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)