BUG: Read energy, coordinates and forces if the structure is updated
Read the energy, coordinates and forces consistent with the updated structure from nwchem output file if the task is 'optimize'. See ase-users: https://listserv.fysik.dtu.dk/pipermail/ase-users/2016-October/003187.html https://listserv.fysik.dtu.dk/pipermail/ase-users/2016-November/003241.html