Skip to content

feat(pt_expt): add fitting for energy - #5218

Merged
wanghan-iapcm merged 44 commits into
deepmodeling:masterfrom
wanghan-iapcm:feat-fitting
Feb 12, 2026
Merged

feat(pt_expt): add fitting for energy#5218
wanghan-iapcm merged 44 commits into
deepmodeling:masterfrom
wanghan-iapcm:feat-fitting

fix test

d057ca1
Select commit
Loading
Failed to load commit list.
GitHub Advanced Security / CodeQL succeeded Feb 12, 2026 in 4s

80 new alerts

New alerts in code changed by this pull request

  • 1 warning
  • 79 notes

See annotations below for details.

View all branch alerts.

Annotations

Check warning on line 182 in source/tests/pt_expt/fitting/test_fitting_invar_fitting.py

See this annotation in the file changed.

Code scanning / CodeQL

Variable defined multiple times Warning test

This assignment to 'ret0' is unnecessary as it is
redefined
Loading
before this value is used.

Check notice on line 76 in source/tests/pt_expt/fitting/test_fitting_ener_fitting.py

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note test

Variable nnei is not used.

Check notice on line 691 in source/tests/consistent/fitting/test_ener.py

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note test

Variable use_aparam_as_mask is not used.

Check notice on line 691 in source/tests/consistent/fitting/test_ener.py

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note test

Variable numb_aparam is not used.

Check notice on line 690 in source/tests/consistent/fitting/test_ener.py

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note test

Variable default_fparam is not used.

Check notice on line 690 in source/tests/consistent/fitting/test_ener.py

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note test

Variable numb_fparam is not used.

Check notice on line 689 in source/tests/consistent/fitting/test_ener.py

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note test

Variable mixed_types is not used.

Check notice on line 688 in source/tests/consistent/fitting/test_ener.py

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note test

Variable precision is not used.

Check notice on line 687 in source/tests/consistent/fitting/test_ener.py

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note test

Variable resnet_dt is not used.

Check notice on line 665 in source/tests/consistent/fitting/test_ener.py

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note test

Variable atom_ener is not used.

Check notice on line 664 in source/tests/consistent/fitting/test_ener.py

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note test

Variable use_aparam_as_mask is not used.

Check notice on line 664 in source/tests/consistent/fitting/test_ener.py

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note test

Variable numb_aparam is not used.

Check notice on line 663 in source/tests/consistent/fitting/test_ener.py

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note test

Variable default_fparam is not used.

Check notice on line 663 in source/tests/consistent/fitting/test_ener.py

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note test

Variable numb_fparam is not used.

Check notice on line 662 in source/tests/consistent/fitting/test_ener.py

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note test

Variable mixed_types is not used.

Check notice on line 661 in source/tests/consistent/fitting/test_ener.py

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note test

Variable precision is not used.

Check notice on line 660 in source/tests/consistent/fitting/test_ener.py

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note test

Variable resnet_dt is not used.

Check notice on line 648 in source/tests/consistent/fitting/test_ener.py

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note test

Variable atom_ener is not used.

Check notice on line 647 in source/tests/consistent/fitting/test_ener.py

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note test

Variable use_aparam_as_mask is not used.

Check notice on line 647 in source/tests/consistent/fitting/test_ener.py

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note test

Variable numb_aparam is not used.

Check notice on line 646 in source/tests/consistent/fitting/test_ener.py

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note test

Variable default_fparam is not used.

Check notice on line 76 in source/tests/pt_expt/fitting/test_fitting_ener_fitting.py

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note test

Variable nloc is not used.

Check notice on line 76 in source/tests/pt_expt/fitting/test_fitting_ener_fitting.py

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note test

Variable nf is not used.

Check notice on line 786 in source/tests/consistent/fitting/test_ener.py

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note test

Variable use_aparam_as_mask is not used.

Check notice on line 786 in source/tests/consistent/fitting/test_ener.py

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note test

Variable numb_aparam is not used.