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TorsionProfile target needs a feature for user-input torsion indices #154

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leeping opened this issue Aug 3, 2019 · 0 comments
Open

TorsionProfile target needs a feature for user-input torsion indices #154

leeping opened this issue Aug 3, 2019 · 0 comments

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@leeping
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leeping commented Aug 3, 2019

To improve usability, the TorsionProfile target should be able to take user-supplied indices for the torsion atom indices rather than requiring metadata.json from QCArchive. I'll do this at some point.
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