/Developer_utils.html#_CPPv4N9LAMMPS_NS9TokenizerE
ValueTokenizerhttps://docs.lammps.org/Developer_utils.html#_CPPv4N9LAMMPS_NS14ValueTokenizerE
InvalidIntegerExceptionhttps://docs.lammps.org/Developer_utils.html#_CPPv4N9LAMMPS_NS23InvalidIntegerExceptionE
ValueTokenizer::next_int()https://docs.lammps.org/Developer_utils.html#_CPPv4N9LAMMPS_NS14ValueTokenizer8next_intEv
4.9.2. Requesting and accessing neighbor listshttps://docs.lammps.org/Developer_notes.html#id4
https://docs.lammps.org/Developer_notes.html#requesting-and-accessing-neighbor-lists
neighbor commandhttps://docs.lammps.org/neighbor.html
processed in parallelhttps://docs.lammps.org/Developer_par_neigh.html
newton command settinghttps://docs.lammps.org/newton.html
tersoffhttps://docs.lammps.org/pair_tersoff.html
pair style meamhttps://docs.lammps.org/pair_meam.html
Peridynamics pair styleshttps://docs.lammps.org/pair_peri.html
compute rdfhttps://docs.lammps.org/compute_rdf.html
delete atomshttps://docs.lammps.org/delete_atoms.html
4.9.3. Errors, warnings, and informational messageshttps://docs.lammps.org/Developer_notes.html#id5
https://docs.lammps.org/Developer_notes.html#errors-warnings-and-informational-messages
LAMMPS-GUIhttps://docs.lammps.org/Tools.html#lammps-gui
LAMMPS Python modulehttps://docs.lammps.org/Python_module.html
runhttps://docs.lammps.org/run.html
minimizationhttps://docs.lammps.org/minimize.html
{fmt} libraryhttps://fmt.dev
C++ format libraryhttps://cppreference.com/w/cpp/utility/format.html
fix ave/timehttps://docs.lammps.org/fix_ave_time.html
utils::expand_args()https://docs.lammps.org/Developer_utils.html#_CPPv4N9LAMMPS_NS5utils11expand_argsEPKciiPPciRPPcP6LAMMPSPPi
utils::errorurl()https://docs.lammps.org/Developer_utils.html#_CPPv4N9LAMMPS_NS5utils8errorurlEi
Errors and warnings detailshttps://docs.lammps.org/Errors_details.html
Errors and warnings detailshttps://docs.lammps.org/Errors_details.html
{fmt} libraryhttps://fmt.dev
thermo_modify commandhttps://docs.lammps.org/thermo_modify.html
screenhttps://docs.lammps.org/Run_options.html#screen
logfilehttps://docs.lammps.org/log.html
utils::logmesg() convenience functionhttps://docs.lammps.org/Developer_utils.html#_CPPv4IDpEN9LAMMPS_NS5utils7logmesgEvP6LAMMPSRKNSt6stringEDpRR4Args
{fmt} libraryhttps://fmt.dev
4.9.4. Choosing between a custom atom style, fix property/atom, and fix STORE/ATOMhttps://docs.lammps.org/Developer_notes.html#id6
https://docs.lammps.org/Developer_notes.html#choosing-between-a-custom-atom-style-fix-property-atom-and-fix-store-atom
fix property/atomhttps://docs.lammps.org/fix_property_atom.html
data filehttps://docs.lammps.org/read_data.html
4.9.5. Fix contributions to instantaneous energy, virial, and cumulative energyhttps://docs.lammps.org/Developer_notes.html#id7
https://docs.lammps.org/Developer_notes.html#fix-contributions-to-instantaneous-energy-virial-and-cumulative-energy
fix langevinhttps://docs.lammps.org/fix_langevin.html
fix npthttps://docs.lammps.org/fix_nh.html
thermo_style customhttps://docs.lammps.org/thermo_style.html
fix indenthttps://docs.lammps.org/fix_indent.html
fix cmaphttps://docs.lammps.org/fix_cmap.html
fix wallhttps://docs.lammps.org/fix_wall.html
fix wallhttps://docs.lammps.org/fix_wall.html
fix cmaphttps://docs.lammps.org/fix_cmap.html
fix modifyhttps://docs.lammps.org/fix_modify.html
fix modifyhttps://docs.lammps.org/fix_modify.html
compute pehttps://docs.lammps.org/compute_pe.html
compute pe/atomhttps://docs.lammps.org/compute_pe_atom.html
compute pressurehttps://docs.lammps.org/compute_pressure.html
compute stress/atomhttps://docs.lammps.org/compute_stress_atom.html
compute pe/atomhttps://docs.lammps.org/compute_pe_atom.html
compute pehttps://docs.lammps.org/compute_pe.html
compute pressurehttps://docs.lammps.org/compute_pressure.html
thermodynamic outputhttps://docs.lammps.org/thermo_style.html
4.9.6. KSpace PPPM FFT gridshttps://docs.lammps.org/Developer_notes.html#id8
https://docs.lammps.org/Developer_notes.html#kspace-pppm-fft-grids
KSpace PPPMhttps://docs.lammps.org/kspace_style.html
balance rcbhttps://docs.lammps.org/balance.html
Previoushttps://docs.lammps.org/Developer_write_docs.html
Next https://docs.lammps.org/Developer_updating.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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