radtools.Cell.primitive

radtools.Cell.primitive(cell, atoms)

Compute primitive cell.

Added in version ???.

Parameters:

cell(3, 3) array-like

Cell matrix, rows are interpreted as vectors.

atomslist of Atom

Atoms in the cell. position attribute of the atom is interpreted as relative position in the cell.

Returns:

primitive_cell(3, 3) numpy.ndarray

Primitive cell matrix, rows are interpreted as vectors.

primitive_atomslist of Atom

Atoms in the primitive cell. position attribute of the atom is interpreted as relative position in the primitive cell.