narupatools.lammps.settings

Hard-coded global settings defined by LAMMPS.

Module Attributes

SizeBigInt	Size of the bigint integer type in bytes.
SizeTagInt	Size of the tagint integer type in bytes
SizeImageInt	Size of the imageint integer type in bytes.
Dimension	Dimension of the system.
IsBoxDefined	Is the simulation box defined?
IsBoxTriclinic	Is the simulation box triclinic?
NumberLocalAtoms	The number of ‘owned’ atoms of the current MPI rank.
NumberGhostAtoms	The number of ‘ghost’ atoms of the current MPI rank.
NumberAllAtoms	The number of ‘ghost’ and ‘owned’ atoms of the current MPI rank.
NumberAtomTypes	The number of atom types.
NumberBondTypes	The number of bond types.
NumberAngleTypes	The number of angle types.
NumberDihedralTypes	The number of dihedral types.
NumberImproperTypes	The number of improper types.
AtomStylesIncludesMolecularTopology	Does the atom style includes molecular topology data?
AtomStylesIncludesCharges	Does the atom style includes point charges?
AtomStylesIncludesDipoles	Does the atom style includes point dipoles?
AtomStylesIncludesPerAtomMasses	Does the atom style includes per-atom masses?
AtomStylesIncludesPerAtomRadii	Does the atom style includes a per-atom radius?
AtomStylesCanRotate	Does the atom style describes extended particles that can rotate?
AtomStylesCanBeEllipsoid	Does the atom style describes extended particles that may be ellipsoidal?
AtomStylesIncludesRotationalVelocities	Does the atom style store per-atom rotational velocities?
AtomStylesIncludesTorques	Does the atom style include per-atom torques?
AtomStylesIncludesAngularMomenta	Does the atom style can store per-atom angular momentum?

Classes

BooleanSetting(key)	Boolean setting that can be obtained from LAMMPS using extract_setting.
Setting(key)	Setting that can be obtained from LAMMPS using extract_setting.