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Fix model-devi with mixed_type format#2433

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wanghan-iapcm merged 4 commits intodeepmodeling:develfrom
iProzd:fix_model_devi_mix
May 24, 2023
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Fix model-devi with mixed_type format#2433
wanghan-iapcm merged 4 commits intodeepmodeling:develfrom
iProzd:fix_model_devi_mix

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@iProzd iProzd commented Mar 29, 2023

Fix model-devi with mixed_type format;
Add UTs;
Add detection of whether models support mixed_type inference.

Fix model-devi with mixed_type format;
Add UTs;
Add detection of whether models support mixed_type inference.
@iProzd iProzd requested review from njzjz and wanghan-iapcm March 29, 2023 10:46
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codecov bot commented Mar 29, 2023

Codecov Report

Patch coverage: 93.33% and project coverage change: +0.19 🎉

Comparison is base (0510ab2) 76.61% compared to head (8dcce99) 76.81%.

Additional details and impacted files
@@            Coverage Diff             @@
##            devel    #2433      +/-   ##
==========================================
+ Coverage   76.61%   76.81%   +0.19%     
==========================================
  Files         227      227              
  Lines       23792    23805      +13     
  Branches     1667     1653      -14     
==========================================
+ Hits        18229    18286      +57     
+ Misses       4465     4421      -44     
  Partials     1098     1098              
Impacted Files Coverage Δ
deepmd/infer/deep_pot.py 82.72% <90.00%> (+0.34%) ⬆️
deepmd/infer/model_devi.py 94.79% <100.00%> (+36.72%) ⬆️

... and 4 files with indirect coverage changes

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njzjz added 2 commits May 23, 2023 23:11
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Fix deepmodeling#1708.

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
@njzjz njzjz linked an issue May 24, 2023 that may be closed by this pull request
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Self-approve what I changed...

@wanghan-iapcm wanghan-iapcm merged commit 6e4d32f into deepmodeling:devel May 24, 2023
@njzjz njzjz mentioned this pull request Jun 12, 2023
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wanghan-iapcm pushed a commit that referenced this pull request Jun 26, 2023
This PR sets specific mesh shapes (7 for pbc and 1 for no pbc) for mixed
type.

So when an operator does not throw mixed type, it will throw errors. It
will be more accurate than the implementation in #2433 to check if a
model supports DPRc.

`make_default_mesh` is updated and out-of-date behaviors are removed.

---------

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
@iProzd iProzd deleted the fix_model_devi_mix branch April 24, 2024 09:11
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Unit test for command line model-deviation calculation

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