Skip to content

feat: atom_ener in energy fitting#3370

Merged
wanghan-iapcm merged 3 commits intodeepmodeling:develfrom
njzjz:pt-dpmodel-atom-ener
Mar 1, 2024
Merged

feat: atom_ener in energy fitting#3370
wanghan-iapcm merged 3 commits intodeepmodeling:develfrom
njzjz:pt-dpmodel-atom-ener

Conversation

@njzjz
Copy link
Copy Markdown
Member

@njzjz njzjz commented Mar 1, 2024

Also, fix the TF serialization issue (it tried to store a tensor instead of a NumPy array).

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
@github-actions github-actions Bot added the Python label Mar 1, 2024
@njzjz njzjz requested a review from wanghan-iapcm March 1, 2024 01:55
precision,
mixed_types,
numb_fparam,
atom_ener,

Check notice

Code scanning / CodeQL

Unused local variable

Variable atom_ener is not used.
@codecov
Copy link
Copy Markdown

codecov Bot commented Mar 1, 2024

Codecov Report

Attention: Patch coverage is 96.42857% with 1 lines in your changes are missing coverage. Please review.

Project coverage is 76.08%. Comparing base (54efc03) to head (2d501d9).

Files Patch % Lines
deepmd/dpmodel/fitting/general_fitting.py 92.30% 1 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##            devel    #3370      +/-   ##
==========================================
+ Coverage   76.06%   76.08%   +0.02%     
==========================================
  Files         421      421              
  Lines       35514    35540      +26     
  Branches     1618     1618              
==========================================
+ Hits        27013    27040      +27     
+ Misses       7633     7632       -1     
  Partials      868      868              

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

@njzjz njzjz mentioned this pull request Mar 1, 2024
@njzjz njzjz marked this pull request as draft March 1, 2024 02:36
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
@njzjz njzjz marked this pull request as ready for review March 1, 2024 02:41
Comment thread deepmd/dpmodel/fitting/general_fitting.py
Comment thread deepmd/dpmodel/fitting/general_fitting.py Outdated
Comment thread deepmd/pt/model/task/fitting.py Outdated
Co-authored-by: Han Wang <92130845+wanghan-iapcm@users.noreply.github.com>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
@wanghan-iapcm wanghan-iapcm enabled auto-merge March 1, 2024 06:32
@wanghan-iapcm wanghan-iapcm added this pull request to the merge queue Mar 1, 2024
Merged via the queue into deepmodeling:devel with commit f684be8 Mar 1, 2024
github-merge-queue Bot pushed a commit that referenced this pull request Mar 1, 2024
It should be merged after #3370.

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
@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.

3 participants