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Bumped version to 0.6.3. Updated CHANGELOG.
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coltonbh committed Sep 13, 2024
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5 changes: 4 additions & 1 deletion CHANGELOG.md
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Expand Up @@ -6,6 +6,8 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),

## [unreleased]

## [0.6.3] - 2024-09-12

### Added

- `parse_optimization_dir(...) -> OptimizationResults` for TeraChem.
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- Can return either `AtomicResult` or `FailedOperation` objects depending on whether calculation succeeded or failed.
- Tests for all parsers and the main `parse` function.

[unreleased]: https://github.com/coltonbh/qcparse/compare/0.6.2...HEAD
[unreleased]: https://github.com/coltonbh/qcparse/compare/0.6.3...HEAD
[0.6.3]: https://github.com/coltonbh/qcparse/releases/tag/0.6.3
[0.6.2]: https://github.com/coltonbh/qcparse/releases/tag/0.6.2
[0.6.1]: https://github.com/coltonbh/qcparse/releases/tag/0.6.1
[0.6.0]: https://github.com/coltonbh/qcparse/releases/tag/0.6.0
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2 changes: 1 addition & 1 deletion pyproject.toml
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[tool.poetry]
name = "qcparse"
version = "0.6.2"
version = "0.6.3"
description = "A package for parsing Quantum Chemistry program file outputs into structured qcio data objects."
authors = ["Colton Hicks <github@coltonhicks.com>"]
license = "MIT"
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