fast spa opt for hybrid molecules + ffsim saved - #26
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JdelArco98
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Jun 12, 2026
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- created custom compute_rdms to allow Fast_SPA orbital optimization with hybrid molecules
- Fast SPA orb. opt. + circuit decomposition test created
- ffsim doesn't seem suitable yet to use as fermionic backed (see miscellaneous/ffsim/README) but main structure is already done.
- Function description safety with special characters
- Few safe fqe imports missing
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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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