Skip to content
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.

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

throw errros if rmin is no less than rmax #3393

Merged
merged 9 commits into from
Mar 5, 2024

Conversation

njzjz
Copy link
Member

@njzjz njzjz commented Mar 2, 2024

when rmin==rmax, the previous implementation of compute_smooth_weight will give all nan. In theory, it should not happen.

njzjz added 2 commits March 2, 2024 11:46
when rmin==rmax, the previous implementation of compute_smooth_weight will give all nan. In theory, it should not happen.

Signed-off-by: Jinzhe Zeng <[email protected]>
Signed-off-by: Jinzhe Zeng <[email protected]>
@njzjz njzjz requested a review from wanghan-iapcm March 2, 2024 16:54
@github-actions github-actions bot added the Python label Mar 2, 2024
Copy link

codecov bot commented Mar 2, 2024

Codecov Report

Attention: Patch coverage is 75.00000% with 1 lines in your changes are missing coverage. Please review.

Project coverage is 76.91%. Comparing base (697fde9) to head (bb64fb6).

Files Patch % Lines
deepmd/dpmodel/utils/env_mat.py 50.00% 1 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##            devel    #3393      +/-   ##
==========================================
- Coverage   76.94%   76.91%   -0.03%     
==========================================
  Files         423      423              
  Lines       35874    35878       +4     
  Branches     1620     1620              
==========================================
- Hits        27604    27597       -7     
- Misses       7402     7413      +11     
  Partials      868      868              

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

Copy link
Collaborator

@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.

an error should raise when rcut_smth >= rcut.

@njzjz njzjz marked this pull request as draft March 3, 2024 22:04
@njzjz njzjz changed the title fix compute_smooth_weight nan output throw errros if rmin is no less than rmax Mar 5, 2024
@njzjz njzjz requested a review from wanghan-iapcm March 5, 2024 00:17
@njzjz njzjz marked this pull request as ready for review March 5, 2024 00:17
njzjz added 2 commits March 4, 2024 21:28
Signed-off-by: Jinzhe Zeng <[email protected]>
Signed-off-by: Jinzhe Zeng <[email protected]>
@wanghan-iapcm
Copy link
Collaborator

should be fixed by #3413

@njzjz njzjz enabled auto-merge March 5, 2024 08:05
@njzjz njzjz added this pull request to the merge queue Mar 5, 2024
Merged via the queue into deepmodeling:devel with commit b0171ce Mar 5, 2024
48 checks passed
@njzjz njzjz deleted the dpmodel-fix-nan branch March 5, 2024 20:33
@njzjz njzjz mentioned this pull request Apr 2, 2024
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
Projects
None yet
Development

Successfully merging this pull request may close these issues.

2 participants