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consistent energy model #3306

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merged 8 commits into from
Feb 21, 2024

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@njzjz njzjz commented Feb 20, 2024

Many hacking things...

Signed-off-by: Jinzhe Zeng <[email protected]>
Signed-off-by: Jinzhe Zeng <[email protected]>
deepmd/tf/model/model.py Fixed Show fixed Hide fixed
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codecov bot commented Feb 20, 2024

Codecov Report

Attention: 21 lines in your changes are missing coverage. Please review.

Comparison is base (8b1ed14) 75.29% compared to head (83fd5b2) 75.19%.
Report is 2 commits behind head on devel.

Files Patch % Lines
deepmd/tf/model/model.py 72.22% 10 Missing ⚠️
deepmd/tf/fit/fitting.py 72.22% 5 Missing ⚠️
deepmd/pt/utils/utils.py 66.66% 4 Missing ⚠️
deepmd/dpmodel/model/model.py 84.61% 2 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##            devel    #3306      +/-   ##
==========================================
- Coverage   75.29%   75.19%   -0.10%     
==========================================
  Files         398      399       +1     
  Lines       33684    33740      +56     
  Branches     1604     1586      -18     
==========================================
+ Hits        25361    25371      +10     
+ Misses       7462     7454       -8     
- Partials      861      915      +54     

☔ View full report in Codecov by Sentry.
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@njzjz njzjz marked this pull request as draft February 20, 2024 01:21
Signed-off-by: Jinzhe Zeng <[email protected]>
Signed-off-by: Jinzhe Zeng <[email protected]>
@njzjz njzjz marked this pull request as ready for review February 20, 2024 02:28
@njzjz njzjz requested a review from wanghan-iapcm February 21, 2024 04:33
@@ -51,9 +52,19 @@
raise RuntimeError(f"activation function {self.activation} not supported")


@overload
def to_numpy_array(xx: torch.Tensor) -> np.ndarray:
...

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Statement has no effect Note

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@overload
def to_numpy_array(xx: None) -> None:
...

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@@ -67,9 +78,19 @@
return xx.detach().cpu().numpy().astype(prec)


@overload
def to_torch_tensor(xx: np.ndarray) -> torch.Tensor:
...

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Statement has no effect Note

This statement has no effect.

@overload
def to_torch_tensor(xx: None) -> None:
...

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@wanghan-iapcm wanghan-iapcm added this pull request to the merge queue Feb 21, 2024
Merged via the queue into deepmodeling:devel with commit e1c0564 Feb 21, 2024
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@njzjz njzjz mentioned this pull request Apr 2, 2024
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