pwtools._flib.cart2frac_traj

pwtools._flib.cart2frac_traj = <fortran function cart2frac_traj>

coords_frac = cart2frac_traj(coords,cell,[nstep,natoms])

Wrapper for cart2frac_traj.

Parameters:

• coords (input rank-3 array('d') with bounds (nstep,natoms,3)) –

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

• nstep (input int, optional) – Default: shape(coords, 0)

• natoms (input int, optional) – Default: shape(coords, 1)

Returns:

coords_frac

Return type:

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