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Releases: BoothGroup/ebcc

v1.2.1

26 Jun 08:45
7abd642
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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

03 Mar 11:17
7c63e57
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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

15 Feb 16:58
7c63e57
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What's Changed

  • Active, inactive and frozen spaces now supported
  • Improved ansatz input syntax
  • Optimisations to CCSD, CC2 and CC3

ebcc v1.0.0

28 Jan 15:30
593f260
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Initial release of ebcc.