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openforcefield/openforcefield: 0.8.3 Major bugfix release

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 08 Jan 2021Publisher:Zenodo
Authors: Wagner, Jeff; Mobley, David L.; Thompson, Matt; Bannan, Caitlin; Chodera, John; Rizzi, Andrea; Trevorgokey; +13 Authors

doi: 10.5281/zenodo.4429313

openforcefield/openforcefield: 0.8.3 Major bugfix release

Abstract

0.8.3 Major bugfix release This release fixes a critical bug in van der Waals parameter assignment. For more details see #809. For the complete release notes, please see our documentation Bugfixes PR #808: Fixes Issue #807, which tracks a major bug in the interconversion between a vdW sigma and rmin_half parameter. New features PR #794: Adds a decorator @requires_package that denotes a function requires an optional dependency. PR #805: Adds a deprecation warning for the up-coming release of the openff-toolkit package and its import breaking changes. For help getting the OpenFF Toolkit running, see our installation instructions. Please report bugs, request features, or ask questions through our issue tracker. Please note that there may still be some changes to the API prior to a stable 1.0.0 release.

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popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
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influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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