Box

class narupatools.lammps.regions.Box(xlo: float, xhi: float, ylo: float, yhi: float, zlo: float, zhi: float)

Specification of an axis-aligned box for a LAMMPS simulation.

Inheritance

Inheritance diagram of Box

Methods

__init__

Initialize self.

bounds

Create a specification for an axis-aligned box for a LAMMPS simulation.

from_size

Create a specification for an axis-aligned box for a LAMMPS simulation.
__init__(xlo: float, xhi: float, ylo: float, yhi: float, zlo: float, zhi: float)

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

classmethod bounds(lower: numpy.ndarray[Any, numpy.dtype[numpy.float64]], upper: numpy.ndarray[Any, numpy.dtype[numpy.float64]]) → narupatools.lammps.regions.Box

Create a specification for an axis-aligned box for a LAMMPS simulation.

Parameters

  • lower – Lower corner (xlo, ylo, zlo).

  • upper – Upper corner (xhi, yhi, zhi).

Returns

Box specification with given bounds.

classmethod from_size(*, size: numpy.ndarray[Any, numpy.dtype[numpy.float64]], center: numpy.ndarray[Any, numpy.dtype[numpy.float64]] = array([0., 0., 0.])) → narupatools.lammps.regions.Box

Create a specification for an axis-aligned box for a LAMMPS simulation.

Parameters

  • size – Box sides in nanometers..

  • center – Box center in nanometers..

Returns

Box specification with given size and center.

Attributes

args

Parameters for the region.

style

Style of the region.
args
style