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Updated package description. Released 0.3.2
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coltonbh committed Jun 30, 2023
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9 changes: 8 additions & 1 deletion CHANGELOG.md
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Expand Up @@ -8,6 +8,12 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),

## [0.3.1]

### Fixed

- Updated package description in pyproject.toml from TeraChem specific parsing and MolSSI to all QC packages and qcio.

## [0.3.1]

### Added

- Git commit parsing for TeraChem as part of version parsing
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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/0.3.1...HEAD
[unreleased]: https://github.com/coltonbh/qcparse/compare/0.3.2...HEAD
[0.3.2]: https://github.com/coltonbh/qcparse/releases/tag/0.3.2
[0.3.1]: https://github.com/coltonbh/qcparse/releases/tag/0.3.1
[0.3.0]: https://github.com/coltonbh/qcparse/releases/tag/0.3.0
[0.2.1]: https://github.com/coltonbh/qcparse/releases/tag/0.2.1
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4 changes: 2 additions & 2 deletions pyproject.toml
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[tool.poetry]
name = "qcparse"
version = "0.3.1"
description = "A package for parsing TeraChem file outputs into structured MolSSI data objects."
version = "0.3.2"
description = "A package for parsing Quantum Chemistry program file outputs into structured qcio data objects."
authors = ["Colton Hicks <[email protected]>"]
license = "MIT"
readme = "README.md"
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