A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters.
GNU Lesser General Public License v3.0
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ENH: Added a new `unit` field to the `param_metadata` dataset #187
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BvB93 closed 3 years ago
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91.74% <ø> (ø)
82.81% <100.00%> (+0.38%)
91.77% <100.00%> (+0.17%)
80.12% <100.00%> (+0.06%)
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