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[pre-commit.ci] pre-commit autoupdate (#1053)
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#1356:
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fix(cp2k): say what is missing from an AIMD output directory (#1049)
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fix(vasp): read every frame of an ML-only OUTCAR (#1048)
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fix(vasp): report frames dropped for a missing OUTCAR energy (#1047)
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fix(vasp): warn when POTCAR and POSCAR species order disagree (#1046)
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fix(qe): honor angstrom cells without cel files (#1029)
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chore(deps): bump CodSpeedHQ/action from 4 to 5
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chore(deps): bump CodSpeedHQ/action from 4 to 5
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[pre-commit.ci] pre-commit autoupdate
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[pre-commit.ci] pre-commit autoupdate
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fix(vasp): warn when POTCAR and POSCAR species order disagree
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chore(deps): bump pypa/gh-action-pypi-publish from 1.14.1 to 1.14.2
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chore(deps): bump pypa/gh-action-pypi-publish from 1.14.1 to 1.14.2
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[pre-commit.ci] pre-commit autoupdate
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[pre-commit.ci] pre-commit autoupdate
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fix(deepmd): expose unlabeled mixed-system loading (#1033)
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fix(system): isolate sliced system metadata (#1014)
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feat(lammps): load selected dump frames efficiently (#1041)
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chore(deps): bump CodSpeedHQ/action from 4 to 4.19.1
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refactor(lmdb): rename format to deepmd/lmdb (#1051)
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fix(serialization): remove monty dependency
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