DPGEN with constrained structures (new)#892
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ShaneLogic wants to merge 1 commit intodeepmodeling:develfrom
Open
DPGEN with constrained structures (new)#892ShaneLogic wants to merge 1 commit intodeepmodeling:develfrom
ShaneLogic wants to merge 1 commit intodeepmodeling:develfrom
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To generate the constrained surface models proposed at discussion [deepmodeling#877](deepmodeling#877) Co-Authored-By: Cyanbeacon <86344464+Cyanbeacon@users.noreply.github.com>
wanghan-iapcm
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Aug 20, 2022
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wanghan-iapcm
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Thank you very much for the nice contribution. Could you please:
- explanation how to use the atom constrain in the document
- an illustrative example would be welcome
- add UTs that make sure the code is working in an expected way.
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To generate the constrained surface models proposed at discussion #877
Co-Authored-By: Cyanbeacon 86344464+Cyanbeacon@users.noreply.github.com