pwtools._flib.frac2cart

pwtools._flib.frac2cart = <fortran function frac2cart>

coords = frac2cart(coords_frac,cell,[natoms])

Wrapper for frac2cart.

Parameters:

• coords_frac (input rank-2 array('d') with bounds (natoms,3)) –

• cell (input rank-2 array('d') with bounds (3,3)) –

• natoms (input int, optional) – Default: shape(coords_frac, 0)

Returns:

coords

Return type:

rank-2 array(‘d’) with bounds (natoms,3)