Tags: theochem/iodata
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Merge pull request #381 from FanwangM/test-313
Update GitHub Action schema for adding Python 3.13 support.
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Update GitHub Actions versions
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Merge pull request #378 from tovrstra/fchk-ref-energy
Fchk ref energy
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Merge pull request #374 from tovrstra/cli-allow-changes
Add command-line option `--allow-changes` to `iodata-convert`
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Merge pull request #339 from tovrstra/contrib-centralize
Refer to central contributing guide and add code of conduct
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Merge pull request #325 from tovrstra/install-qc-iodata
Update installation instructions
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Merge pull request #274 from tovrstra/fix-pylint-2.9.3
Fix pylint 2.9.3
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Merge pull request #184 from tovrstra/prepare_1.0.0a1
Prepare for 1.0.0a1 release
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Toggle 0.1.7's commit message
fixed bug with occs when nbasis!=nfn_indep
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