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This repository has been archived by the owner on Oct 16, 2019. It is now read-only.

OpenFF "parsley" 1.0.0-RC2: Fitting Valence with QM Data

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@yudongqiu yudongqiu released this 09 Oct 18:39
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Description

The content of this release is the same as the stage-1 fitting of the previous Release 1.0 RC1. link
We decided to use this version as it has a better performance in QM fitting and benchmarks. link
The benchmarks on the physical properties also suggested the use of the original LJ parameters.

Details will be shown in the blog post.