tbplas.frac2cart

tbplas.frac2cart(lattice_vectors: ndarray, fractional_coordinates: ndarray, origin: ndarray = array([0., 0., 0.])) ndarray

Convert fractional coordinates to Cartesian coordinates.

Parameters:
  • lattice_vectors – (3, 3) float64 array Cartesian coordinates of lattice vectors

  • fractional_coordinates – (num_coord, 3) float64 array fractional coordinates to convert in basis of lattice vectors

  • origin – (3,) float64 array Cartesian coordinate of lattice origin

Returns:

(num_coord, 3) float64 array Cartesian coordinates converted from fractional coordinates