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Updated CHANGELOG. Bumped version 0.3.2 -> 0.4.0
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coltonbh committed Jul 19, 2023
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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]

## [0.4.0]

### Changed

- Updated to used `qcio>=0.3.0` flattened models and the `SinglePointResults`object.
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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/0.3.2...HEAD
[unreleased]: https://github.com/coltonbh/qcparse/compare/0.4.0...HEAD
[0.4.0]: https://github.com/coltonbh/qcparse/releases/tag/0.4.0
[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
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3 changes: 0 additions & 3 deletions fake.py

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2 changes: 1 addition & 1 deletion pyproject.toml
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[tool.poetry]
name = "qcparse"
version = "0.3.2"
version = "0.4.0"
description = "A package for parsing Quantum Chemistry program file outputs into structured qcio data objects."
authors = ["Colton Hicks <[email protected]>"]
license = "MIT"
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