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Updated CHANGELOG. Bumped version.
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coltonbh committed Jun 14, 2024
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5 changes: 4 additions & 1 deletion CHANGELOG.md
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## [unreleased]

## [0.7.2] - 2024-06-13

### Changed

- Updated to `qcio 0.9.3` which properly registers all concrete classes of `ProgramOutput[InputType, ResultsType` on `output.py` module for celery serializers.
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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/0.7.1...HEAD
[unreleased]: https://github.com/mtzgroup/bigchem/compare/0.7.2...HEAD
[0.7.2]: https://github.com/mtzgroup/bigchem/releases/tag/0.7.2
[0.7.1]: https://github.com/mtzgroup/bigchem/releases/tag/0.7.1
[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
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2 changes: 1 addition & 1 deletion pyproject.toml
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[tool.poetry]
name = "bigchem"
version = "0.7.1"
version = "0.7.2"
description = "A distributed system for scaling and parallelizing quantum chemistry calculations"
authors = ["Colton Hicks <[email protected]>"]
readme = "README.md"
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