pwtools._flib.frac2cart_traj

pwtools._flib.frac2cart_traj = <fortran function frac2cart_traj>

coords = frac2cart_traj(coords_frac,cell,[nstep,natoms])

Wrapper for frac2cart_traj.

Parameters:

• coords_frac (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_frac, 0)

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

Returns:

coords

Return type:

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