Posted by Joćo on January 03, 2013 at 17:50:38:
Is there a way to prevent SLAPAF from running the last_energy module? I do want to obtain the energy of the optimized geometry but I also want to obtain the ESPF charges, so I need to run ESPF with EXTERNAL NONE after SEWARD, when SLAPAF finishes. I don't want/need to run ESPF for every optimization step, and calling last_energy only to repeat the same calculation with ESPF is a waste.
Thank you for any suggestions.
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