Skip to content

DPGEN with constrained structures (new) #892

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom
Open
wants to merge 1 commit into
base: devel
Choose a base branch
from
Open

DPGEN with constrained structures (new) #892

wants to merge 1 commit into from

Conversation

ShaneLogic
Copy link

To generate the constrained surface models proposed at discussion #877

Co-Authored-By: Cyanbeacon [email protected]

@ShaneLogic @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
View reviewed changes
Copy link
Contributor

@wanghan-iapcm wanghan-iapcm left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

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.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Reviewers

@wanghan-iapcm wanghan-iapcm wanghan-iapcm requested changes

Requested changes must be addressed to merge this pull request.

Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

Successfully merging this pull request may close these issues.
2 participants
@ShaneLogic @wanghan-iapcm