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Docs: feature Grimme qRRHO + cutoff in API examples Tests #64: Commit 77b7f09 pushed by bobbypaton
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Parse NWChem 7.x "Spin multiplicity:" runtime line Tests #63: Commit ae99c64 pushed by bobbypaton
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Coerce freq_scale_factor to float to prevent float32 underflow Tests #62: Commit fe7d4cc pushed by bobbypaton
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Update golden values for Gaussian rotational-temperature precision fix Tests #61: Commit 682cc57 pushed by bobbypaton
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Fix read_initial IndexError on bare scrf keyword Tests #60: Commit e9bb86a pushed by bobbypaton
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Fix --check crashes on non-Gaussian outputs Tests #59: Commit f85163a pushed by bobbypaton
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v4.3.0 Publish to PyPI #3: Release v4.3.0 published by bobbypaton
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Graph Update: uv in /. #1369945827 Dependency Graph #7: by dependabot Bot
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Bump version to 4.3.0 Tests #58: Commit 1d5cb41 pushed by bobbypaton
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Add cookbook recipe for --export/--import re-analysis workflow Tests #57: Commit 97a33ed pushed by bobbypaton
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Fix --spc CPU time accounting Tests #56: Commit d89d4d9 pushed by bobbypaton
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Deleted some files from the repository. Tests #55: Commit ad62e01 pushed by bobbypaton
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Fix --spc to require exact suffix match Tests #54: Commit 52d5f4c pushed by bobbypaton
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Add msRRHO entropy benchmark vs NIST experimental S° Tests #53: Commit 4331d01 pushed by bobbypaton
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--label patterns now match against parent dir basename too Tests #52: Commit 1cf01c0 pushed by bobbypaton
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Re-run DA_exo_14_ii fixture (now terminates normally) Tests #51: Commit b00b81c pushed by bobbypaton
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Graph Update: uv in /. #1345565022 Dependency Graph #6: by dependabot Bot
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Simplify strip plot to bare scatter; tighten default figure shape Tests #50: Commit 72cae35 pushed by bobbypaton
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v4.2.0 Publish to PyPI #2: Release v4.2.0 published by bobbypaton
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Publish to PyPI Publish to PyPI #1: Manually run by bobbypaton
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Add workflow_dispatch to publish workflow Tests #49: Commit 1131909 pushed by bobbypaton
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Graph Update: uv in /. #1345321847 Dependency Graph #5: by dependabot Bot
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Release prep for v4.2.0: conda recipe, Download URL, PyPI publish wor… Tests #48: Commit 67fbd71 pushed by bobbypaton
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Refresh README Example 2 values for the split zpe_fac/harm_fac scaling Tests #47: Commit d0165df pushed by bobbypaton
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Add cookbook page with task-oriented v4.x recipes Tests #46: Commit 4b91b47 pushed by bobbypaton
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