| 5:05:45 AM PDT - Thu, Mar 13th 2014 |
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Dear all,
I was wondering whether its possible to write the output of a geometry optimisation (animation and energies) to a .ecce file from a restart? That is, if you run a geometry optimisaiton in nwchem and it crashes/does not complete, I then go and restart the calculation and finish it, but in doing so I seem to loose the ability to see the whole process in a .ecce output form. Importing the .ecce generated from a restart geometry optimisation only shows the intial coordinates.
Regards,
Ben Lowe
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