Improved orbital transformations routines#25
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JdelArco98
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Jun 9, 2026
JdelArco98
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- Improved orbital transformations routines
- Fix import fqe on GNM
- Updated openfermion dependency version for consistency with numpy > 2.
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Tests fails because orthogonalization missmatch between tequila and sunrise, but the corresponding pull request has already passed the tests (tequilahub/tequila#467). Test will pass again when this merged on the main branch. Until then, please check that anything else breaks on the tests |
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Jul 7, 2026
* Added native Gradients to MCVBT * Merge pull request #17 from tequilahub/devel (#19) Co-authored-by: Davide <59845652+davibinco@users.noreply.github.com> * python 3.11/3.12, CLPO active space edges and plot_MO active space consisntency (#20) * improved JANPA stability + custom edges option * fix ?? empty NMB? * python version 3.12 * CLPO consistency with active space * improved plot_mo active space * Improved orbital transformations routines (#25) * improved orbital transformation/orthogonalization utils * fix openfermion version for consistency with numpy * fqe no downgrading openfermion version * fix active orbital selection use_native_orbs * missing import fqe safe * fast spa opt for hybrid molecules + ffsim saved (#26) * ffsim expval saved * save fqe import + fer_base description safety * fast spa opt for hybrid molecules * tests fastspa + examples (#27) * improved hybrid base typing * plot_MO improved for density and mep + example * vb embeding example * Merge pull request #17 from tequilahub/devel (#28) Co-authored-by: Davide <59845652+davibinco@users.noreply.github.com> --------- Co-authored-by: navidroshani <navid.roshani@uni-a.de> Co-authored-by: Davide <59845652+davibinco@users.noreply.github.com>
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