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gshs12051
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Mar 23, 2026
- Support inferred_atomic_virial across deploy, inference, calculator, and util flows.
- Introduce atomic_stress option in LAMMPS patching for atomic-stress pair sources.
- Maintain backward compatibility when atomic options are disabled.
- Support inferred_atomic_virial across deploy, inference, calculator, and util flows. - Introduce atomic_stress option in LAMMPS patching for atomic-stress pair sources. - Maintain backward compatibility when atomic options are disabled.
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… virial unit regression tests
for more information, see https://pre-commit.ci
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필요없는 부분 삭제하고, 기존 코드와 속도 비교까지 진행했습니다. numatoms = [8, 64, 216, 512, 1000, 1728, 2744, 4096, 5832] Deploy 모델에서 torchscipt input 삭제하는 작업은 일단 allowed_file_types이랑 주석에서만 지워 놨습니다. |
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