BUG: fix bugs for DislocationCore test-driver #43
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-Fork MD++ from our pinned commmit, with Nicolas' fix for added atoms defining their species -Fix UnboundLocalError in convergence
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-Fork MD++ from our pinned commmit, with Nicolas' fix for added atoms defining their species
-Fix UnboundLocalError in convergence
I've run this against models from many drivers, and never seen the infinite loop behavior that had been there before, I think this bugfix to the environment for DislocationCore is ready to merge into the KDP.