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fix(serialization): remove monty dependency
Benchmark
#1317:
Pull request
#979
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njzjz
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fix(vasp): report frames dropped for a missing OUTCAR energy
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#1316:
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fix(vasp): warn when POTCAR and POSCAR species order disagree
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#1315:
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fix(lammps): tolerate incomplete and commented dump frames
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#1314:
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njzjz:fix/issue-616
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chore(typing): check nested dpdata packages
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#1313:
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docs(formats): expand generated format reference
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feat(lammps): load selected dump frames efficiently
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#1311:
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docs(formats): expand generated format reference
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docs(skills): expand extxyz format documentation in dpdata-cli skill
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docs(skills): expand extxyz format documentation in dpdata-cli skill
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docs(formats): expand generated format reference
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docs(formats): expand generated format reference
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docs(formats): expand generated format reference
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docs(skills): expand extxyz format documentation in dpdata-cli skill
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chore(deps): bump pypa/gh-action-pypi-publish from 1.14.0 to 1.14.1 (…
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chore(deps): bump actions/setup-python from 6 to 7 (#1043)
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chore(deps): bump actions/setup-python from 6 to 7
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#1301:
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chore(deps): bump actions/setup-python from 6 to 7
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chore(deps): bump pypa/gh-action-pypi-publish from 1.14.0 to 1.14.1
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#1299:
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dependabot/github_actions/pypa/gh-action-pypi-publish-1.14.1
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chore(deps): bump pypa/gh-action-pypi-publish from 1.14.0 to 1.14.1
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feat(lammps): load selected dump frames efficiently
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feat(lammps): load selected dump frames efficiently
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#1296:
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feat(lammps): load selected dump frames efficiently
Benchmark
#1295:
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feat(lammps): load selected dump frames efficiently
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[pre-commit.ci] pre-commit autoupdate (#1038)
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