Commits

Commits on May 29, 2025

Add small noise in DHF-FCI initial guess (#2827)

hczhai
authored and
sunqm
committed

Commits on Apr 17, 2025

Make ``fci_dhf_slow.make_rdm1`` Faster (#2775)
hczhai
authored

Commits on Feb 23, 2025

UCCSD with density fitting (#2712)
hczhai
authored

Commits on Sep 24, 2024

add int1e_ovlp for fcidump to scf

hczhai
authored and
sunqm
committed

Commits on Sep 18, 2024

fix SymAdaptedGHF.eig for complex orbitals

hczhai
authored and
sunqm
committed

Commits on Jan 30, 2023

Full CI for complex integrals (slow) (#1569)
hczhai
authored

Commits on Aug 23, 2022

add tests for ucasscf state_average and _mix
hczhai
committed

Commits on Aug 20, 2022

add make_rdm12s for mcscf state_average
hczhai
committed

Commits on Aug 16, 2022

fix white space

hczhai
authored and
sunqm
committed
spin_square for custom fcisolver in ucasci

hczhai
authored and
sunqm
committed

Commits on Apr 20, 2022

fix error message for ccsd/cisd with dft-x2c ref

hczhai
authored and
sunqm
committed

Commits on Mar 11, 2020

Fix dmrg-nevpt2 example; slow version of NEVPT2 is no longer supported in StackBlock 1.5.3
hczhai
committed