Releases: BoothGroup/ebcc
Releases · BoothGroup/ebcc
v1.2.1
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: v1.1.0...v1.2.1
v1.2.0
What's Changed
- Adds CCD (R, U, G)
- Adds QCISD (R, U, G)
- Adds CCSDTQ (g)
- Adds Brueckner orbital self-consistency
- Optimises CC2, CCSD(T) codes
v1.1.0
What's Changed
- Active, inactive and frozen spaces now supported
- Improved ansatz input syntax
- Optimisations to CCSD, CC2 and CC3
ebcc v1.0.0
Initial release of ebcc
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