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Version 1.2.1 "Parsley" Update
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@j-wags j-wags released this 09 Sep 23:53
1.2.1
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This bugfix release manually changes two bond force constants (b24 and b27) to resolve an issue seen in propyne substituents when using hydrogen mass repartitioning with a 4fs timestep. Full details are available at #19 and in the reproduce_propyne_hmr.ipynb notebook in the release assets on GitHub.

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