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DPGEN with constrained structures (new) #892

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To generate the constrained surface models proposed at discussion #877

Co-Authored-By: Cyanbeacon [email protected]

@SwiftChen97 @Cyanbeacon
DPGEN with constrained structures (new)
5a5709d 
To generate the constrained surface models proposed at discussion [deepmodeling#877](deepmodeling#877)

Co-Authored-By: Cyanbeacon <[email protected]>
wanghan-iapcm
wanghan-iapcm requested changes Aug 20, 2022
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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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@wanghan-iapcm wanghan-iapcm wanghan-iapcm requested changes

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@SwiftChen97 @wanghan-iapcm