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Bugfix release: Compatibility with openforcefield toolkit 0.7.0 and auto-detection of installed openforcefield force fields
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@jchodera jchodera released this 16 Jun 03:20
0.7.3
32a6dea
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Bugfixes

  • (PR #119) Handle None partial charges in openforcefield Molecule objects (needed in openforcefield toolkit 0.7.0)

Features

  • (PR #120) Auto-detect installed SMIRNOFF force fields
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