Ebcc

Latest version: v1.4.3

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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

1.3.0

What's Changed
* Adds CCSDt', where the T3 amplitudes have all indices in an active space.
* Fixes the conversion between spin types in cases where there are frozen or active orbitals.
* Changes to the internals of the `Ansatz` class to improve generalisability.
* Improves the `Space` interface and internals.


**Full Changelog**: https://github.com/BoothGroup/ebcc/compare/v1.2.2...v1.3.0

1.2.2

What's Changed
* Change from TestPyPI to PyPI
* Freeze SciPy to <=1.10.0 until dependency bug fixes
* Fix flaky BCCD test

This release triggers the first version published on PyPI.


**Full Changelog**: https://github.com/BoothGroup/ebcc/compare/v1.2.1...v1.2.2

1.2.1

What's Changed
* Degenerate spin permutation simplifications
* Disable 3.7 tests, add 3.10 and 3.11
* Changes to einsum
* Support for saving and loading calculations

This release also triggers publishing, for now on TestPyPI.


**Full Changelog**: https://github.com/BoothGroup/ebcc/compare/v1.1.0...v1.2.1

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