[Evaluator] Support gradients of handler attributes #237
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leeping
approved these changes
Aug 25, 2021
|
I've merged in changes to support BOTH the new OpenMM (>=7.6) namespace and the old (<7.6) namespace to get tests passing. |
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Description
This PR updates the OpenFF Evaluator target so that it can correctly handle optimising handler attributes (e.g. the 1-4 scaling factor or the alpha, beta parameters of the double exponential handler)