Index

A

abs_cap() (in module lammps.core) add() (lammps.core.Thermo method) add_ase_structure() (lammps.core.System method) add_pymatgen_structure() (lammps.core.System method) angles (lammps.core.Box attribute)

Atom (class in lammps.core) ATOM_STYLE_PROPERTIES (lammps.core.System attribute) atom_types (lammps.core.System attribute) AtomType (class in lammps.core) AVAILABLE_ATOM_STYLES (lammps.core.System attribute) AVAILABLE_UNITS (lammps.core.Lammps attribute)

B

BIG_INT (lammps.core.LammpsDataTypes attribute) bounds (lammps.core.Box attribute)

Box (class in lammps.core) box (lammps.core.Lammps attribute)

C

charge (lammps.core.Atom attribute) charges (lammps.core.System attribute) check_error() (lammps.core.Lammps method)

command() (lammps.core.Lammps method) Compute (class in lammps.core) computes (lammps.core.Thermo attribute) create_atoms() (lammps.core.System method)

D

dimension (lammps.core.Box attribute)

DOUBLE (lammps.core.LammpsDataTypes attribute) dt (lammps.core.Lammps attribute)

F

file() (lammps.core.Lammps method) force (lammps.core.Atom attribute)

forces (lammps.core.System attribute) from_lattice_const() (lammps.core.Box method)

G

global_gather_property_ordered() (lammps.core.System method) global_gather_property_subset() (lammps.core.System method)

global_gather_property_unordered() (lammps.core.System method) global_scatter_property_ordered() (lammps.core.System method) global_scatter_property_subset() (lammps.core.System method)

I

IMAGE_INT (lammps.core.LammpsDataTypes attribute)

index (lammps.core.AtomType attribute) INT (lammps.core.LammpsDataTypes attribute)

L

Lammps (class in lammps.core) lammps (module) lammps.core (module) lammps_box_to_lattice_const() (in module lammps.core) LammpsAbortError LammpsDataTypes (class in lammps.core)

LammpsError LammpsNormalError lattice_const_to_lammps_box() (in module lammps.core) lengths (lammps.core.Box attribute) lengths_angles (lammps.core.Box attribute) lengths_angles_to_matrix() (in module lammps.core) local_total (lammps.core.System attribute)

M

mass (lammps.core.AtomType attribute)

modify() (lammps.core.Compute method)

N

name (lammps.core.Compute attribute)

O

origin (lammps.core.Box attribute)

P

position (lammps.core.Atom attribute) positions (lammps.core.System attribute)

potential_energy (lammps.core.Thermo attribute) pressure (lammps.core.Thermo attribute)

R

reset() (lammps.core.Lammps method)

run() (lammps.core.Lammps method)

S

scalar (lammps.core.Compute attribute) SMALL_INT (lammps.core.LammpsDataTypes attribute) snapshot() (lammps.core.System method)

style (lammps.core.Compute attribute) (lammps.core.System attribute) System (class in lammps.core) system (lammps.core.Lammps attribute)

T

tag (lammps.core.Atom attribute) TAG_INT (lammps.core.LammpsDataTypes attribute) tags (lammps.core.System attribute) temperature (lammps.core.Thermo attribute) Thermo (class in lammps.core) thermo (lammps.core.Lammps attribute)

tilts (lammps.core.Box attribute) time (lammps.core.Lammps attribute) time_step (lammps.core.Lammps attribute) total (lammps.core.System attribute) transform_cartesian_vector_to_lammps_vector() (in module lammps.core) type (lammps.core.Atom attribute) types (lammps.core.System attribute)

U

units (lammps.core.Lammps attribute)

update_lattice_const() (lammps.core.Box method)

V

vector (lammps.core.Compute attribute) velocities (lammps.core.System attribute)

velocity (lammps.core.Atom attribute) volume (lammps.core.Box attribute)