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add model files for globalpolar and WFC #3561

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github-actions bot opened this issue Mar 19, 2024 · 1 comment · Fixed by #3834
Closed

add model files for globalpolar and WFC #3561

github-actions bot opened this issue Mar 19, 2024 · 1 comment · Fixed by #3834
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branch: devel todo comment type: todo

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dp = DeepPotential(self.work_dir / "deep_globalpolar.pb")
self.assertIsInstance(
dp, DeepGlobalPolar, msg.format(DeepGlobalPolar, type(dp))

Line: 65

deepmd-kit//source/tests/tf/test_get_potential.py

Lines 62 to 72 in 76371ce

dp = DeepPotential(self.work_dir / "deep_pot.pb")
self.assertIsInstance(dp, DeepPot, msg.format(DeepPot, type(dp)))
# TODO add model files for globalpolar and WFC
# dp = DeepPotential(self.work_dir / "deep_globalpolar.pb")
# self.assertIsInstance(
# dp, DeepGlobalPolar, msg.format(DeepGlobalPolar, type(dp))
# )
# dp = DeepPotential(self.work_dir / "deep_wfc.pb")
# self.assertIsInstance(dp, DeepWFC, msg.format(DeepWFC, type(dp)))

njzjz added a commit to njzjz/deepmd-kit that referenced this issue May 28, 2024
@njzjz
fix: fix DeepGlobalPolar and DeepWFC initlization
14d9364 
Fix deepmodeling#3561. Fix deepmodeling#3562.

Not sure if some one uses them, but it's good to keep compatibility.

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
@njzjz njzjz mentioned this issue May 28, 2024
Merged
@njzjz njzjz linked a pull request May 28, 2024 that will close this issue
fix: fix DeepGlobalPolar and DeepWFC initlization #3834
Merged
github-merge-queue bot pushed a commit that referenced this issue May 30, 2024
@njzjz @wanghan-iapcm
fix: fix DeepGlobalPolar and DeepWFC initlization (#3834)
710cad3 
Fix #3561. Fix #3562.

Not sure if some one uses them, but it's good to keep compatibility.

<!-- This is an auto-generated comment: release notes by coderabbit.ai
-->

## Summary by CodeRabbit

- **New Features**
- Introduced support for "global_polar" and "wfc" mappings in evaluation
backend.
- Added `output_def` property to define model output for
`DeepGlobalPolar` and `DeepWFC` classes.

- **Bug Fixes**
- Updated test setup to create temporary model files for
`DeepGlobalPolar` and `DeepWFC`.

- **Refactor**
- `DeepGlobalPolar` and `DeepWFC` classes now inherit from
`OldDeepTensor` for better structure and functionality.

- **Tests**
- Enhanced test coverage to include instantiation checks for
`DeepGlobalPolar` and `DeepWFC` objects.

<!-- end of auto-generated comment: release notes by coderabbit.ai -->

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Co-authored-by: Han Wang <92130845+wanghan-iapcm@users.noreply.github.com>
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Closed in commit 710cad3

mtaillefumier pushed a commit to mtaillefumier/deepmd-kit that referenced this issue Sep 18, 2024
@njzjz @wanghan-iapcm
fix: fix DeepGlobalPolar and DeepWFC initlization (deepmodeling#3834)
a300211 
Fix deepmodeling#3561. Fix deepmodeling#3562.

Not sure if some one uses them, but it's good to keep compatibility.

<!-- This is an auto-generated comment: release notes by coderabbit.ai
-->

## Summary by CodeRabbit

- **New Features**
- Introduced support for "global_polar" and "wfc" mappings in evaluation
backend.
- Added `output_def` property to define model output for
`DeepGlobalPolar` and `DeepWFC` classes.

- **Bug Fixes**
- Updated test setup to create temporary model files for
`DeepGlobalPolar` and `DeepWFC`.

- **Refactor**
- `DeepGlobalPolar` and `DeepWFC` classes now inherit from
`OldDeepTensor` for better structure and functionality.

- **Tests**
- Enhanced test coverage to include instantiation checks for
`DeepGlobalPolar` and `DeepWFC` objects.

<!-- end of auto-generated comment: release notes by coderabbit.ai -->

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Co-authored-by: Han Wang <92130845+wanghan-iapcm@users.noreply.github.com>
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fix: fix DeepGlobalPolar and DeepWFC initlization njzjz/deepmd-kit
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