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deepmodeling / dpdata Public

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feat(extxyz): support stress header, improve robustness and ASE compatibility#983

Merged

njzjz merged 4 commits into

deepmodeling:masterdeepmodeling/dpdata:masterfrom

SchrodingersCattt:feat/enhance-extxyzSchrodingersCattt/dpdata:feat/enhance-extxyzCopy head branch name to clipboard

Jul 2, 2026

Conversation Commits4 (4)Checks Files changed

Merged

feat(extxyz): support stress header, improve robustness and ASE compatibility#983
njzjz merged 4 commits into
deepmodeling:masterfrom
SchrodingersCattt:feat/enhance-extxyz

Commits

Commits on Jun 23, 2026

feat(extxyz): support stress header, improve robustness and ASE compatibility
SchrodingersCattt
committed
style(extxyz): replace unicode chars with ASCII for RUF002 compliance
SchrodingersCattt
committed
refactor(extxyz): extract _FORCE_KEYS constant for consistency with _ENERGY_KEYS
SchrodingersCattt
committed
feat(extxyz): support 'virials'/'stresses' key variants with _VIRIAL_KEYS/_STRESS_KEYS constants
SchrodingersCattt
committed

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