René's URL Explorer Experiment


Title: 2.4. The lammps Python module — 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
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
2.4. The lammps Python modulehttps://docs.lammps.org/Python_module.html
__version__https://docs.lammps.org/Python_module.html#lammps.__version__
2.4.1. The lammps class APIhttps://docs.lammps.org/Python_module.html#the-lammps-class-api
2.4.2. Additional components of the lammps modulehttps://docs.lammps.org/Python_module.html#additional-components-of-the-lammps-module
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
https://www.lammps.org
Commandshttps://docs.lammps.org/Commands_all.html
Previoushttps://docs.lammps.org/Python_config.html
Next https://docs.lammps.org/Python_ext.html
https://docs.lammps.org/Python_module.html#module-lammps
lammpshttps://docs.lammps.org/Python_module.html#module-lammps
lammpshttps://docs.lammps.org/Python_module.html#module-lammps
lammpshttps://docs.lammps.org/Python_module.html#lammps.lammps
lammps.version()https://docs.lammps.org/Python_module.html#lammps.lammps.version
https://docs.lammps.org/Python_module.html#lammps.__version__
lammps.version()https://docs.lammps.org/Python_module.html#lammps.lammps.version
https://docs.lammps.org/Python_module.html#the-lammps-class-api
lammpshttps://docs.lammps.org/Python_module.html#lammps.lammps
LAMMPS C library APIhttps://docs.lammps.org/Library.html#lammps-c-api
Python ctypes modulehttps://docs.python.org/3/library/ctypes.html
https://docs.lammps.org/Python_module.html#lammps.lammps
python invokehttps://docs.lammps.org/python.html
lammps_open()https://docs.lammps.org/Library_create.html#_CPPv411lammps_openiPPc8MPI_CommPPv
LAMMPShttps://docs.lammps.org/Classes_lammps.html#_CPPv4N9LAMMPS_NS6LAMMPSE
lammps_open()https://docs.lammps.org/Library_create.html#_CPPv411lammps_openiPPc8MPI_CommPPv
mpi4pyhttps://mpi4py.readthedocs.io/
https://docs.lammps.org/Python_module.html#lammps.lammps.numpy
numpy_wrapperhttps://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.numpy_wrapper
https://docs.lammps.org/Python_module.html#lammps.lammps.cmd
lammps.command()https://docs.lammps.org/Python_module.html#lammps.lammps.command
https://docs.lammps.org/Python_module.html#lammps.lammps.ipython
ipython.wrapperhttps://docs.lammps.org/Python_module.html#lammps.ipython.wrapper
https://docs.lammps.org/Python_module.html#lammps.lammps.close
lammps_close()https://docs.lammps.org/Library_create.html#_CPPv412lammps_closePv
https://docs.lammps.org/Python_module.html#lammps.lammps.finalize
lammps_mpi_finalize()https://docs.lammps.org/Library_create.html#_CPPv419lammps_mpi_finalizev
lammps_kokkos_finalize()https://docs.lammps.org/Library_create.html#_CPPv422lammps_kokkos_finalizev
lammps_python_finalize()https://docs.lammps.org/Library_create.html#_CPPv422lammps_python_finalizev
lammps_plugin_finalize()https://docs.lammps.org/Library_create.html#_CPPv422lammps_plugin_finalizev
https://docs.lammps.org/Python_module.html#lammps.lammps.error
lammps_error()https://docs.lammps.org/Library_create.html#_CPPv412lammps_errorPviPKc
https://docs.lammps.org/Python_module.html#lammps.lammps.version
lammps_version()https://docs.lammps.org/Library_config.html#_CPPv414lammps_versionPv
https://docs.lammps.org/Python_module.html#lammps.lammps.get_os_info
lammps_get_os_info()https://docs.lammps.org/Library_config.html#_CPPv418lammps_get_os_infoPci
https://docs.lammps.org/Python_module.html#lammps.lammps.get_mpi_comm
lammps_get_mpi_comm()https://docs.lammps.org/Library_properties.html#_CPPv419lammps_get_mpi_commPv
https://docs.lammps.org/Python_module.html#lammps.lammps.expand
lammps_expand()https://docs.lammps.org/Library_execute.html#_CPPv413lammps_expandPvPKc
https://docs.lammps.org/Python_module.html#lammps.lammps.file
lammps_file()https://docs.lammps.org/Library_execute.html#_CPPv411lammps_filePvPKc
https://docs.lammps.org/Python_module.html#lammps.lammps.command
lammps_command()https://docs.lammps.org/Library_execute.html#_CPPv414lammps_commandPvPKc
https://docs.lammps.org/Python_module.html#lammps.lammps.commands_list
lammps_commands_list()https://docs.lammps.org/Library_execute.html#_CPPv420lammps_commands_listPviPPKc
https://docs.lammps.org/Python_module.html#lammps.lammps.commands_string
lammps_commands_string()https://docs.lammps.org/Library_execute.html#_CPPv422lammps_commands_stringPvPKc
https://docs.lammps.org/Python_module.html#lammps.lammps.get_natoms
lammps_get_natoms()https://docs.lammps.org/Library_properties.html#_CPPv417lammps_get_natomsPv
https://docs.lammps.org/Python_module.html#lammps.lammps.extract_box
lammps_extract_box()https://docs.lammps.org/Library_properties.html#_CPPv418lammps_extract_boxPvPdPdPdPdPdPiPi
https://docs.lammps.org/Python_module.html#lammps.lammps.reset_box
lammps_reset_box()https://docs.lammps.org/Library_properties.html#_CPPv416lammps_reset_boxPvPdPdddd
https://docs.lammps.org/Python_module.html#lammps.lammps.get_thermo
lammps_get_thermo()https://docs.lammps.org/Library_properties.html#_CPPv417lammps_get_thermoPvPKc
https://docs.lammps.org/Python_module.html#lammps.lammps.last_thermo_step
https://docs.lammps.org/Python_module.html#lammps.lammps.last_thermo
lammps_last_thermo()https://docs.lammps.org/Library_properties.html#_CPPv418lammps_last_thermoPvPKci
https://docs.lammps.org/Python_module.html#lammps.lammps.extract_setting
lammps_extract_setting()https://docs.lammps.org/Library_properties.html#_CPPv422lammps_extract_settingPvPKc
https://docs.lammps.org/Python_module.html#lammps.lammps.extract_global_datatype
lammps_extract_global_datatype()https://docs.lammps.org/Library_properties.html#_CPPv430lammps_extract_global_datatypePvPKc
data typehttps://docs.lammps.org/Python_module.html#py-datatype-constants
lammpshttps://docs.lammps.org/Python_module.html#module-lammps
Data Typeshttps://docs.lammps.org/Python_module.html#py-datatype-constants
https://docs.lammps.org/Python_module.html#lammps.lammps.extract_global
lammps_extract_global()https://docs.lammps.org/Library_properties.html#_CPPv421lammps_extract_globalPvPKc
lammps_extract_global()https://docs.lammps.org/Library_properties.html#_CPPv421lammps_extract_globalPvPKc
lammpshttps://docs.lammps.org/Python_module.html#module-lammps
data typehttps://docs.lammps.org/Python_module.html#py-datatype-constants
Data Typeshttps://docs.lammps.org/Python_module.html#py-datatype-constants
https://docs.lammps.org/Python_module.html#lammps.lammps.extract_pair_dimension
lammps_extract_pair_dimension()https://docs.lammps.org/Library_properties.html#_CPPv429lammps_extract_pair_dimensionPvPKc
https://docs.lammps.org/Python_module.html#lammps.lammps.extract_pair
lammps_extract_pair()https://docs.lammps.org/Library_properties.html#_CPPv419lammps_extract_pairPvPKc
https://docs.lammps.org/Python_module.html#lammps.lammps.map_atom
lammps_map_atom()https://docs.lammps.org/Library_properties.html#_CPPv415lammps_map_atomPvPKv
https://docs.lammps.org/Python_module.html#lammps.lammps.extract_atom_datatype
lammps_extract_atom_datatype()https://docs.lammps.org/Library_atoms.html#_CPPv428lammps_extract_atom_datatypePvPKc
data typehttps://docs.lammps.org/Python_module.html#py-datatype-constants
lammpshttps://docs.lammps.org/Python_module.html#module-lammps
Data Typeshttps://docs.lammps.org/Python_module.html#py-datatype-constants
https://docs.lammps.org/Python_module.html#lammps.lammps.extract_atom_size
lammps_extract_atom_size()https://docs.lammps.org/Library_atoms.html#_CPPv424lammps_extract_atom_sizePvPKci
typehttps://docs.lammps.org/Python_module.html#py-type-constants
lammpshttps://docs.lammps.org/Python_module.html#module-lammps
Data Typeshttps://docs.lammps.org/Python_module.html#py-datatype-constants
https://docs.lammps.org/Python_module.html#lammps.lammps.extract_atom
lammps_extract_atom()https://docs.lammps.org/Library_atoms.html#_CPPv419lammps_extract_atomPvPKc
data typehttps://docs.lammps.org/Python_module.html#py-datatype-constants
lammpshttps://docs.lammps.org/Python_module.html#module-lammps
comm_modify vel yeshttps://docs.lammps.org/comm_modify.html
Data Typeshttps://docs.lammps.org/Python_module.html#py-datatype-constants
https://docs.lammps.org/Python_module.html#lammps.lammps.extract_compute
lammps_extract_compute()https://docs.lammps.org/Library_objects.html#_CPPv422lammps_extract_computePvPKcii
cstylehttps://docs.lammps.org/Python_module.html#py-style-constants
ctypehttps://docs.lammps.org/Python_module.html#py-type-constants
Style Constantshttps://docs.lammps.org/Python_module.html#py-style-constants
Type Constantshttps://docs.lammps.org/Python_module.html#py-type-constants
https://docs.lammps.org/Python_module.html#lammps.lammps.extract_fix
lammps_extract_fix()https://docs.lammps.org/Library_objects.html#_CPPv418lammps_extract_fixPvPKciiii
fstylehttps://docs.lammps.org/Python_module.html#py-style-constants
ftypehttps://docs.lammps.org/Python_module.html#py-type-constants
Style Constantshttps://docs.lammps.org/Python_module.html#py-style-constants
Type Constantshttps://docs.lammps.org/Python_module.html#py-type-constants
https://docs.lammps.org/Python_module.html#lammps.lammps.extract_variable
lammps_extract_variable()https://docs.lammps.org/Library_objects.html#_CPPv423lammps_extract_variablePvPKcPKc
lammps_extract_variable_datatype()https://docs.lammps.org/Library_objects.html#_CPPv432lammps_extract_variable_datatypePvPKc
Variable Type Constantshttps://docs.lammps.org/Python_module.html#py-vartype-constants
https://docs.lammps.org/Python_module.html#lammps.lammps.clearstep_compute
https://docs.lammps.org/Python_module.html#lammps.lammps.addstep_compute
https://docs.lammps.org/Python_module.html#lammps.lammps.addstep_compute_all
https://docs.lammps.org/Python_module.html#lammps.lammps.flush_buffers
lammps_flush_buffers()https://docs.lammps.org/Library_utility.html#_CPPv420lammps_flush_buffersPv
https://docs.lammps.org/Python_module.html#lammps.lammps.set_variable
lammps_set_variable()https://docs.lammps.org/Library_objects.html#_CPPv419lammps_set_variablePvPKcPKc
https://docs.lammps.org/Python_module.html#lammps.lammps.set_string_variable
lammps_set_string_variable()https://docs.lammps.org/Library_objects.html#_CPPv426lammps_set_string_variablePvPKcPKc
https://docs.lammps.org/Python_module.html#lammps.lammps.set_internal_variable
lammps_set_internal_variable()https://docs.lammps.org/Library_objects.html#_CPPv428lammps_set_internal_variablePvPKcd
https://docs.lammps.org/Python_module.html#lammps.lammps.eval
lammps_eval()https://docs.lammps.org/Library_objects.html#_CPPv411lammps_evalPvPKc
https://docs.lammps.org/Python_module.html#lammps.lammps.gather_bonds
lammps_gather_bonds()https://docs.lammps.org/Library_scatter.html#_CPPv419lammps_gather_bondsPvPv
https://docs.lammps.org/Python_module.html#lammps.lammps.gather_angles
lammps_gather_angles()https://docs.lammps.org/Library_scatter.html#_CPPv420lammps_gather_anglesPvPv
https://docs.lammps.org/Python_module.html#lammps.lammps.gather_dihedrals
lammps_gather_dihedrals()https://docs.lammps.org/Library_scatter.html#_CPPv423lammps_gather_dihedralsPvPv
https://docs.lammps.org/Python_module.html#lammps.lammps.gather_impropers
lammps_gather_impropers()https://docs.lammps.org/Library_scatter.html#_CPPv423lammps_gather_impropersPvPv
https://docs.lammps.org/Python_module.html#lammps.lammps.encode_image_flags
lammps_encode_image_flags()https://docs.lammps.org/Library_utility.html#_CPPv425lammps_encode_image_flagsiii
https://docs.lammps.org/Python_module.html#lammps.lammps.decode_image_flags
lammps_decode_image_flags()https://docs.lammps.org/Library_utility.html#_CPPv425lammps_decode_image_flagsiPi
https://docs.lammps.org/Python_module.html#lammps.lammps.create_atoms
lammps_create_atoms()https://docs.lammps.org/Library_scatter.html#_CPPv419lammps_create_atomsPviPKiPKiPKdPKdPKii
encode_image_flagshttps://docs.lammps.org/Python_module.html#lammps.lammps.encode_image_flags
https://docs.lammps.org/Python_module.html#lammps.lammps.create_molecule
lammps_create_molecule()https://docs.lammps.org/Library_scatter.html#_CPPv422lammps_create_moleculePvPKcPKc
https://docs.lammps.org/Python_module.html#lammps.lammps.has_mpi_support
lammps_config_has_mpi_support()https://docs.lammps.org/Library_config.html#_CPPv429lammps_config_has_mpi_supportv
https://docs.lammps.org/Python_module.html#lammps.lammps.has_omp_support
lammps_config_has_omp_support()https://docs.lammps.org/Library_config.html#_CPPv429lammps_config_has_omp_supportv
https://docs.lammps.org/Python_module.html#lammps.lammps.is_running
lammps_is_running()https://docs.lammps.org/Library_utility.html#_CPPv417lammps_is_runningPv
https://docs.lammps.org/Python_module.html#lammps.lammps.set_show_error
lammps_set_show_error()https://docs.lammps.org/Library_utility.html#_CPPv421lammps_set_show_errorPvKi
https://docs.lammps.org/Python_module.html#lammps.lammps.force_timeout
lammps_force_timeout()https://docs.lammps.org/Library_utility.html#_CPPv420lammps_force_timeoutPv
https://docs.lammps.org/Python_module.html#lammps.lammps.has_exceptions
lammps_config_has_exceptions()https://docs.lammps.org/Library_config.html#_CPPv428lammps_config_has_exceptionsv
https://docs.lammps.org/Python_module.html#lammps.lammps.has_gzip_support
lammps_config_has_gzip_support()https://docs.lammps.org/Library_config.html#_CPPv430lammps_config_has_gzip_supportv
https://docs.lammps.org/Python_module.html#lammps.lammps.has_png_support
lammps_config_has_png_support()https://docs.lammps.org/Library_config.html#_CPPv429lammps_config_has_png_supportv
https://docs.lammps.org/Python_module.html#lammps.lammps.has_jpeg_support
lammps_config_has_jpeg_support()https://docs.lammps.org/Library_config.html#_CPPv430lammps_config_has_jpeg_supportv
https://docs.lammps.org/Python_module.html#lammps.lammps.has_ffmpeg_support
lammps_config_has_ffmpeg_support()https://docs.lammps.org/Library_config.html#_CPPv432lammps_config_has_ffmpeg_supportv
https://docs.lammps.org/Python_module.html#lammps.lammps.has_curl_support
https://docs.lammps.org/Python_module.html#lammps.lammps.has_package
lammps_config_has_package()https://docs.lammps.org/Library_config.html#_CPPv425lammps_config_has_packagePKc
https://docs.lammps.org/Python_module.html#lammps.lammps.accelerator_config
lammps_config_accelerator()https://docs.lammps.org/Library_config.html#_CPPv425lammps_config_acceleratorPKcPKcPKc
https://docs.lammps.org/Python_module.html#lammps.lammps.has_gpu_device
lammps_has_gpu_device()https://docs.lammps.org/Library_config.html#_CPPv421lammps_has_gpu_devicev
https://docs.lammps.org/Python_module.html#lammps.lammps.get_gpu_device_info
lammps_get_gpu_device_info()https://docs.lammps.org/Library_config.html#_CPPv426lammps_get_gpu_device_infoPci
https://docs.lammps.org/Python_module.html#lammps.lammps.installed_packages
lammps_config_package_count()https://docs.lammps.org/Library_config.html#_CPPv427lammps_config_package_countv
lammps_config_package_name()https://docs.lammps.org/Library_config.html#_CPPv426lammps_config_package_nameiPci
https://docs.lammps.org/Python_module.html#lammps.lammps.has_style
lammps_has_style()https://docs.lammps.org/Library_config.html#_CPPv416lammps_has_stylePvPKcPKc
https://docs.lammps.org/Python_module.html#lammps.lammps.available_styles
lammps_style_count()https://docs.lammps.org/Library_config.html#_CPPv418lammps_style_countPvPKc
lammps_style_name()https://docs.lammps.org/Library_config.html#_CPPv417lammps_style_namePvPKciPci
https://docs.lammps.org/Python_module.html#lammps.lammps.has_id
lammps_has_id()https://docs.lammps.org/Library_config.html#_CPPv413lammps_has_idPvPKcPKc
https://docs.lammps.org/Python_module.html#lammps.lammps.available_ids
lammps_id_count()https://docs.lammps.org/Library_config.html#_CPPv415lammps_id_countPvPKc
lammps_id_name()https://docs.lammps.org/Library_config.html#_CPPv414lammps_id_namePvPKciPci
https://docs.lammps.org/Python_module.html#lammps.lammps.available_plugins
https://docs.lammps.org/Python_module.html#lammps.lammps.set_fix_external_callback
lammps_set_fix_external_callback()https://docs.lammps.org/Library_utility.html#_CPPv432lammps_set_fix_external_callbackPvPKc16FixExternalFnPtrPv
https://docs.lammps.org/Python_module.html#lammps.lammps.fix_external_get_force
lammps_fix_external_get_force()https://docs.lammps.org/Library_utility.html#_CPPv429lammps_fix_external_get_forcePvPKc
https://docs.lammps.org/Python_module.html#lammps.lammps.fix_external_set_energy_global
lammps_fix_external_set_energy_global()https://docs.lammps.org/Library_utility.html#_CPPv437lammps_fix_external_set_energy_globalPvPKcd
https://docs.lammps.org/Python_module.html#lammps.lammps.fix_external_set_virial_global
lammps_fix_external_set_virial_global()https://docs.lammps.org/Library_utility.html#_CPPv437lammps_fix_external_set_virial_globalPvPKcPd
https://docs.lammps.org/Python_module.html#lammps.lammps.fix_external_set_energy_peratom
lammps_fix_external_set_energy_peratom()https://docs.lammps.org/Library_utility.html#_CPPv438lammps_fix_external_set_energy_peratomPvPKcPd
https://docs.lammps.org/Python_module.html#lammps.lammps.fix_external_set_virial_peratom
lammps_fix_external_set_virial_peratom()https://docs.lammps.org/Library_utility.html#_CPPv438lammps_fix_external_set_virial_peratomPvPKcPPd
https://docs.lammps.org/Python_module.html#lammps.lammps.fix_external_set_vector_length
lammps_fix_external_set_vector_length()https://docs.lammps.org/Library_utility.html#_CPPv437lammps_fix_external_set_vector_lengthPvPKci
https://docs.lammps.org/Python_module.html#lammps.lammps.fix_external_set_vector
lammps_fix_external_set_vector()https://docs.lammps.org/Library_utility.html#_CPPv430lammps_fix_external_set_vectorPvPKcid
https://docs.lammps.org/Python_module.html#lammps.lammps.get_neighlist
NeighListhttps://docs.lammps.org/Python_module.html#lammps.NeighList
lammps.numpy.get_neighlist()https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.numpy_wrapper.get_neighlist
NeighListhttps://docs.lammps.org/Python_module.html#lammps.NeighList
NeighListhttps://docs.lammps.org/Python_module.html#lammps.NeighList
https://docs.lammps.org/Python_module.html#lammps.lammps.get_neighlist_size
https://docs.lammps.org/Python_module.html#lammps.lammps.get_neighlist_element_neighbors
https://docs.lammps.org/Python_module.html#lammps.lammps.find_pair_neighlist
https://docs.lammps.org/Python_module.html#lammps.lammps.find_fix_neighlist
https://docs.lammps.org/Python_module.html#lammps.lammps.find_compute_neighlist
https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.numpy_wrapper
lammpshttps://docs.lammps.org/Python_module.html#module-lammps
lammpshttps://docs.lammps.org/Python_module.html#module-lammps
lammpshttps://docs.lammps.org/Python_module.html#lammps.lammps
lammpshttps://docs.lammps.org/Python_module.html#module-lammps
https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.numpy_wrapper.extract_atom
Data Typeshttps://docs.lammps.org/Python_module.html#py-datatype-constants
https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.numpy_wrapper.extract_compute
lammps.extract_compute()https://docs.lammps.org/Python_module.html#lammps.lammps.extract_compute
Style Constantshttps://docs.lammps.org/Python_module.html#py-style-constants
Type Constantshttps://docs.lammps.org/Python_module.html#py-type-constants
https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.numpy_wrapper.extract_fix
lammps.extract_fix()https://docs.lammps.org/Python_module.html#lammps.lammps.extract_fix
Style Constantshttps://docs.lammps.org/Python_module.html#py-style-constants
Type Constantshttps://docs.lammps.org/Python_module.html#py-type-constants
https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.numpy_wrapper.extract_variable
lammps.extract_variable()https://docs.lammps.org/Python_module.html#lammps.lammps.extract_variable
Variable Type Constantshttps://docs.lammps.org/Python_module.html#py-vartype-constants
https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.numpy_wrapper.gather_bonds
lammps.gather_bonds()https://docs.lammps.org/Python_module.html#lammps.lammps.gather_bonds
https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.numpy_wrapper.gather_angles
lammps.gather_angles()https://docs.lammps.org/Python_module.html#lammps.lammps.gather_angles
https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.numpy_wrapper.gather_dihedrals
lammps.gather_dihedrals()https://docs.lammps.org/Python_module.html#lammps.lammps.gather_dihedrals
https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.numpy_wrapper.gather_impropers
lammps.gather_impropers()https://docs.lammps.org/Python_module.html#lammps.lammps.gather_impropers
https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.numpy_wrapper.fix_external_get_force
lammps.fix_external_get_force()https://docs.lammps.org/Python_module.html#lammps.lammps.fix_external_get_force
https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.numpy_wrapper.fix_external_set_energy_peratom
lammps.fix_external_set_energy_peratom()https://docs.lammps.org/Python_module.html#lammps.lammps.fix_external_set_energy_peratom
https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.numpy_wrapper.fix_external_set_virial_peratom
lammps.fix_external_set_virial_peratom()https://docs.lammps.org/Python_module.html#lammps.lammps.fix_external_set_virial_peratom
https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.numpy_wrapper.get_neighlist
NumPyNeighListhttps://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.NumPyNeighList
NumPyNeighListhttps://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.NumPyNeighList
NumPyNeighListhttps://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.NumPyNeighList
https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.numpy_wrapper.get_neighlist_element_neighbors
lammps.get_neighlist_element_neighbors()https://docs.lammps.org/Python_module.html#lammps.lammps.get_neighlist_element_neighbors
https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.numpy_wrapper.iarray
https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.numpy_wrapper.darray
https://docs.lammps.org/Python_module.html#lammps.ipython.wrapper
lammpshttps://docs.lammps.org/Python_module.html#module-lammps
lammpshttps://docs.lammps.org/Python_module.html#module-lammps
lammpshttps://docs.lammps.org/Python_module.html#lammps.lammps
lammpshttps://docs.lammps.org/Python_module.html#module-lammps
https://docs.lammps.org/Python_module.html#lammps.ipython.wrapper.image
dump imagehttps://docs.lammps.org/dump_image.html
https://docs.lammps.org/Python_module.html#lammps.ipython.wrapper.video
dump moviehttps://docs.lammps.org/dump_image.html
https://docs.lammps.org/Python_module.html#additional-components-of-the-lammps-module
lammpshttps://docs.lammps.org/Python_module.html#module-lammps
NeighListhttps://docs.lammps.org/Python_module.html#lammps.NeighList
https://docs.lammps.org/Python_module.html#data-types
lammpshttps://docs.lammps.org/Python_module.html#module-lammps
lammps.extract_global()https://docs.lammps.org/Python_module.html#lammps.lammps.extract_global
lammps.extract_atom()https://docs.lammps.org/Python_module.html#lammps.lammps.extract_atom
https://docs.lammps.org/Python_module.html#style-constants
lammpshttps://docs.lammps.org/Python_module.html#module-lammps
_LMP_STYLE_CONSThttps://docs.lammps.org/Library_objects.html#_CPPv416_LMP_STYLE_CONST
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.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
https://docs.lammps.org/Python_module.html#type-constants
lammpshttps://docs.lammps.org/Python_module.html#module-lammps
_LMP_TYPE_CONSThttps://docs.lammps.org/Library_objects.html#_CPPv415_LMP_TYPE_CONST
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.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
https://docs.lammps.org/Python_module.html#variable-type-constants
lammpshttps://docs.lammps.org/Python_module.html#module-lammps
lammps.extract_variable()https://docs.lammps.org/Python_module.html#lammps.lammps.extract_variable
variable commandhttps://docs.lammps.org/variable.html
https://docs.lammps.org/Python_module.html#classes-representing-internal-objects
https://docs.lammps.org/Python_module.html#lammps.NeighList
lammpshttps://docs.lammps.org/Python_module.html#lammps.lammps
lammpshttps://docs.lammps.org/Python_module.html#module-lammps
https://docs.lammps.org/Python_module.html#lammps.NeighList.size
https://docs.lammps.org/Python_module.html#lammps.NeighList.get
https://docs.lammps.org/Python_module.html#lammps.NeighList.find
https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.NumPyNeighList
lammpshttps://docs.lammps.org/Python_module.html#lammps.lammps
lammpshttps://docs.lammps.org/Python_module.html#module-lammps
https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.NumPyNeighList.get
https://docs.lammps.org/Python_module.html#lammps.numpy_wrapper.NumPyNeighList.find
Previoushttps://docs.lammps.org/Python_config.html
Next https://docs.lammps.org/Python_ext.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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