ComputeGlobalStyle

class narupatools.lammps.computes.ComputeGlobalStyle(style_id: str, dimension: narupatools.lammps._constants.VariableDimension)

Definition of a LAMMPS compute style.

Inheritance

Inheritance diagram of ComputeGlobalStyle

Methods

__init__

Initialize self.

create

Create a new compute using this style.

define

Define a compute style used by LAMMPS.

__init__(style_id: str, dimension: narupatools.lammps._constants.VariableDimension)

Initialize self. See help(type(self)) for accurate signature.

create(lammps: narupatools.lammps._wrapper.LAMMPSWrapper, compute_id: str)narupatools.lammps.computes.ComputeReference[_TReturnType]

Create a new compute using this style.

classmethod define(compute_style: str, dimension: Literal[<VariableDimension.SCALAR: 0>])narupatools.lammps.computes.ComputeGlobalStyle[float]
classmethod define(compute_style: str, dimension: Literal[<VariableDimension.VECTOR1D: 1>, <VariableDimension.ARRAY2D: 2>])narupatools.lammps.computes.ComputeGlobalStyle[numpy.ndarray[Any, numpy.dtype[numpy.float64]]]
classmethod define(compute_style: str, dimension: narupatools.lammps._constants.VariableDimension)Union[narupatools.lammps.computes.ComputeGlobalStyle[numpy.ndarray[Any, numpy.dtype[numpy.float64]]], narupatools.lammps.computes.ComputeGlobalStyle[float]]

Define a compute style used by LAMMPS.