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Merge branch 'release-0.4.8'
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coltonbh committed Jan 12, 2024
2 parents f2929ff + b438806 commit 4b6f161
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5 changes: 4 additions & 1 deletion CHANGELOG.md
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## [unreleased]

## [0.4.8] - 2024-01-12

### Changed

- `QCEngineError` now a subclass of `ExternalProgramError` instead of `QCOPBaseError`.
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- Created adapter for TeraChem.
- Exposed general purpose computing for any subprocess with `FileAdaptor`

[unreleased]: https://github.com/coltonbh/qcop/compare/0.4.7...HEAD
[unreleased]: https://github.com/coltonbh/qcop/compare/0.4.8...HEAD
[0.4.8]: https://github.com/coltonbh/qcop/releases/tag/0.4.8
[0.4.7]: https://github.com/coltonbh/qcop/releases/tag/0.4.7
[0.4.6]: https://github.com/coltonbh/qcop/releases/tag/0.4.6
[0.4.5]: https://github.com/coltonbh/qcop/releases/tag/0.4.5
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16 changes: 13 additions & 3 deletions poetry.lock

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2 changes: 1 addition & 1 deletion pyproject.toml
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[tool.poetry]
name = "qcop"
version = "0.4.7"
version = "0.4.8"
description = "A package for operating Quantum Chemistry programs using qcio standardized data structures. Compatible with TeraChem, psi4, QChem, NWChem, ORCA, Molpro, geomeTRIC and many more."
authors = ["Colton Hicks <github@coltonhicks.com>"]
license = "MIT"
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