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BUG: Read energy, coordinates and forces if the structure is updated

Ivan Kondov requested to merge ikondov/ase:master into master

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

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