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handle masked forces in pytorch test entry point#9

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caic99 wants to merge 1 commit into
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codex/update-test_ener-to-handle-masked-forces
Closed

handle masked forces in pytorch test entry point#9
caic99 wants to merge 1 commit into
develfrom
codex/update-test_ener-to-handle-masked-forces

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@caic99 caic99 commented Aug 14, 2025

Summary

  • support atom_pref masks when computing force errors in test_ener
  • add PyTorch unit test for masked forces

Testing

  • pytest source/tests/pt/test_dp_test.py::TestDPTestSeA::test_dp_test_1_frame source/tests/pt/test_dp_test.py::TestDPTestSeASpin::test_dp_test_1_frame source/tests/pt/test_dp_test.py::TestDPTestPropertySeA::test_dp_test_1_frame source/tests/pt/test_dp_test.py::TestDPTestForceMask::test_force_mask -q

https://chatgpt.com/codex/tasks/task_b_689de8068a9c8332aa2a402469da6293

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