Index

_

__version__ (in module lammps) _LMP_STYLE_CONST (C++ enum)

_LMP_TYPE_CONST (C++ enum) _LMP_VAR_CONST (C++ enum)

A

accelerator_config (lammps.lammps property) angle_coeff angle_style angle_style amoeba angle_style charmm angle_style charmm/intel angle_style charmm/kk angle_style charmm/omp angle_style class2 angle_style class2/kk angle_style class2/omp angle_style class2/p6 angle_style cosine angle_style cosine/buck6d angle_style cosine/delta angle_style cosine/delta/omp angle_style cosine/kk angle_style cosine/omp angle_style cosine/periodic angle_style cosine/periodic/omp angle_style cosine/shift angle_style cosine/shift/exp angle_style cosine/shift/exp/omp angle_style cosine/shift/omp angle_style cosine/squared angle_style cosine/squared/omp angle_style cosine/squared/restricted angle_style cosine/squared/restricted/omp angle_style cross angle_style dipole angle_style dipole/omp angle_style fourier angle_style fourier/omp angle_style fourier/simple angle_style fourier/simple/omp angle_style gaussian angle_style harmonic angle_style harmonic/intel angle_style harmonic/kk angle_style harmonic/omp angle_style hybrid angle_style hybrid/kk angle_style lepton angle_style lepton/omp angle_style mesocnt angle_style mm3 angle_style none angle_style quartic angle_style quartic/omp angle_style spica angle_style spica/kk angle_style spica/omp angle_style table angle_style table/omp

angle_style zero angle_write angular_momentum (lammps.Atom property) append_cmd_history() (lammps.PyLammps method) ArgInfo (C++ class) ArgInfo::ArgInfo (C++ function) ArgInfo::ArgTypes (C++ enum) ArgInfo::ArgTypes::BIN1D (C++ enumerator) ArgInfo::ArgTypes::BIN2D (C++ enumerator) ArgInfo::ArgTypes::BIN3D (C++ enumerator) ArgInfo::ArgTypes::BINCYLINDER (C++ enumerator) ArgInfo::ArgTypes::BINSPHERE (C++ enumerator) ArgInfo::ArgTypes::COMPUTE (C++ enumerator) ArgInfo::ArgTypes::DENSITY_MASS (C++ enumerator) ArgInfo::ArgTypes::DENSITY_NUMBER (C++ enumerator) ArgInfo::ArgTypes::DNAME (C++ enumerator) ArgInfo::ArgTypes::ERROR (C++ enumerator) ArgInfo::ArgTypes::F (C++ enumerator) ArgInfo::ArgTypes::FIX (C++ enumerator) ArgInfo::ArgTypes::INAME (C++ enumerator) ArgInfo::ArgTypes::KEYWORD (C++ enumerator) ArgInfo::ArgTypes::MASS (C++ enumerator) ArgInfo::ArgTypes::MOLECULE (C++ enumerator) ArgInfo::ArgTypes::NONE (C++ enumerator) ArgInfo::ArgTypes::TEMPERATURE (C++ enumerator) ArgInfo::ArgTypes::TYPE (C++ enumerator) ArgInfo::ArgTypes::UNKNOWN (C++ enumerator) ArgInfo::ArgTypes::V (C++ enumerator) ArgInfo::ArgTypes::VARIABLE (C++ enumerator) ArgInfo::ArgTypes::X (C++ enumerator) ArgInfo::copy_name (C++ function) ArgInfo::get_dim (C++ function) ArgInfo::get_index1 (C++ function) ArgInfo::get_index2 (C++ function) ArgInfo::get_name (C++ function) ArgInfo::get_type (C++ function) Atom (C++ class) (class in lammps) Atom2D (class in lammps) Atom::add_custom (C++ function) Atom::Atom (C++ function) Atom::extract (C++ function) Atom::extract_datatype (C++ function) Atom::extract_size (C++ function) Atom::find_custom (C++ function) Atom::find_custom_ghost (C++ function) Atom::PerAtom (C++ struct) Atom::remove_custom (C++ function) atom_modify atom_style AtomList (class in lammps) atoms (lammps.PyLammps property) available_ids() (lammps.lammps method) available_plugins() (lammps.lammps method) available_styles() (lammps.lammps method)

B

balance bond_coeff bond_style bond_style bpm/rotational bond_style bpm/spring bond_style class2 bond_style class2/kk bond_style class2/omp bond_style fene bond_style fene/expand bond_style fene/expand/omp bond_style fene/intel bond_style fene/kk bond_style fene/nm bond_style fene/omp bond_style gaussian bond_style gromos bond_style gromos/omp bond_style harmonic bond_style harmonic/intel bond_style harmonic/kk bond_style harmonic/omp bond_style harmonic/restrain bond_style harmonic/shift bond_style harmonic/shift/cut

bond_style harmonic/shift/cut/omp bond_style harmonic/shift/omp bond_style hybrid bond_style hybrid/kk bond_style lepton bond_style lepton/omp bond_style mesocnt bond_style mm3 bond_style morse bond_style morse/omp bond_style none bond_style nonlinear bond_style nonlinear/omp bond_style oxdna/fene bond_style oxdna2/fene bond_style oxrna2/fene bond_style quartic bond_style quartic/omp bond_style rheo/shell bond_style special bond_style table bond_style table/omp bond_style zero bond_write boundary

C

change_box charge (lammps.Atom property) clear clear_cmd_history() (lammps.PyLammps method) close() (fortran subroutine) (lammps.lammps method) (lammps.PyLammps method) comm_modify comm_style command() (fortran subroutine) (lammps.lammps method) (lammps.PyLammps method) commands_list() (fortran subroutine) (lammps.lammps method) commands_string() (fortran subroutine) (lammps.lammps method) communication (lammps.PyLammps property) compute compute ackland/atom compute adf compute aggregate/atom compute angle compute angle/local compute angmom/chunk compute ave/sphere/atom compute ave/sphere/atom/kk compute basal/atom compute body/local compute bond compute bond/local compute born/matrix compute centro/atom compute centroid/stress/atom compute chunk/atom compute chunk/spread/atom compute cluster/atom compute cna/atom compute cnp/atom compute com compute com/chunk compute composition/atom compute composition/atom/kk compute contact/atom compute coord/atom compute coord/atom/kk compute count/type compute damage/atom compute dihedral compute dihedral/local compute dilatation/atom compute dipole compute dipole/chunk compute dipole/tip4p compute dipole/tip4p/chunk compute displace/atom compute dpd compute dpd/atom compute edpd/temp/atom compute efield/atom compute efield/wolf/atom compute entropy/atom compute erotate/asphere compute erotate/rigid compute erotate/sphere compute erotate/sphere/atom compute erotate/sphere/kk compute event/displace compute fabric compute fep compute fep/ta compute force/tally compute fragment/atom compute global/atom compute group/group compute gyration compute gyration/chunk compute gyration/shape compute gyration/shape/chunk compute heat/flux compute heat/flux/tally compute heat/flux/virial/tally compute hexorder/atom compute hma compute improper compute improper/local compute inertia/chunk compute ke compute ke/atom compute ke/atom/eff compute ke/eff compute ke/rigid compute mliap compute momentum compute msd compute msd/chunk compute msd/nongauss compute nbond/atom compute omega/chunk compute orientorder/atom compute orientorder/atom/kk compute pace compute pair compute pair/local compute pe compute pe/atom compute pe/mol/tally compute pe/tally

compute plasticity/atom compute pod/atom compute pod/global compute pod/local compute podd/atom compute pressure compute pressure/alchemy compute pressure/uef compute property/atom compute property/chunk compute property/grid compute property/local compute ptm/atom compute rattlers/atom compute rdf compute reaxff/atom compute reaxff/atom/kk compute reduce compute reduce/chunk compute reduce/region compute rheo/property/atom compute rigid/local compute saed compute slcsa/atom compute slice compute smd/contact/radius compute smd/damage compute smd/hourglass/error compute smd/internal/energy compute smd/plastic/strain compute smd/plastic/strain/rate compute smd/rho compute smd/tlsph/defgrad compute smd/tlsph/dt compute smd/tlsph/num/neighs compute smd/tlsph/shape compute smd/tlsph/strain compute smd/tlsph/strain/rate compute smd/tlsph/stress compute smd/triangle/vertices compute smd/ulsph/effm compute smd/ulsph/num/neighs compute smd/ulsph/strain compute smd/ulsph/strain/rate compute smd/ulsph/stress compute smd/vol compute sna/atom compute sna/grid compute sna/grid/local compute snad/atom compute snap compute snav/atom compute sph/e/atom compute sph/rho/atom compute sph/t/atom compute spin compute stress/atom compute stress/cartesian compute stress/cylinder compute stress/mop compute stress/mop/profile compute stress/spherical compute stress/tally compute tdpd/cc/atom compute temp compute temp/asphere compute temp/body compute temp/chunk compute temp/com compute temp/cs compute temp/deform compute temp/deform/eff compute temp/deform/kk compute temp/drude compute temp/eff compute temp/kk compute temp/partial compute temp/profile compute temp/ramp compute temp/region compute temp/region/eff compute temp/rotate compute temp/sphere compute temp/uef compute ti compute torque/chunk compute vacf compute vcm/chunk compute viscosity/cos compute voronoi/atom compute xrd compute_modify computes (lammps.PyLammps property) config_accelerator() (fortran function) config_has_exceptions() (fortran function) config_has_ffmpeg_support() (fortran function) config_has_gzip_support() (fortran function) config_has_jpeg_support() (fortran function) config_has_mpi_support() (fortran function) config_has_package() (fortran function) config_has_png_support() (fortran function) config_package_count() (fortran function) config_package_name() (fortran subroutine) create_atoms create_atoms() (fortran subroutine) (lammps.lammps method) create_bonds create_box

D

decode_image_flags() (fortran subroutine) (lammps.lammps method) delete_atoms delete_bonds dielectric dihedral_coeff dihedral_style dihedral_style charmm dihedral_style charmm/intel dihedral_style charmm/kk dihedral_style charmm/omp dihedral_style charmmfsw dihedral_style charmmfsw/kk dihedral_style class2 dihedral_style class2/kk dihedral_style class2/omp dihedral_style cosine/shift/exp dihedral_style cosine/shift/exp/omp dihedral_style cosine/squared/restricted dihedral_style fourier dihedral_style fourier/intel dihedral_style fourier/omp dihedral_style harmonic dihedral_style harmonic/intel dihedral_style harmonic/kk dihedral_style harmonic/omp dihedral_style helix dihedral_style helix/omp dihedral_style hybrid dihedral_style hybrid/kk dihedral_style lepton dihedral_style lepton/omp dihedral_style multi/harmonic dihedral_style multi/harmonic/omp dihedral_style nharmonic dihedral_style nharmonic/omp dihedral_style none dihedral_style opls dihedral_style opls/intel dihedral_style opls/kk dihedral_style opls/omp dihedral_style quadratic dihedral_style quadratic/omp

dihedral_style spherical dihedral_style table dihedral_style table/cut dihedral_style table/omp dihedral_style zero dihedral_write dimension displace_atoms dump dump atom dump atom/adios dump atom/gz dump atom/zstd dump cfg dump cfg/gz dump cfg/uef dump cfg/zstd dump custom dump custom/adios dump custom/gz dump custom/zstd dump dcd dump grid dump grid/vtk dump h5md dump image dump local dump local/gz dump local/zstd dump molfile dump movie dump netcdf dump netcdf/mpiio dump vtk dump xtc dump xyz dump xyz/gz dump xyz/zstd dump yaml dump_modify dumps (lammps.PyLammps property) dynamical_matrix dynamical_matrix/kk

E

echo enable_cmd_history (lammps.PyLammps property) encode_image_flags() (fortran function) (lammps.lammps method) error() (fortran subroutine) (lammps.lammps method) eval() (lammps.PyLammps method) expand() (lammps.lammps method) extract_atom() (fortran function) (lammps.lammps method) (lammps.numpy_wrapper.numpy_wrapper method) extract_atom_datatype() (lammps.lammps method) extract_atom_size() (lammps.lammps method) extract_box() (fortran subroutine) (lammps.lammps method)

extract_compute() (fortran function) (lammps.lammps method) (lammps.numpy_wrapper.numpy_wrapper method) extract_fix() (fortran function) (lammps.lammps method) (lammps.numpy_wrapper.numpy_wrapper method) extract_global() (fortran function) (lammps.lammps method) extract_global_datatype() (lammps.lammps method) extract_pair() (lammps.lammps method) extract_pair_dimension() (lammps.lammps method) extract_setting() (fortran function) (lammps.lammps method) extract_variable() (fortran function) (lammps.lammps method) (lammps.numpy_wrapper.numpy_wrapper method)

F

file() (fortran subroutine) (lammps.lammps method) (lammps.PyLammps method) finalize() (lammps.lammps method) find() (lammps.NeighList method) (lammps.numpy_wrapper.NumPyNeighList method) find_compute_neighlist() (fortran function) (lammps.lammps method) find_fix_neighlist() (fortran function) (lammps.lammps method) find_pair_neighlist() (fortran function) (lammps.lammps method) fitpod fix fix accelerate/cos fix acks2/reaxff fix acks2/reaxff/kk fix adapt fix adapt/fep fix add/heat fix addforce fix addtorque fix alchemy fix amoeba/bitorsion fix amoeba/pitorsion fix append/atoms fix atc fix atom/swap fix ave/atom fix ave/chunk fix ave/correlate fix ave/correlate/long fix ave/grid fix ave/histo fix ave/histo/weight fix ave/time fix aveforce fix balance fix bocs fix bond/break fix bond/create fix bond/create/angle fix bond/react fix bond/swap fix box/relax fix brownian fix brownian/asphere fix brownian/sphere fix charge/regulation fix cmap fix cmap/kk fix colvars fix colvars/kk fix controller fix damping/cundall fix deform fix deform/kk fix deform/pressure fix deposit fix dpd/energy fix dpd/energy/kk fix drag fix drude fix drude/transform/direct fix drude/transform/inverse fix dt/reset fix dt/reset/kk fix edpd/source fix efield fix efield/kk fix efield/tip4p fix ehex fix electrode/conp fix electrode/conp/intel fix electrode/conq fix electrode/conq/intel fix electrode/thermo fix electrode/thermo/intel fix electron/stopping fix electron/stopping/fit fix enforce2d fix enforce2d/kk fix eos/cv fix eos/table fix eos/table/rx fix eos/table/rx/kk fix evaporate fix external fix ffl fix filter/corotate fix flow/gauss fix freeze fix freeze/kk fix gcmc fix gld fix gle fix gravity fix gravity/kk fix gravity/omp fix grem fix halt fix heat fix heat/flow fix hyper/global fix hyper/local fix imd fix indent fix ipi fix langevin fix langevin/drude fix langevin/eff fix langevin/kk fix langevin/spin fix lb/fluid fix lb/momentum fix lb/viscous fix lineforce fix manifoldforce fix mdi/qm fix mdi/qmmm fix meso/move fix mol/swap fix momentum fix momentum/chunk fix momentum/kk fix move fix msst fix mvv/dpd fix mvv/edpd fix mvv/tdpd fix neb fix neb/spin fix nonaffine/displacement fix nph fix nph/asphere fix nph/asphere/omp fix nph/body fix nph/eff fix nph/kk fix nph/omp fix nph/sphere fix nph/sphere/omp fix nphug fix nphug/omp fix npt fix npt/asphere fix npt/asphere/omp fix npt/body fix npt/cauchy fix npt/eff fix npt/gpu fix npt/intel fix npt/kk fix npt/omp fix npt/sphere fix npt/sphere/omp fix npt/uef fix numdiff fix numdiff/virial fix nve fix nve/asphere fix nve/asphere/gpu fix nve/asphere/intel fix nve/asphere/noforce fix nve/awpmd fix nve/body fix nve/bpm/sphere fix nve/dot fix nve/dotc/langevin fix nve/eff fix nve/gpu fix nve/intel fix nve/kk fix nve/limit fix nve/limit/kk fix nve/line fix nve/manifold/rattle fix nve/noforce fix nve/omp fix nve/sphere fix nve/sphere/kk fix nve/sphere/omp fix nve/spin fix nve/tri fix nvk fix nvt fix nvt/asphere fix nvt/asphere/omp fix nvt/body fix nvt/eff fix nvt/gpu fix nvt/intel fix nvt/kk fix nvt/manifold/rattle fix nvt/omp fix nvt/sllod fix nvt/sllod/eff fix nvt/sllod/intel fix nvt/sllod/kk fix nvt/sllod/omp fix nvt/sphere fix nvt/sphere/omp fix nvt/uef fix oneway fix orient/bcc fix orient/eco fix orient/fcc fix pafi fix pair fix phonon fix pimd/langevin fix pimd/nvt fix planeforce fix plumed fix poems fix polarize/bem/gmres fix polarize/bem/icc fix polarize/functional fix pour fix precession/spin fix press/berendsen fix press/langevin fix print

fix propel/self fix property/atom fix property/atom/kk fix python/invoke fix python/move fix qbmsst fix qeq/comb fix qeq/comb/omp fix qeq/ctip fix qeq/dynamic fix qeq/fire fix qeq/point fix qeq/reaxff fix qeq/reaxff/kk fix qeq/reaxff/omp fix qeq/shielded fix qeq/slater fix qmmm fix qtb fix qtpie/reaxff fix rattle fix reaxff/bonds fix reaxff/bonds/kk fix reaxff/species fix reaxff/species/kk fix recenter fix recenter/kk fix restrain fix rheo fix rheo/oxidation fix rheo/pressure fix rheo/thermal fix rheo/viscosity fix rhok fix rigid fix rigid/meso fix rigid/nph fix rigid/nph/omp fix rigid/nph/small fix rigid/npt fix rigid/npt/omp fix rigid/npt/small fix rigid/nve fix rigid/nve/omp fix rigid/nve/small fix rigid/nvt fix rigid/nvt/omp fix rigid/nvt/small fix rigid/omp fix rigid/small fix rigid/small/omp fix rx fix rx/kk fix saed/vtk fix setforce fix setforce/kk fix setforce/spin fix sgcmc fix shake fix shake/kk fix shardlow fix shardlow/kk fix smd fix smd/adjust_dt fix smd/integrate_tlsph fix smd/integrate_ulsph fix smd/move_tri_surf fix smd/setvel fix smd/wall_surface fix sph fix sph/stationary fix spring fix spring/chunk fix spring/rg fix spring/self fix spring/self/kk fix srd fix store/force fix store/state fix tdpd/source fix temp/berendsen fix temp/berendsen/kk fix temp/csld fix temp/csvr fix temp/rescale fix temp/rescale/eff fix temp/rescale/kk fix tfmc fix tgnpt/drude fix tgnvt/drude fix thermal/conductivity fix ti/spring fix tmd fix ttm fix ttm/grid fix ttm/mod fix tune/kspace fix vector fix viscosity fix viscous fix viscous/kk fix viscous/sphere fix wall/body/polygon fix wall/body/polyhedron fix wall/colloid fix wall/ees fix wall/flow fix wall/flow/kk fix wall/gran fix wall/gran/kk fix wall/gran/region fix wall/harmonic fix wall/lepton fix wall/lj1043 fix wall/lj126 fix wall/lj93 fix wall/lj93/kk fix wall/morse fix wall/piston fix wall/reflect fix wall/reflect/kk fix wall/reflect/stochastic fix wall/region fix wall/region/ees fix wall/region/kk fix wall/srd fix wall/table fix widom fix_external_get_force() (fortran function) (lammps.lammps method) (lammps.numpy_wrapper.numpy_wrapper method) fix_external_set_energy_global() (fortran subroutine) (lammps.lammps method) fix_external_set_energy_peratom() (fortran subroutine) (lammps.lammps method) (lammps.numpy_wrapper.numpy_wrapper method) fix_external_set_vector() (fortran subroutine) (lammps.lammps method) fix_external_set_vector_length() (fortran subroutine) (lammps.lammps method) fix_external_set_virial_global() (fortran subroutine) (lammps.lammps method) fix_external_set_virial_peratom() (lammps.lammps method) (lammps.numpy_wrapper.numpy_wrapper method) fix_modify fix_modify AtC add_molecule fix_modify AtC add_species fix_modify AtC atom_element_map fix_modify AtC atom_weight fix_modify AtC atomic_charge fix_modify AtC boundary type fix_modify AtC boundary_dynamics fix_modify AtC boundary_faceset fix_modify AtC computes fix_modify AtC consistent_fe_initialization fix_modify AtC control localized_lambda fix_modify AtC control lumped_lambda_solve fix_modify AtC control mask_direction fix_modify AtC control momentum fix_modify AtC control thermal fix_modify AtC decomposition fix_modify AtC equilibrium_start fix_modify AtC extrinsic electron_integration fix_modify AtC extrinsic exchange fix_modify AtC fe_md_boundary fix_modify AtC fields fix_modify AtC filter fix_modify AtC filter scale fix_modify AtC filter type fix_modify AtC fix fix_modify AtC fix_flux fix_modify AtC gradients fix_modify AtC initial fix_modify AtC internal_element_set fix_modify AtC internal_quadrature fix_modify AtC kernel fix_modify AtC kernel_bandwidth fix_modify AtC mass_matrix fix_modify AtC material fix_modify AtC mesh add_to_nodeset fix_modify AtC mesh create fix_modify AtC mesh create_elementset fix_modify AtC mesh create_faceset box fix_modify AtC mesh create_faceset plane fix_modify AtC mesh create_nodeset fix_modify AtC mesh delete_elements fix_modify AtC mesh nodeset_to_elementset fix_modify AtC mesh output fix_modify AtC mesh quadrature fix_modify AtC mesh read fix_modify AtC mesh write fix_modify AtC on_the_fly fix_modify AtC output fix_modify AtC output boundary_integral fix_modify AtC output contour_integral fix_modify AtC output nodeset fix_modify AtC output volume_integral fix_modify AtC pair_interactions fix_modify AtC poisson_solver fix_modify AtC rates fix_modify AtC read_restart fix_modify AtC remove_molecule fix_modify AtC remove_source fix_modify AtC remove_species fix_modify AtC reset_atomic_reference_positions fix_modify AtC reset_time fix_modify AtC sample_frequency fix_modify AtC set reference_potential_energy fix_modify AtC source fix_modify AtC source_integration fix_modify AtC temperature_definition fix_modify AtC time_integration fix_modify AtC track_displacement fix_modify AtC unfix fix_modify AtC unfix_flux fix_modify AtC write_atom_weights fix_modify AtC write_restart fixes (lammps.PyLammps property) flush_buffers() (fortran subroutine) (lammps.lammps method) force (lammps.Atom property) (lammps.Atom2D property) force_timeout() (fortran subroutine) (lammps.lammps method)

G

gather() (fortran subroutine) gather_angles() (fortran subroutine) (lammps.lammps method) (lammps.numpy_wrapper.numpy_wrapper method) gather_atoms() (fortran subroutine) gather_atoms_concat() (fortran subroutine) gather_atoms_subset() (fortran subroutine) gather_bonds() (fortran subroutine) (lammps.lammps method) (lammps.numpy_wrapper.numpy_wrapper method) gather_concat() (fortran subroutine) gather_dihedrals() (fortran subroutine) (lammps.lammps method) (lammps.numpy_wrapper.numpy_wrapper method) gather_impropers() (fortran subroutine) (lammps.lammps method) (lammps.numpy_wrapper.numpy_wrapper method) gather_subset() (fortran subroutine) get() (lammps.NeighList method) (lammps.numpy_wrapper.NumPyNeighList method)

get_gpu_device_info() (fortran subroutine) (lammps.lammps method) get_last_error_message() (fortran subroutine) get_mpi_comm() (fortran function) (lammps.lammps method) get_natoms() (fortran function) (lammps.lammps method) get_neighlist() (lammps.lammps method) (lammps.numpy_wrapper.numpy_wrapper method) get_neighlist_element_neighbors() (lammps.lammps method) (lammps.numpy_wrapper.numpy_wrapper method) get_neighlist_size() (lammps.lammps method) get_os_info() (fortran subroutine) (lammps.lammps method) get_thermo() (fortran function) (lammps.lammps method) geturl group group2ndx groups (lammps.PyLammps property)

H

has_curl_support (lammps.lammps property) has_error() (fortran function) has_exceptions (lammps.lammps property) has_ffmpeg_support (lammps.lammps property) has_gpu_device (lammps.lammps property) has_gpu_device() (fortran function) has_gzip_support (lammps.lammps property) has_id() (fortran function) (lammps.lammps method)

has_jpeg_support (lammps.lammps property) has_mpi_support (lammps.lammps property) has_package() (lammps.lammps method) has_png_support (lammps.lammps property) has_style() (fortran function) (lammps.lammps method) hyper

I

id (lammps.Atom property) id_count() (fortran function) id_name() (fortran subroutine) if image() (lammps.IPyLammps method) improper_coeff improper_style improper_style amoeba improper_style class2 improper_style class2/kk improper_style class2/omp improper_style cossq improper_style cossq/omp improper_style cvff improper_style cvff/intel improper_style cvff/omp improper_style distance improper_style distharm improper_style fourier improper_style fourier/omp improper_style harmonic improper_style harmonic/intel improper_style harmonic/kk improper_style harmonic/omp

improper_style hybrid improper_style hybrid/kk improper_style inversion/harmonic improper_style none improper_style ring improper_style ring/omp improper_style sqdistharm improper_style umbrella improper_style umbrella/omp improper_style zero include info Input (C++ class) Input::file (C++ function), [1] Input::Input (C++ function) Input::one (C++ function) installed_packages (lammps.lammps property) installed_packages() (fortran subroutine) InvalidFloatException (C++ class) InvalidFloatException::InvalidFloatException (C++ function) InvalidIntegerException (C++ class) InvalidIntegerException::InvalidIntegerException (C++ function) IPyLammps (class in lammps) is_running (lammps.lammps property) is_running() (fortran function)

J

jump

K

kim_commands kspace_modify kspace_style ewald kspace_style ewald/dipole kspace_style ewald/dipole/spin kspace_style ewald/disp kspace_style ewald/disp/dipole kspace_style ewald/electrode kspace_style ewald/omp kspace_style msm kspace_style msm/cg kspace_style msm/cg/omp kspace_style msm/dielectric kspace_style msm/omp kspace_style pppm kspace_style pppm/cg kspace_style pppm/cg/omp kspace_style pppm/dielectric

kspace_style pppm/dipole kspace_style pppm/dipole/spin kspace_style pppm/disp kspace_style pppm/disp/dielectric kspace_style pppm/disp/intel kspace_style pppm/disp/omp kspace_style pppm/disp/tip4p kspace_style pppm/disp/tip4p/omp kspace_style pppm/electrode kspace_style pppm/electrode/intel kspace_style pppm/gpu kspace_style pppm/intel kspace_style pppm/kk kspace_style pppm/omp kspace_style pppm/stagger kspace_style pppm/tip4p kspace_style pppm/tip4p/omp kspace_style scafacos

L

label labelmap lammps module LAMMPS (C++ class) lammps (class in lammps) (fortran type) lammps() (fortran function) lammps.formats module LAMMPS::argv_pointers (C++ function) LAMMPS::is_installed_pkg (C++ function) LAMMPS::LAMMPS (C++ function), [1] LAMMPS::match_style (C++ function) LAMMPS::non_pair_suffix (C++ function) LAMMPS::~LAMMPS (C++ function) lammps_close (C++ function) lammps_command (C++ function) lammps_commands_list (C++ function) lammps_commands_string (C++ function) lammps_config_accelerator (C++ function) lammps_config_has_exceptions (C++ function) lammps_config_has_ffmpeg_support (C++ function) lammps_config_has_gzip_support (C++ function) lammps_config_has_jpeg_support (C++ function) lammps_config_has_mpi_support (C++ function) lammps_config_has_package (C++ function) lammps_config_has_png_support (C++ function) lammps_config_package_count (C++ function) lammps_config_package_name (C++ function) lammps_create_atoms (C++ function) lammps_decode_image_flags (C++ function) lammps_encode_image_flags (C++ function) lammps_error (C++ function) lammps_extract_atom (C++ function) lammps_extract_atom_datatype (C++ function) lammps_extract_atom_size (C++ function) lammps_extract_box (C++ function) lammps_extract_compute (C++ function) lammps_extract_fix (C++ function) lammps_extract_global (C++ function) lammps_extract_global_datatype (C++ function) lammps_extract_pair (C++ function) lammps_extract_pair_dimension (C++ function) lammps_extract_setting (C++ function) lammps_extract_variable (C++ function) lammps_extract_variable_datatype (C++ function) lammps_file (C++ function) lammps_find_compute_neighlist (C++ function) lammps_find_fix_neighlist (C++ function) lammps_find_pair_neighlist (C++ function) lammps_fix_external_get_force (C++ function) lammps_fix_external_set_energy_global (C++ function) lammps_fix_external_set_energy_peratom (C++ function) lammps_fix_external_set_vector (C++ function) lammps_fix_external_set_vector_length (C++ function) lammps_fix_external_set_virial_global (C++ function) lammps_fix_external_set_virial_peratom (C++ function) lammps_flush_buffers (C++ function) lammps_force_timeout (C++ function) lammps_free (C++ function) lammps_gather (C++ function) lammps_gather_angles (C++ function) lammps_gather_atoms (C++ function) lammps_gather_atoms_concat (C++ function) lammps_gather_atoms_subset (C++ function)

lammps_gather_bonds (C++ function) lammps_gather_concat (C++ function) lammps_gather_dihedrals (C++ function) lammps_gather_impropers (C++ function) lammps_gather_subset (C++ function) lammps_get_gpu_device_info (C++ function) lammps_get_last_error_message (C++ function) lammps_get_mpi_comm (C++ function) lammps_get_natoms (C++ function) lammps_get_os_info (C++ function) lammps_get_thermo (C++ function) lammps_has_error (C++ function) lammps_has_gpu_device (C++ function) lammps_has_id (C++ function) lammps_has_style (C++ function) lammps_id_count (C++ function) lammps_id_name (C++ function) lammps_is_running (C++ function) lammps_kokkos_finalize (C++ function) lammps_last_thermo (C++ function) lammps_map_atom (C++ function) lammps_memory_usage (C++ function) lammps_mpi_finalize (C++ function) lammps_mpi_init (C++ function) lammps_neighlist_element_neighbors (C++ function) lammps_neighlist_num_elements (C++ function) lammps_open (C++ function) lammps_open_fortran (C++ function) lammps_open_no_mpi (C++ function) lammps_python_api_version (C++ function) lammps_python_finalize (C++ function) lammps_reset_box (C++ function) lammps_scatter (C++ function) lammps_scatter_atoms (C++ function) lammps_scatter_atoms_subset (C++ function) lammps_scatter_subset (C++ function) lammps_set_fix_external_callback (C++ function) lammps_set_internal_variable (C++ function) lammps_set_string_variable (C++ function) lammps_set_variable (C++ function) lammps_style (fortran type) lammps_style_count (C++ function) lammps_style_name (C++ function) lammps_type (fortran type) lammps_variable_info (C++ function) lammps_version (C++ function) last_run (lammps.PyLammps property) last_thermo() (fortran function) (lammps.lammps method) last_thermo_step (lammps.lammps property) lattice LIBLAMMPS (module) lmp_print() (lammps.PyLammps method) LMP_SIZE_COLS (C++ enumerator) LMP_SIZE_ROWS (C++ enumerator) LMP_SIZE_VECTOR (C++ enumerator) LMP_STYLE_ATOM (C++ enumerator) LMP_STYLE_GLOBAL (C++ enumerator) LMP_STYLE_LOCAL (C++ enumerator) LMP_TYPE_ARRAY (C++ enumerator) LMP_TYPE_SCALAR (C++ enumerator) LMP_TYPE_VECTOR (C++ enumerator) LMP_VAR_ATOM (C++ enumerator) LMP_VAR_EQUAL (C++ enumerator) LMP_VAR_STRING (C++ enumerator) LMP_VAR_VECTOR (C++ enumerator) log

M

map_atom() (lammps.lammps method) mass (lammps.Atom property) MathEigen::jacobi3 (C++ function), [1] MathSpecial::cube (C++ function) MathSpecial::exp2_x86 (C++ function) MathSpecial::expmsq (C++ function) MathSpecial::factorial (C++ function) MathSpecial::fm_exp (C++ function) MathSpecial::my_erfcx (C++ function) MathSpecial::powint (C++ function) MathSpecial::powsign (C++ function) MathSpecial::powsinxx (C++ function) MathSpecial::square (C++ function) mdi memory_usage() (fortran subroutine) min_modify min_style min_style spin minimize minimize/kk module lammps lammps.formats mol (lammps.Atom property)

molecule multitype::_LMP_DATATYPE_CONST (C++ enum) multitype::_LMP_DATATYPE_CONST::LAMMPS_DOUBLE (C++ enumerator) multitype::_LMP_DATATYPE_CONST::LAMMPS_DOUBLE_2D (C++ enumerator) multitype::_LMP_DATATYPE_CONST::LAMMPS_INT (C++ enumerator) multitype::_LMP_DATATYPE_CONST::LAMMPS_INT64 (C++ enumerator) multitype::_LMP_DATATYPE_CONST::LAMMPS_INT64_2D (C++ enumerator) multitype::_LMP_DATATYPE_CONST::LAMMPS_INT_2D (C++ enumerator) multitype::_LMP_DATATYPE_CONST::LAMMPS_NONE (C++ enumerator) multitype::_LMP_DATATYPE_CONST::LAMMPS_STRING (C++ enumerator) MyPage (C++ class) MyPage::get (C++ function) MyPage::init (C++ function) MyPage::MyPage (C++ function) MyPage::reset (C++ function) MyPage::size (C++ function) MyPage::status (C++ function) MyPage::vget (C++ function) MyPage::vgot (C++ function) MyPoolChunk (C++ class) MyPoolChunk::get (C++ function), [1] MyPoolChunk::MyPoolChunk (C++ function) MyPoolChunk::put (C++ function) MyPoolChunk::size (C++ function) MyPoolChunk::status (C++ function) MyPoolChunk::~MyPoolChunk (C++ function)

N

ndx2group neb neb/spin neigh_modify neighbor NeighList (class in lammps)

neighlist_element_neighbors() (fortran subroutine) neighlist_num_elements() (fortran function) newton next numpy (lammps.lammps property) numpy_wrapper (class in lammps.numpy_wrapper) NumPyNeighList (class in lammps.numpy_wrapper)

O

omega (lammps.Atom property)

P

package pair_coeff pair_modify pair_style pair_style adp pair_style adp/kk pair_style adp/omp pair_style agni pair_style agni/omp pair_style aip/water/2dm pair_style aip/water/2dm/opt pair_style airebo pair_style airebo/intel pair_style airebo/morse pair_style airebo/morse/intel pair_style airebo/morse/omp pair_style airebo/omp pair_style amoeba pair_style amoeba/gpu pair_style atm pair_style awpmd/cut pair_style beck pair_style beck/gpu pair_style beck/omp pair_style body/nparticle pair_style body/rounded/polygon pair_style body/rounded/polyhedron pair_style bop pair_style born pair_style born/coul/dsf pair_style born/coul/dsf/cs pair_style born/coul/long pair_style born/coul/long/cs pair_style born/coul/long/cs/gpu pair_style born/coul/long/gpu pair_style born/coul/long/omp pair_style born/coul/msm pair_style born/coul/msm/omp pair_style born/coul/wolf pair_style born/coul/wolf/cs pair_style born/coul/wolf/cs/gpu pair_style born/coul/wolf/gpu pair_style born/coul/wolf/omp pair_style born/gauss pair_style born/gpu pair_style born/omp pair_style bpm/spring pair_style brownian pair_style brownian/kk pair_style brownian/omp pair_style brownian/poly pair_style brownian/poly/omp pair_style buck pair_style buck/coul/cut pair_style buck/coul/cut/gpu pair_style buck/coul/cut/intel pair_style buck/coul/cut/kk pair_style buck/coul/cut/omp pair_style buck/coul/long pair_style buck/coul/long/cs pair_style buck/coul/long/gpu pair_style buck/coul/long/intel pair_style buck/coul/long/kk pair_style buck/coul/long/omp pair_style buck/coul/msm pair_style buck/coul/msm/omp pair_style buck/gpu pair_style buck/intel pair_style buck/kk pair_style buck/long/coul/long pair_style buck/long/coul/long/omp pair_style buck/mdf pair_style buck/omp pair_style buck6d/coul/gauss/dsf pair_style buck6d/coul/gauss/long pair_style colloid pair_style colloid/gpu pair_style colloid/omp pair_style comb pair_style comb/omp pair_style comb3 pair_style cosine/squared pair_style coul/ctip pair_style coul/cut pair_style coul/cut/dielectric pair_style coul/cut/global pair_style coul/cut/global/omp pair_style coul/cut/gpu pair_style coul/cut/kk pair_style coul/cut/omp pair_style coul/cut/soft pair_style coul/cut/soft/omp pair_style coul/debye pair_style coul/debye/gpu pair_style coul/debye/kk pair_style coul/debye/omp pair_style coul/diel pair_style coul/diel/omp pair_style coul/dsf pair_style coul/dsf/gpu pair_style coul/dsf/kk pair_style coul/dsf/omp pair_style coul/exclude pair_style coul/long pair_style coul/long/cs pair_style coul/long/cs/gpu pair_style coul/long/dielectric pair_style coul/long/gpu pair_style coul/long/kk pair_style coul/long/omp pair_style coul/long/soft pair_style coul/long/soft/omp pair_style coul/msm pair_style coul/msm/omp pair_style coul/shield pair_style coul/slater pair_style coul/slater/cut pair_style coul/slater/long pair_style coul/slater/long/gpu pair_style coul/streitz pair_style coul/tt pair_style coul/wolf pair_style coul/wolf/cs pair_style coul/wolf/kk pair_style coul/wolf/omp pair_style dpd pair_style dpd/coul/slater/long pair_style dpd/coul/slater/long/gpu pair_style dpd/ext pair_style dpd/ext/kk pair_style dpd/ext/omp pair_style dpd/ext/tstat pair_style dpd/ext/tstat/kk pair_style dpd/ext/tstat/omp pair_style dpd/fdt pair_style dpd/fdt/energy pair_style dpd/fdt/energy/kk pair_style dpd/gpu pair_style dpd/intel pair_style dpd/kk pair_style dpd/omp pair_style dpd/tstat pair_style dpd/tstat/gpu pair_style dpd/tstat/kk pair_style dpd/tstat/omp pair_style drip pair_style dsmc pair_style e3b pair_style eam pair_style eam/alloy pair_style eam/alloy/gpu pair_style eam/alloy/intel pair_style eam/alloy/kk pair_style eam/alloy/omp pair_style eam/alloy/opt pair_style eam/cd pair_style eam/cd/old pair_style eam/fs pair_style eam/fs/gpu pair_style eam/fs/intel pair_style eam/fs/kk pair_style eam/fs/omp pair_style eam/fs/opt pair_style eam/gpu pair_style eam/he pair_style eam/intel pair_style eam/kk pair_style eam/omp pair_style eam/opt pair_style edip pair_style edip/multi pair_style edip/omp pair_style edpd pair_style edpd/gpu pair_style eff/cut pair_style eim pair_style eim/omp pair_style exp6/rx pair_style exp6/rx/kk pair_style extep pair_style gauss pair_style gauss/cut pair_style gauss/cut/omp pair_style gauss/gpu pair_style gauss/omp pair_style gayberne pair_style gayberne/gpu pair_style gayberne/intel pair_style gayberne/omp pair_style gran/hertz/history pair_style gran/hertz/history/omp pair_style gran/hooke pair_style gran/hooke/history pair_style gran/hooke/history/kk pair_style gran/hooke/history/omp pair_style gran/hooke/omp pair_style granular pair_style gw pair_style gw/zbl pair_style harmonic/cut pair_style harmonic/cut/omp pair_style hbond/dreiding/lj pair_style hbond/dreiding/lj/omp pair_style hbond/dreiding/morse pair_style hbond/dreiding/morse/omp pair_style hdnnp pair_style hippo pair_style hippo/gpu pair_style hybrid pair_style hybrid/kk pair_style hybrid/molecular pair_style hybrid/molecular/omp pair_style hybrid/omp pair_style hybrid/overlay pair_style hybrid/overlay/kk pair_style hybrid/overlay/omp pair_style hybrid/scaled pair_style hybrid/scaled/omp pair_style ilp/graphene/hbn pair_style ilp/graphene/hbn/opt pair_style ilp/tmd pair_style ilp/tmd/opt pair_style kim pair_style kolmogorov/crespi/full pair_style kolmogorov/crespi/z pair_style lcbop pair_style lebedeva/z pair_style lennard/mdf pair_style lepton pair_style lepton/coul pair_style lepton/coul/omp pair_style lepton/omp pair_style lepton/sphere pair_style lepton/sphere/omp pair_style line/lj pair_style list pair_style lj/charmm/coul/charmm pair_style lj/charmm/coul/charmm/gpu pair_style lj/charmm/coul/charmm/implicit pair_style lj/charmm/coul/charmm/implicit/kk pair_style lj/charmm/coul/charmm/implicit/omp pair_style lj/charmm/coul/charmm/intel pair_style lj/charmm/coul/charmm/kk pair_style lj/charmm/coul/charmm/omp pair_style lj/charmm/coul/long pair_style lj/charmm/coul/long/gpu pair_style lj/charmm/coul/long/intel pair_style lj/charmm/coul/long/kk pair_style lj/charmm/coul/long/omp pair_style lj/charmm/coul/long/opt pair_style lj/charmm/coul/long/soft pair_style lj/charmm/coul/long/soft/omp pair_style lj/charmm/coul/msm pair_style lj/charmm/coul/msm/omp pair_style lj/charmmfsw/coul/charmmfsh pair_style lj/charmmfsw/coul/long pair_style lj/charmmfsw/coul/long/kk pair_style lj/class2 pair_style lj/class2/coul/cut pair_style lj/class2/coul/cut/kk pair_style lj/class2/coul/cut/omp pair_style lj/class2/coul/cut/soft pair_style lj/class2/coul/long pair_style lj/class2/coul/long/cs pair_style lj/class2/coul/long/gpu pair_style lj/class2/coul/long/kk pair_style lj/class2/coul/long/omp pair_style lj/class2/coul/long/soft pair_style lj/class2/gpu pair_style lj/class2/kk pair_style lj/class2/omp pair_style lj/class2/soft pair_style lj/cubic pair_style lj/cubic/gpu pair_style lj/cubic/omp pair_style lj/cut pair_style lj/cut/coul/cut pair_style lj/cut/coul/cut/dielectric pair_style lj/cut/coul/cut/dielectric/omp pair_style lj/cut/coul/cut/gpu pair_style lj/cut/coul/cut/kk pair_style lj/cut/coul/cut/omp pair_style lj/cut/coul/cut/soft pair_style lj/cut/coul/cut/soft/gpu pair_style lj/cut/coul/cut/soft/omp pair_style lj/cut/coul/debye pair_style lj/cut/coul/debye/dielectric pair_style lj/cut/coul/debye/dielectric/omp pair_style lj/cut/coul/debye/gpu pair_style lj/cut/coul/debye/kk pair_style lj/cut/coul/debye/omp pair_style lj/cut/coul/dsf pair_style lj/cut/coul/dsf/gpu pair_style lj/cut/coul/dsf/kk pair_style lj/cut/coul/dsf/omp pair_style lj/cut/coul/long pair_style lj/cut/coul/long/cs pair_style lj/cut/coul/long/dielectric pair_style lj/cut/coul/long/dielectric/omp pair_style lj/cut/coul/long/gpu pair_style lj/cut/coul/long/intel pair_style lj/cut/coul/long/kk pair_style lj/cut/coul/long/omp pair_style lj/cut/coul/long/opt pair_style lj/cut/coul/long/soft pair_style lj/cut/coul/long/soft/gpu pair_style lj/cut/coul/long/soft/omp pair_style lj/cut/coul/msm pair_style lj/cut/coul/msm/dielectric pair_style lj/cut/coul/msm/gpu pair_style lj/cut/coul/msm/omp pair_style lj/cut/coul/wolf pair_style lj/cut/coul/wolf/omp pair_style lj/cut/dipole/cut pair_style lj/cut/dipole/cut/gpu pair_style lj/cut/dipole/cut/kk pair_style lj/cut/dipole/cut/omp pair_style lj/cut/dipole/long pair_style lj/cut/dipole/long/gpu pair_style lj/cut/gpu pair_style lj/cut/intel pair_style lj/cut/kk pair_style lj/cut/omp pair_style lj/cut/opt pair_style lj/cut/soft pair_style lj/cut/soft/omp pair_style lj/cut/sphere

pair_style lj/cut/sphere/omp pair_style lj/cut/thole/long pair_style lj/cut/thole/long/omp pair_style lj/cut/tip4p/cut pair_style lj/cut/tip4p/cut/omp pair_style lj/cut/tip4p/long pair_style lj/cut/tip4p/long/gpu pair_style lj/cut/tip4p/long/omp pair_style lj/cut/tip4p/long/opt pair_style lj/cut/tip4p/long/soft pair_style lj/cut/tip4p/long/soft/omp pair_style lj/expand pair_style lj/expand/coul/long pair_style lj/expand/coul/long/gpu pair_style lj/expand/coul/long/kk pair_style lj/expand/gpu pair_style lj/expand/kk pair_style lj/expand/omp pair_style lj/expand/sphere pair_style lj/expand/sphere/omp pair_style lj/gromacs pair_style lj/gromacs/coul/gromacs pair_style lj/gromacs/coul/gromacs/kk pair_style lj/gromacs/coul/gromacs/omp pair_style lj/gromacs/gpu pair_style lj/gromacs/kk pair_style lj/gromacs/omp pair_style lj/long/coul/long pair_style lj/long/coul/long/dielectric pair_style lj/long/coul/long/intel pair_style lj/long/coul/long/omp pair_style lj/long/coul/long/opt pair_style lj/long/dipole/long pair_style lj/long/tip4p/long pair_style lj/long/tip4p/long/omp pair_style lj/mdf pair_style lj/relres pair_style lj/relres/omp pair_style lj/sf/dipole/sf pair_style lj/sf/dipole/sf/gpu pair_style lj/sf/dipole/sf/omp pair_style lj/smooth pair_style lj/smooth/gpu pair_style lj/smooth/linear pair_style lj/smooth/linear/omp pair_style lj/smooth/omp pair_style lj/spica pair_style lj/spica/coul/long pair_style lj/spica/coul/long/gpu pair_style lj/spica/coul/long/kk pair_style lj/spica/coul/long/omp pair_style lj/spica/coul/msm pair_style lj/spica/coul/msm/omp pair_style lj/spica/gpu pair_style lj/spica/kk pair_style lj/spica/omp pair_style lj/switch3/coulgauss/long pair_style lj96/cut pair_style lj96/cut/gpu pair_style lj96/cut/omp pair_style local/density pair_style lubricate pair_style lubricate/omp pair_style lubricate/poly pair_style lubricate/poly/omp pair_style lubricateU pair_style lubricateU/poly pair_style mdpd pair_style mdpd/gpu pair_style mdpd/rhosum pair_style meam pair_style meam/kk pair_style meam/ms pair_style meam/ms/kk pair_style meam/spline pair_style meam/spline/omp pair_style meam/sw/spline pair_style mesocnt pair_style mesocnt/viscous pair_style mgpt pair_style mie/cut pair_style mie/cut/gpu pair_style mliap pair_style mliap/kk pair_style mm3/switch3/coulgauss/long pair_style momb pair_style morse pair_style morse/gpu pair_style morse/kk pair_style morse/omp pair_style morse/opt pair_style morse/smooth/linear pair_style morse/smooth/linear/omp pair_style morse/soft pair_style multi/lucy pair_style multi/lucy/rx pair_style multi/lucy/rx/kk pair_style nb3b/harmonic pair_style nb3b/screened pair_style nm/cut pair_style nm/cut/coul/cut pair_style nm/cut/coul/cut/omp pair_style nm/cut/coul/long pair_style nm/cut/coul/long/omp pair_style nm/cut/omp pair_style nm/cut/split pair_style none pair_style oxdna/coaxstk pair_style oxdna/excv pair_style oxdna/hbond pair_style oxdna/stk pair_style oxdna/xstk pair_style oxdna2/coaxstk pair_style oxdna2/dh pair_style oxdna2/excv pair_style oxdna2/hbond pair_style oxdna2/stk pair_style oxdna2/xstk pair_style oxrna2/coaxstk pair_style oxrna2/dh pair_style oxrna2/excv pair_style oxrna2/hbond pair_style oxrna2/stk pair_style oxrna2/xstk pair_style pace pair_style pace/extrapolation pair_style pace/extrapolation/kk pair_style pace/kk pair_style pedone pair_style pedone/omp pair_style peri/eps pair_style peri/lps pair_style peri/lps/omp pair_style peri/pmb pair_style peri/pmb/omp pair_style peri/ves pair_style pod pair_style pod/kk pair_style polymorphic pair_style python pair_style quip pair_style rann pair_style reaxff pair_style reaxff/kk pair_style reaxff/omp pair_style rebo pair_style rebo/intel pair_style rebo/omp pair_style rebomos pair_style rebomos/omp pair_style resquared pair_style resquared/gpu pair_style resquared/omp pair_style rheo pair_style rheo/solid pair_style saip/metal pair_style saip/metal/opt pair_style sdpd/taitwater/isothermal pair_style smatb pair_style smatb/single pair_style smd/hertz pair_style smd/tlsph pair_style smd/tri_surface pair_style smd/ulsph pair_style smtbq pair_style snap pair_style snap/intel pair_style snap/kk pair_style soft pair_style soft/gpu pair_style soft/kk pair_style soft/omp pair_style sph/heatconduction pair_style sph/heatconduction/gpu pair_style sph/idealgas pair_style sph/lj pair_style sph/lj/gpu pair_style sph/rhosum pair_style sph/taitwater pair_style sph/taitwater/gpu pair_style sph/taitwater/morris pair_style spin/dipole/cut pair_style spin/dipole/long pair_style spin/dmi pair_style spin/exchange pair_style spin/exchange/biquadratic pair_style spin/magelec pair_style spin/neel pair_style srp pair_style srp/react pair_style sw pair_style sw/angle/table pair_style sw/gpu pair_style sw/intel pair_style sw/kk pair_style sw/mod pair_style sw/mod/omp pair_style sw/omp pair_style table pair_style table/gpu pair_style table/kk pair_style table/omp pair_style table/rx pair_style table/rx/kk pair_style tdpd pair_style tersoff pair_style tersoff/gpu pair_style tersoff/intel pair_style tersoff/kk pair_style tersoff/mod pair_style tersoff/mod/c pair_style tersoff/mod/c/omp pair_style tersoff/mod/gpu pair_style tersoff/mod/kk pair_style tersoff/mod/omp pair_style tersoff/omp pair_style tersoff/table pair_style tersoff/table/omp pair_style tersoff/zbl pair_style tersoff/zbl/gpu pair_style tersoff/zbl/kk pair_style tersoff/zbl/omp pair_style thole pair_style threebody/table pair_style tip4p/cut pair_style tip4p/cut/omp pair_style tip4p/long pair_style tip4p/long/omp pair_style tip4p/long/soft pair_style tip4p/long/soft/omp pair_style tracker pair_style tri/lj pair_style uf3 pair_style uf3/kk pair_style ufm pair_style ufm/gpu pair_style ufm/omp pair_style ufm/opt pair_style vashishta pair_style vashishta/gpu pair_style vashishta/kk pair_style vashishta/omp pair_style vashishta/table pair_style vashishta/table/omp pair_style wf/cut pair_style ylz pair_style yukawa pair_style yukawa/colloid pair_style yukawa/colloid/gpu pair_style yukawa/colloid/kk pair_style yukawa/colloid/omp pair_style yukawa/gpu pair_style yukawa/kk pair_style yukawa/omp pair_style zbl pair_style zbl/gpu pair_style zbl/kk pair_style zbl/omp pair_style zero pair_write partition platform::chdir (C++ function) platform::compiler_info (C++ function) platform::compress_info (C++ function) platform::compressed_read (C++ function) platform::compressed_write (C++ function) platform::cputime (C++ function) platform::current_directory (C++ function) platform::cxx_standard (C++ function) platform::disk_free (C++ function) platform::dlclose (C++ function) platform::dlerror (C++ function) platform::dlopen (C++ function) platform::dlsym (C++ function) platform::END_OF_FILE (C++ member) platform::file_is_readable (C++ function) platform::filepathsep (C++ member) platform::find_exe_path (C++ function) platform::fseek (C++ function) platform::ftell (C++ function) platform::ftruncate (C++ function) platform::guesspath (C++ function) platform::has_compress_extension (C++ function) platform::is_console (C++ function) platform::list_directory (C++ function) platform::list_pathenv (C++ function) platform::mkdir (C++ function) platform::mpi_info (C++ function) platform::mpi_vendor (C++ function) platform::openmp_standard (C++ function) platform::os_info (C++ function) platform::path_basename (C++ function) platform::path_is_directory (C++ function) platform::path_join (C++ function) platform::pathvarsep (C++ member) platform::pclose (C++ function) platform::popen (C++ function) platform::putenv (C++ function) platform::rmdir (C++ function) platform::unlink (C++ function) platform::unsetenv (C++ function) platform::usleep (C++ function) platform::walltime (C++ function) plugin plugin_count() (fortran function) plugin_name() (fortran subroutine) Pointers (C++ class) position (lammps.Atom property) (lammps.Atom2D property) PotentialFileReader (C++ class) PotentialFileReader::ignore_comments (C++ function) PotentialFileReader::next_bigint (C++ function) PotentialFileReader::next_double (C++ function) PotentialFileReader::next_dvector (C++ function) PotentialFileReader::next_int (C++ function) PotentialFileReader::next_line (C++ function) PotentialFileReader::next_string (C++ function) PotentialFileReader::next_tagint (C++ function) PotentialFileReader::next_values (C++ function) PotentialFileReader::PotentialFileReader (C++ function) PotentialFileReader::rewind (C++ function) PotentialFileReader::skip_line (C++ function) PotentialFileReader::~PotentialFileReader (C++ function) prd print processors PyLammps (class in lammps) python

Q

quit

R

radius (lammps.Atom property) read_data read_dump read_restart region replicate rerun

reset_atoms reset_box() (fortran subroutine) (lammps.lammps method) reset_timestep restart run run() (lammps.PyLammps method) run_style

S

scatter() (fortran subroutine) scatter_atoms() (fortran subroutine) scatter_atoms_subset() (fortran subroutine) scatter_subset() (fortran subroutine) set set_fix_external_callback() (fortran subroutine) (lammps.lammps method) set_fix_external_set_virial_peratom() (fortran subroutine) set_internal_variable() (fortran subroutine) (lammps.lammps method)

set_string_variable() (fortran subroutine) (lammps.lammps method) set_variable() (fortran subroutine) (lammps.lammps method) shell size (lammps.NeighList property) special_bonds style_count() (fortran function) style_name() (fortran subroutine) suffix system (lammps.PyLammps property)

T

tad temper temper/grem temper/npt TextFileReader (C++ class) TextFileReader::ignore_comments (C++ member) TextFileReader::next_dvector (C++ function) TextFileReader::next_line (C++ function) TextFileReader::next_values (C++ function) TextFileReader::rewind (C++ function) TextFileReader::set_bufsize (C++ function) TextFileReader::skip_line (C++ function) TextFileReader::TextFileReader (C++ function), [1] TextFileReader::~TextFileReader (C++ function) thermo thermo_modify thermo_style third_order

third_order/kk timer timestep Tokenizer (C++ class) Tokenizer::as_vector (C++ function) Tokenizer::contains (C++ function) Tokenizer::count (C++ function) Tokenizer::has_next (C++ function) Tokenizer::matches (C++ function) Tokenizer::next (C++ function) Tokenizer::reset (C++ function) Tokenizer::skip (C++ function) Tokenizer::Tokenizer (C++ function) TokenizerException (C++ class) TokenizerException::TokenizerException (C++ function) TokenizerException::what (C++ function) torque (lammps.Atom property) type (lammps.Atom property)

U

ubuf (C++ union) ubuf::d (C++ member) ubuf::i (C++ member) ubuf::ubuf (C++ function), [1], [2] uncompute undump unfix units utils::binary_search (C++ function) utils::bnumeric (C++ function), [1] utils::bounds (C++ function) utils::bounds_typelabel (C++ function) utils::check_packages_for_style (C++ function) utils::count_words (C++ function), [1], [2] utils::current_date (C++ function) utils::date2num (C++ function) utils::errorurl (C++ function) utils::expand_args (C++ function) utils::expand_type (C++ function) utils::fgets_trunc (C++ function) utils::flush_buffers (C++ function) utils::get_conversion_factor (C++ function) utils::get_potential_date (C++ function) utils::get_potential_file_path (C++ function) utils::get_potential_units (C++ function) utils::get_supported_conversions (C++ function) utils::getsyserror (C++ function) utils::has_utf8 (C++ function) utils::inumeric (C++ function), [1]

utils::is_double (C++ function) utils::is_id (C++ function) utils::is_integer (C++ function) utils::is_type (C++ function) utils::join_words (C++ function) utils::logical (C++ function), [1] utils::logmesg (C++ function), [1] utils::lowercase (C++ function) utils::merge_sort (C++ function) utils::missing_cmd_args (C++ function) utils::numeric (C++ function), [1] utils::open_potential (C++ function) utils::parse_grid_id (C++ function) utils::read_lines_from_file (C++ function) utils::sfgets (C++ function) utils::sfread (C++ function) utils::split_lines (C++ function) utils::split_words (C++ function) utils::star_subst (C++ function) utils::strdup (C++ function) utils::strfind (C++ function) utils::strip_style_suffix (C++ function) utils::strmatch (C++ function) utils::timespec2seconds (C++ function) utils::tnumeric (C++ function), [1] utils::trim (C++ function) utils::trim_and_count_words (C++ function) utils::trim_comment (C++ function) utils::uppercase (C++ function) utils::utf8_subst (C++ function)

V

ValueTokenizer (C++ class) ValueTokenizer::contains (C++ function) ValueTokenizer::count (C++ function) ValueTokenizer::has_next (C++ function) ValueTokenizer::matches (C++ function) ValueTokenizer::next_bigint (C++ function) ValueTokenizer::next_double (C++ function) ValueTokenizer::next_int (C++ function) ValueTokenizer::next_string (C++ function) ValueTokenizer::next_tagint (C++ function)

ValueTokenizer::skip (C++ function) ValueTokenizer::ValueTokenizer (C++ function) variable variables (lammps.PyLammps property) velocity (lammps.Atom property) (lammps.Atom2D property) version() (fortran function) (lammps.lammps method) (lammps.PyLammps method) video() (lammps.IPyLammps method)

W

write_coeff write_data

write_dump write_restart write_script() (lammps.PyLammps method)