Feat: add polar consistency test #3327

anyangml · 2024-02-23T04:34:51Z

This PR is to add cross framework consistency test on PolarFittingNet.

Note: shift_diag not yet implemented in PT.

for more information, see https://pre-commit.ci

Signed-off-by: Anyang Peng <137014849+anyangml@users.noreply.github.com>

for more information, see https://pre-commit.ci

source/tests/consistent/fitting/test_polar.py

+    @property
+    def skip_pt(self) -> bool:
+        (
+            resnet_dt,


source/tests/consistent/fitting/test_polar.py

+    def skip_pt(self) -> bool:
+        (
+            resnet_dt,
+            precision,


source/tests/consistent/fitting/test_polar.py

+        (
+            resnet_dt,
+            precision,
+            mixed_types,


source/tests/consistent/fitting/test_polar.py

+
+    def build_tf(self, obj: Any, suffix: str) -> Tuple[list, dict]:
+        (
+            resnet_dt,


source/tests/consistent/fitting/test_polar.py

+    def build_tf(self, obj: Any, suffix: str) -> Tuple[list, dict]:
+        (
+            resnet_dt,
+            precision,


source/tests/consistent/fitting/test_polar.py

+    def eval_pt(self, pt_obj: Any) -> Any:
+        (
+            resnet_dt,
+            precision,


source/tests/consistent/fitting/test_polar.py

+        (
+            resnet_dt,
+            precision,
+            mixed_types,


source/tests/consistent/fitting/test_polar.py

+
+    def eval_dp(self, dp_obj: Any) -> Any:
+        (
+            resnet_dt,


source/tests/consistent/fitting/test_polar.py

+    def eval_dp(self, dp_obj: Any) -> Any:
+        (
+            resnet_dt,
+            precision,


source/tests/consistent/fitting/test_polar.py

+        (
+            resnet_dt,
+            precision,
+            mixed_types,


codecov · 2024-02-23T06:17:48Z

Codecov Report

Attention: Patch coverage is 86.20690% with 4 lines in your changes are missing coverage. Please review.

Project coverage is 75.38%. Comparing base (260ef21) to head (f389f73).

Files	Patch %	Lines
deepmd/dpmodel/fitting/polarizability_fitting.py	60.00%	2 Missing ⚠️
deepmd/pt/model/task/polarizability.py	80.00%	1 Missing ⚠️
deepmd/tf/fit/polar.py	94.73%	1 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##            devel    #3327      +/-   ##
==========================================
+ Coverage   75.35%   75.38%   +0.03%     
==========================================
  Files         406      406              
  Lines       34059    34079      +20     
  Branches     1604     1604              
==========================================
+ Hits        25665    25692      +27     
+ Misses       7533     7526       -7     
  Partials      861      861

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deepmd/utils/argcheck.py

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anyangml and others added 30 commits February 22, 2024 11:42

feat: add dipole consistency test

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chore: move atom_ener to energyfitting

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anyangml added 2 commits February 23, 2024 02:31

chore: typo

4c20c10

feat: add polar consistency test

202b48c

github-actions bot added the Python label Feb 23, 2024

anyangml marked this pull request as draft February 23, 2024 04:35

anyangml and others added 3 commits February 23, 2024 14:01

Merge branch 'devel' into feat/polar_consistency_test

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Signed-off-by: Anyang Peng <137014849+anyangml@users.noreply.github.com>

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anyangml commented Feb 23, 2024

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anyangml requested review from njzjz and wanghan-iapcm February 23, 2024 06:27

anyangml marked this pull request as ready for review February 23, 2024 06:27

fix: UTs

1128193

anyangml self-assigned this Feb 23, 2024

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wanghan-iapcm added this pull request to the merge queue Feb 23, 2024

Merged via the queue into deepmodeling:devel with commit 543276a Feb 23, 2024

njzjz mentioned this pull request Apr 2, 2024

[TYPO] #3635

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Feat: add polar consistency test #3327

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anyangml commented Feb 23, 2024 •

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