Add support for ACE in assyst tools #160
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Rewrite also a good chunk of the MTP submission. Can now use much better (data informed) guesses for the runtime requirements. The analysis part of the learn module was also rewritten to take care of both potential models.
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Rewrite also a good chunk of the MTP submission. Can now use much better (data informed) guesses for the runtime requirements.
The analysis part of the learn module was also rewritten to take care of both potential models.
Adds a method to Pacemaker jobs to plot the pair interaction around inner cutoff to check repulsion issues. @HaithamGaafer Maybe that's interesting to you at some point.