Ebcc

Latest version: v1.6.1

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1.6.1

What's Changed
* Adds a custom Davidson solver
* Fix package discovery
* Amplitude to CI vector conversion
* Small bug fixes

Wheels for v1.6.0 are broken and should be fixed by this release.


**Full Changelog**: https://github.com/BoothGroup/ebcc/compare/v1.6.0...v1.6.1

1.6.0

What's Changed
* Optimises EOM and adds more EOM coverage and some left-hand versions
* Adds MP2 DMs
* Adds more examples
* Adds tutorial notebooks
* Fixes `numpy` static typing
* Adds switchable `numpy` backends, (i.e. `jax`, `cupy`, `tensorflow`) with coverage of some core functionality. Also ensures compatibility with `pyscfad` with `jax` backends (see tutorials).
* Improves DIIS implementation
* Optimises CCSDt'
* Refactors `ham` module, removes `array` attribute in Hamiltonian classes
* Adds externally corrected and tailored coupled cluster


**Full Changelog**: https://github.com/BoothGroup/ebcc/compare/v1.5.0...v1.6.0

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

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