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add numb_fparam argument to property fitting #4396

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github-actions bot opened this issue Nov 21, 2024 · 2 comments · Fixed by #4405
Closed

add numb_fparam argument to property fitting #4396

github-actions bot opened this issue Nov 21, 2024 · 2 comments · Fixed by #4405
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branch: devel lang: py solved todo comment type: todo

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Line: 60

deepmd-kit/source/tests/consistent/model/test_property.py

Lines 57 to 67 in e7925f3

"type": "property",
"neuron": [4, 4, 4],
"resnet_dt": True,
# TODO: add numb_fparam argument to property fitting
"_numb_fparam": 0,
"precision": "float64",
"seed": 1,
},
}
tf_class = None

@njzjz
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njzjz commented Nov 22, 2024

I found property does have numb_fparam and numb_aparam.

@njzjz njzjz added the solved label Nov 22, 2024
njzjz added a commit to njzjz/deepmd-kit that referenced this issue Nov 22, 2024
@njzjz
fix: add numb_fparam & numb_aparam to dipole & polar fitting
42e9f98 
Fix deepmodeling#4396. Fix deepmodeling#4397. Fix deepmodeling#4398. Throw errors for TF.

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
@njzjz njzjz mentioned this issue Nov 22, 2024
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@njzjz njzjz linked a pull request Nov 22, 2024 that will close this issue
fix: add numb_fparam & numb_aparam to dipole & polar fitting #4405
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github-merge-queue bot pushed a commit that referenced this issue Nov 23, 2024
@njzjz @Copilot
fix: add numb_fparam & numb_aparam to dipole & polar fitting (#4405)
2ce3276 
Fix #4396. Fix #4397. Fix #4398. Throw errors for TF.

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

## Release Notes

- **New Features**
- Introduced new parameters `numb_fparam` and `numb_aparam` for improved
fitting configurations in both dipole and polar fitting classes.
- Added methods to retrieve the values of the new parameters and
enhanced input requirement management.

- **Documentation**
- Updated training documentation to clarify the handling of new
parameters and their limitations in the TensorFlow backend.

- **Bug Fixes**
- Updated test configurations to reflect the new parameter structure,
ensuring consistency across tests for dipole and polar models.
<!-- end of auto-generated comment: release notes by coderabbit.ai -->

---------

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
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Closed in commit 2ce3276

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fix: add numb_fparam & numb_aparam to dipole & polar fitting njzjz/deepmd-kit
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