Index

C

call_function_lmp() (in module pylammpsmpi.wrapper.concurrent) cell_is_skewed() (in module pylammpsmpi.wrapper.ase) close() (pylammpsmpi.LammpsASELibrary method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.LammpsLibrary method) (pylammpsmpi.wrapper.ase.LammpsASELibrary method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method) (pylammpsmpi.wrapper.extended.LammpsLibrary method) command() (in module pylammpsmpi.mpi.lmpmpi) (pylammpsmpi.LammpsBase method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.wrapper.base.LammpsBase method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method)

commands_list() (in module pylammpsmpi.mpi.lmpmpi) commands_string() (in module pylammpsmpi.mpi.lmpmpi) create_atoms() (in module pylammpsmpi.mpi.lmpmpi) (pylammpsmpi.LammpsBase method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.wrapper.base.LammpsBase method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method)

E

extract_atom() (in module pylammpsmpi.mpi.lmpmpi) (pylammpsmpi.LammpsBase method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.wrapper.base.LammpsBase method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method) extract_box() (in module pylammpsmpi.mpi.lmpmpi) (pylammpsmpi.LammpsBase method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.wrapper.base.LammpsBase method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method) extract_compute() (in module pylammpsmpi.mpi.lmpmpi) (pylammpsmpi.LammpsBase method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.wrapper.base.LammpsBase method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method) extract_fix() (in module pylammpsmpi.mpi.lmpmpi) (pylammpsmpi.LammpsBase method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.wrapper.base.LammpsBase method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method)

extract_global() (in module pylammpsmpi.mpi.lmpmpi) (pylammpsmpi.LammpsBase method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.wrapper.base.LammpsBase method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method) extract_setting() (in module pylammpsmpi.mpi.lmpmpi) (pylammpsmpi.LammpsBase method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.wrapper.base.LammpsBase method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method) extract_variable() (in module pylammpsmpi.mpi.lmpmpi) (pylammpsmpi.LammpsBase method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.wrapper.base.LammpsBase method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method)

F

file() (pylammpsmpi.LammpsBase method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.wrapper.base.LammpsBase method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method) find_compute_neighlist() (in module pylammpsmpi.mpi.lmpmpi) (pylammpsmpi.LammpsBase method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.wrapper.base.LammpsBase method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method)

find_fix_neighlist() (in module pylammpsmpi.mpi.lmpmpi) (pylammpsmpi.LammpsBase method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.wrapper.base.LammpsBase method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method) find_pair_neighlist() (in module pylammpsmpi.mpi.lmpmpi) (pylammpsmpi.LammpsBase method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.wrapper.base.LammpsBase method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method)

G

gather_atoms() (in module pylammpsmpi.mpi.lmpmpi) (pylammpsmpi.LammpsBase method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.wrapper.base.LammpsBase method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method) gather_atoms_concat() (in module pylammpsmpi.mpi.lmpmpi) gather_atoms_subset() (in module pylammpsmpi.mpi.lmpmpi) generate_atoms() (pylammpsmpi.LammpsBase method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.wrapper.base.LammpsBase method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method) get_file() (in module pylammpsmpi.mpi.lmpmpi) get_fixed_atom_boolean_vector() (in module pylammpsmpi.wrapper.ase) get_lammps_indicies_from_ase_indices() (in module pylammpsmpi.wrapper.ase) get_lammps_indicies_from_ase_structure() (in module pylammpsmpi.wrapper.ase) get_natoms() (in module pylammpsmpi.mpi.lmpmpi) (pylammpsmpi.LammpsBase method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.wrapper.base.LammpsBase method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method) get_neighlist() (in module pylammpsmpi.mpi.lmpmpi) (pylammpsmpi.LammpsBase method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.wrapper.base.LammpsBase method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method)

get_neighlist_element_neighbors() (in module pylammpsmpi.mpi.lmpmpi) (pylammpsmpi.LammpsBase method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.wrapper.base.LammpsBase method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method) get_neighlist_size() (in module pylammpsmpi.mpi.lmpmpi) (pylammpsmpi.LammpsBase method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.wrapper.base.LammpsBase method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method) get_result() (in module pylammpsmpi.wrapper.base) get_species_indices_dict() (in module pylammpsmpi.wrapper.ase) get_species_symbols() (in module pylammpsmpi.wrapper.ase) get_structure_indices() (in module pylammpsmpi.wrapper.ase) get_thermo() (in module pylammpsmpi.mpi.lmpmpi) (pylammpsmpi.LammpsBase method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.wrapper.base.LammpsBase method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method) get_version() (in module pylammpsmpi.mpi.lmpmpi)

H

has_exceptions (pylammpsmpi.LammpsBase property) (pylammpsmpi.LammpsConcurrent property) (pylammpsmpi.wrapper.base.LammpsBase property) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent property) has_exceptions() (in module pylammpsmpi.mpi.lmpmpi) has_ffmpeg_support (pylammpsmpi.LammpsBase property) (pylammpsmpi.LammpsConcurrent property) (pylammpsmpi.wrapper.base.LammpsBase property) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent property) has_ffmpeg_support() (in module pylammpsmpi.mpi.lmpmpi) has_gzip_support (pylammpsmpi.LammpsBase property) (pylammpsmpi.LammpsConcurrent property) (pylammpsmpi.wrapper.base.LammpsBase property) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent property)

has_gzip_support() (in module pylammpsmpi.mpi.lmpmpi) has_jpeg_support (pylammpsmpi.LammpsBase property) (pylammpsmpi.LammpsConcurrent property) (pylammpsmpi.wrapper.base.LammpsBase property) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent property) has_jpeg_support() (in module pylammpsmpi.mpi.lmpmpi) has_png_support (pylammpsmpi.LammpsBase property) (pylammpsmpi.LammpsConcurrent property) (pylammpsmpi.wrapper.base.LammpsBase property) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent property) has_png_support() (in module pylammpsmpi.mpi.lmpmpi)

I

init_function() (in module pylammpsmpi) (in module pylammpsmpi.wrapper.concurrent) installed_packages (pylammpsmpi.LammpsBase property) (pylammpsmpi.LammpsConcurrent property) (pylammpsmpi.wrapper.base.LammpsBase property) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent property) installed_packages() (in module pylammpsmpi.mpi.lmpmpi) interactive_cells_getter() (pylammpsmpi.LammpsASELibrary method) (pylammpsmpi.wrapper.ase.LammpsASELibrary method) interactive_cells_setter() (pylammpsmpi.LammpsASELibrary method) (pylammpsmpi.wrapper.ase.LammpsASELibrary method) interactive_energy_pot_getter() (pylammpsmpi.LammpsASELibrary method) (pylammpsmpi.wrapper.ase.LammpsASELibrary method) interactive_energy_tot_getter() (pylammpsmpi.LammpsASELibrary method) (pylammpsmpi.wrapper.ase.LammpsASELibrary method) interactive_forces_getter() (pylammpsmpi.LammpsASELibrary method) (pylammpsmpi.wrapper.ase.LammpsASELibrary method) interactive_indices_getter() (pylammpsmpi.LammpsASELibrary method) (pylammpsmpi.wrapper.ase.LammpsASELibrary method) interactive_indices_setter() (pylammpsmpi.LammpsASELibrary method) (pylammpsmpi.wrapper.ase.LammpsASELibrary method)

interactive_lib_command() (pylammpsmpi.LammpsASELibrary method) (pylammpsmpi.wrapper.ase.LammpsASELibrary method) interactive_positions_getter() (pylammpsmpi.LammpsASELibrary method) (pylammpsmpi.wrapper.ase.LammpsASELibrary method) interactive_positions_setter() (pylammpsmpi.LammpsASELibrary method) (pylammpsmpi.wrapper.ase.LammpsASELibrary method) interactive_pressures_getter() (pylammpsmpi.LammpsASELibrary method) (pylammpsmpi.wrapper.ase.LammpsASELibrary method) interactive_steps_getter() (pylammpsmpi.LammpsASELibrary method) (pylammpsmpi.wrapper.ase.LammpsASELibrary method) interactive_stress_getter() (pylammpsmpi.LammpsASELibrary method) (pylammpsmpi.wrapper.ase.LammpsASELibrary method) interactive_structure_setter() (pylammpsmpi.LammpsASELibrary method) (pylammpsmpi.wrapper.ase.LammpsASELibrary method) interactive_temperatures_getter() (pylammpsmpi.LammpsASELibrary method) (pylammpsmpi.wrapper.ase.LammpsASELibrary method) interactive_velocities_getter() (pylammpsmpi.LammpsASELibrary method) (pylammpsmpi.wrapper.ase.LammpsASELibrary method) interactive_volume_getter() (pylammpsmpi.LammpsASELibrary method) (pylammpsmpi.wrapper.ase.LammpsASELibrary method)

L

LammpsASELibrary (class in pylammpsmpi) (class in pylammpsmpi.wrapper.ase) LammpsBase (class in pylammpsmpi) (class in pylammpsmpi.wrapper.base)

LammpsConcurrent (class in pylammpsmpi) (class in pylammpsmpi.wrapper.concurrent) LammpsLibrary (class in pylammpsmpi) (class in pylammpsmpi.wrapper.extended)

M

module pylammpsmpi pylammpsmpi.mpi pylammpsmpi.mpi.lmpmpi pylammpsmpi.wrapper pylammpsmpi.wrapper.ase pylammpsmpi.wrapper.base pylammpsmpi.wrapper.concurrent pylammpsmpi.wrapper.extended

N

natoms (pylammpsmpi.LammpsBase property) (pylammpsmpi.LammpsConcurrent property) (pylammpsmpi.wrapper.base.LammpsBase property) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent property)

P

pylammpsmpi module pylammpsmpi.mpi module pylammpsmpi.mpi.lmpmpi module pylammpsmpi.wrapper module

pylammpsmpi.wrapper.ase module pylammpsmpi.wrapper.base module pylammpsmpi.wrapper.concurrent module pylammpsmpi.wrapper.extended module

R

reset_box() (in module pylammpsmpi.mpi.lmpmpi) (pylammpsmpi.LammpsBase method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.wrapper.base.LammpsBase method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method)

S

scatter_atoms() (in module pylammpsmpi.mpi.lmpmpi) (pylammpsmpi.LammpsBase method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.wrapper.base.LammpsBase method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method) scatter_atoms_subset() (in module pylammpsmpi.mpi.lmpmpi) select_cmd() (in module pylammpsmpi.mpi.lmpmpi) set_fix_external_callback() (in module pylammpsmpi.mpi.lmpmpi) (pylammpsmpi.LammpsASELibrary method) (pylammpsmpi.LammpsBase method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.wrapper.ase.LammpsASELibrary method) (pylammpsmpi.wrapper.base.LammpsBase method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method)

set_selective_dynamics() (in module pylammpsmpi.wrapper.ase) set_variable() (in module pylammpsmpi.mpi.lmpmpi) (pylammpsmpi.LammpsBase method) (pylammpsmpi.LammpsConcurrent method) (pylammpsmpi.wrapper.base.LammpsBase method) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent method) shutdown_lmp() (in module pylammpsmpi.wrapper.concurrent) start_lmp() (in module pylammpsmpi.wrapper.concurrent)

V

version (pylammpsmpi.LammpsBase property) (pylammpsmpi.LammpsConcurrent property) (pylammpsmpi.wrapper.base.LammpsBase property) (pylammpsmpi.wrapper.concurrent.LammpsConcurrent property)