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Bumped version. Updated CHANGELOG.
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coltonbh committed Apr 24, 2024
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5 changes: 4 additions & 1 deletion CHANGELOG.md
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## [unreleased]

## [0.7.0] - 2024-04-23

### Changed

- Updated to `qcop=^0.6.0` and `qcio=^0.9.0` to use latest Generic data structures including `ProgramOutput[InputType, ResultsType]` as a replacement for all other output models.
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- Initial release of core BigQC feature set. Tasks for `compute` (single point energy, gradient, hessian, and properties calculations) and `compute_procedure` (geometry optimization routine). Algorithms for distributed hessian and normal mode analysis with their associated tasks.

[unreleased]: https://github.com/mtzgroup/bigchem/compare/0.6.9...HEAD
[unreleased]: https://github.com/mtzgroup/bigchem/compare/0.7.0...HEAD
[0.7.0]: https://github.com/mtzgroup/bigchem/releases/tag/0.7.0
[0.6.9]: https://github.com/mtzgroup/bigchem/releases/tag/0.6.9
[0.6.8]: https://github.com/mtzgroup/bigchem/releases/tag/0.6.8
[0.6.7]: https://github.com/mtzgroup/bigchem/releases/tag/0.6.7
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2 changes: 1 addition & 1 deletion pyproject.toml
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[tool.poetry]
name = "bigchem"
version = "0.6.9"
version = "0.7.0"
description = "A distributed system for scaling and parallelizing quantum chemistry calculations"
authors = ["Colton Hicks <[email protected]>"]
readme = "README.md"
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