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support combining frozen models into a pairwise DPRc model#2902

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wanghan-iapcm merged 3 commits intodeepmodeling:develfrom
njzjz:dprc_frozen
Oct 7, 2023
Merged

support combining frozen models into a pairwise DPRc model#2902
wanghan-iapcm merged 3 commits intodeepmodeling:develfrom
njzjz:dprc_frozen

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@njzjz njzjz commented Oct 6, 2023

The "frozen" model has been previously supported in #2781, so this PR allows it to be used in the pairwise DPRc model.
Allow QM model type maps to be just the first $N$ type maps of the whole models, as the QM model doesn't need MM types.

One can load two separated models into one model or load the existing QM model and train the rest of the model.

njzjz added 3 commits October 5, 2023 18:52
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
(cherry picked from commit c7f38fee421bf90f779cb84d1ecc7fb9edd69a97)
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
@njzjz njzjz requested a review from wanghan-iapcm October 6, 2023 03:01
@github-actions github-actions bot added the Python label Oct 6, 2023
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codecov bot commented Oct 6, 2023

Codecov Report

Attention: 1 lines in your changes are missing coverage. Please review.

Comparison is base (ba3376b) 75.49% compared to head (ed23f1a) 75.49%.

Additional details and impacted files
@@            Coverage Diff             @@
##            devel    #2902      +/-   ##
==========================================
- Coverage   75.49%   75.49%   -0.01%     
==========================================
  Files         244      244              
  Lines       24569    24571       +2     
  Branches     1580     1580              
==========================================
+ Hits        18548    18549       +1     
- Misses       5090     5091       +1     
  Partials      931      931              
Files Coverage Δ
deepmd/model/pairwise_dprc.py 93.07% <83.33%> (-0.68%) ⬇️

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@wanghan-iapcm wanghan-iapcm merged commit d0edb3a into deepmodeling:devel Oct 7, 2023
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2 participants