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BUG: fix bugs for DislocationCore test-driver#43

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ilia-nikiforov-umn merged 1 commit intomainfrom
DislocationCore_Bugfix
Feb 5, 2026
Merged

BUG: fix bugs for DislocationCore test-driver#43
ilia-nikiforov-umn merged 1 commit intomainfrom
DislocationCore_Bugfix

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@ClaireWaters
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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.

-Fork MD++ from our pinned commmit, with Nicolas' fix for added atoms
defining their species
-Fix UnboundLocalError in convergence
@ilia-nikiforov-umn ilia-nikiforov-umn merged commit f673264 into main Feb 5, 2026
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@ilia-nikiforov-umn ilia-nikiforov-umn deleted the DislocationCore_Bugfix branch February 5, 2026 21:43
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2 participants