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Reference LatticeMatrix

LatticeMatrix

LatticeMatrix(constant, vector_1, vector_2, vector_3)

Dataclass which contains the unit cell information needed for ABCMolecule object.

Parameters:

  • constant (float) –

    Lattice constant.

  • vector_1 ([float, float, float]) –

    List of float numbers of length 3 containing the first vector of lattice matrix.

  • vector_2 ([float, float, float]) –

    List of float numbers of length 3 containing the second vector of lattice matrix.

  • vector_3 ([float, float, float]) –

    List of float numbers of length 3 containing the third vector of lattice matrix.

Fields

a: float Sidelength a of unitcell.

b: float Sidelength b of unitcell.

c: float Sidelength c of unitcell.

alp: float Angle alpha of unitcell in radians.

bet: float Angle beta of unitcell in radians.

gam: float Angle gamma of unitcell in radians.

volume: float Total Volume of unitcell in Angstroms cubed.

Returns:

  • LatticeMatrix –

    LatticeMatrix object which contains the unit cell information needed for ABCMolecule object.