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)