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Bumped version to 0.11.6. Updated CHANGELOG.
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coltonbh committed Jul 26, 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]

## [0.11.6] - 2024-07-26

### Added

- `Structures.to_smiles` now correctly adds charge information the the SMILES using `rdkit` or `openbabel`.
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- `SinglePointComputedProperties`
- `Wavefunction`
[unreleased]: https://github.com/coltonbh/qcio/compare/0.11.5...HEAD
[unreleased]: https://github.com/coltonbh/qcio/compare/0.11.6...HEAD
[0.11.6]: https://github.com/coltonbh/qcio/releases/tag/0.11.6
[0.11.5]: https://github.com/coltonbh/qcio/releases/tag/0.11.5
[0.11.4]: https://github.com/coltonbh/qcio/releases/tag/0.11.4
[0.11.3]: https://github.com/coltonbh/qcio/releases/tag/0.11.3
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2 changes: 1 addition & 1 deletion pyproject.toml
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Expand Up @@ -4,7 +4,7 @@ build-backend = "poetry.core.masonry.api"

[tool.poetry]
name = "qcio"
version = "0.11.5"
version = "0.11.6"
description = "Beautiful and user friendly data structures for quantum chemistry."
authors = ["Colton Hicks <[email protected]>"]
license = "MIT"
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