Ebcc

Latest version: v1.5.0

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1.5.0

What's Changed
* Restructure package into modules
* Add static typing via `mypy`
* Docstring improvements and now Google format
* Refactor EOM to use `Namespace` instead of hardcoded doubles
* IP and EA-EOM-RCCSD
* Remove moments
* Documentation now tracks `master`
* Updates to `README`
* Generated code is now synced with new boostrap files on `bootstrap`


**Full Changelog**: https://github.com/BoothGroup/ebcc/compare/v1.4.5...v1.5.0

1.4.5

What's Changed
* Adds citation file


**Full Changelog**: https://github.com/BoothGroup/ebcc/compare/v1.4.4...v1.4.5

1.4.4

What's Changed
* Adds frozen natural orbitals
* Logging improvements
* Adds `optimize=True` to `einsum` fallback
* Removes buggy CCSDt
* Fixes energy for DFT reference


**Full Changelog**: https://github.com/BoothGroup/ebcc/compare/v1.4.3...v1.4.4

1.4.3

* Fix for open-shell Brueckner orbital self-consistency
* Fixes for single precision unrestricted density fitting
* Fix for Brueckner self-consistency rotation matrix



**Full Changelog**: https://github.com/BoothGroup/ebcc/compare/v1.4.2...v1.4.3

1.4.2

What's Changed
* Fix `pyscf.tblis_einsum` import


**Full Changelog**: https://github.com/BoothGroup/ebcc/compare/v1.4.1...v1.4.2

1.4.1

What's Changed
* Adds ansatzes optimised specifically for density fitting
* Adds single- and mixed-precision support
* Adds CCSDt
* CCSD(T) optimisations


**Full Changelog**: https://github.com/BoothGroup/ebcc/compare/v1.4.0...v1.4.1

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