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v0.9.0

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@github-actions github-actions released this 16 Jul 09:35
· 92 commits to main since this release

SpinAdaptedSecondQuantization v0.9.0

Diff since v0.8.2

Breaking Changes

  • Restructures how orbital spaces are represented to allow for more general topologies.
    • This required making an index space that is more general than the general pqrs electronic indices, so most electronic operators now need to constrain all indices manually using the new electron(1, 2, ...) function.
    • This also changes the operator used for checking subspaces from the subtype operator <: to the subspace operator ⊆
  • Changed how printing of indices work mostly removing the need for explicit translation objects, but one should be careful when viewing expressions where external indices have different constraints in different terms.

Major new features

  • Added functionality to project on fictitious biorthogonal states with CCSD example.

Merged pull requests: