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lines changed- docs
- notebooks
- source
- api
- images
- methods
- forte
- api
- attic
- base_classes
- casscf
- fci
- genci
- helpers
- lbfgs
- mcscf
- modules
- mrdsrg-spin-adapted
- mrdsrg-spin-integrated
- dsrg_mrpt2_grad
- orbital-helpers
- proc
- tests
- chemps2
- dmrgscf-1
- dmrgscf-2/CAS-CI
- manual
- mcscf-1
- mcscf-2
- mcscf-3
- mcscf-4
- mcscf-5
- methods
- aci-1
- aci-10
- aci-11
- aci-12
- aci-13
- aci-19
- aci-2
- aci-20
- aci-3
- aci-7
- aci-9
- aci-dsrg-mrpt2-1
- aci-dsrg-mrpt2-2
- aci-dsrg-mrpt2-3
- aci-dsrg-mrpt2-4
- aci-dsrg-mrpt2-5
- aci-full-pt2-2
- aci-local-20
- aci_scf-1
- asci-1
- asci-2
- asci-3
- avas-1
- avas-2
- avas-3
- avas-4
- avas-5
- avas-6
- avas-7
- avas-8
- casscf-1
- casscf-2
- casscf-3
- restriced
- casscf-4
- casscf-5
- casscf-6
- casscf-7
- casscf-8
- casscf-9
- casscf-fcidump-1
- casscf-gradient-1
- casscf-gradient-2
- casscf-gradient-3
- casscf-opt-1
- casscf-opt-3
- cd-dsrg-mrpt2-1
- cd-dsrg-mrpt2-2
- cd-dsrg-mrpt2-3
- cd-dsrg-mrpt2-4
- cd-dsrg-mrpt2-5
- cd-dsrg-mrpt2-6
- cis-aci-1
- detci-1
- detci-2
- detci-3
- detci-4
- detci-5-sa
- detci-6-sa
- df-aci-dsrg-mrpt2-1
- df-aci-dsrg-mrpt2-2
- df-casscf-1
- df-casscf-2-rdm
- df-dsrg-mrpt2-1
- df-dsrg-mrpt2-2
- df-dsrg-mrpt2-3
- df-dsrg-mrpt2-4
- df-dsrg-mrpt2-5
- df-dsrg-mrpt2-6
- df-dsrg-mrpt2-7-localized-actv
- df-dsrg-mrpt2-threading1
- df-dsrg-mrpt2-threading2
- df-dsrg-mrpt2-threading4
- diag-alg-1-dynamic
- diag-alg-1-sparse
- diag-alg-2-dynamic
- diag-alg-2-sparse
- diag-alg-3-dynamic
- diskdf-dsrg-mrpt2-1
- diskdf-dsrg-mrpt2-2
- diskdf-dsrg-mrpt2-3
- diskdf-dsrg-mrpt2-4
- diskdf-dsrg-mrpt2-5
- diskdf-dsrg-mrpt2-threading1
- diskdf-dsrg-mrpt2-threading4
- dsrg-mrpt2-1
- dsrg-mrpt2-10-CO-fcidump
- dsrg-mrpt2-12-localized-actv
- dsrg-mrpt2-2
- dsrg-mrpt2-3
- dsrg-mrpt2-4
- dsrg-mrpt2-5
- dsrg-mrpt2-grad-findiff-1
- dsrg-mrpt2-gradient-1
- dsrg-mrpt2-gradient-df-1
- dsrg-mrpt2_spin_adapted-1
- dsrg-mrpt3-1
- dsrg-mrpt3-2
- dsrg-mrpt3-6-sa
- dsrg-mrpt3-9
- embedding-1
- embedding-2
- embedding-3
- embedding-4
- embedding-5
- external_solver-1
- external_solver-2
- fci-1
- fci-5
- fci-6
- fci-ecp-2
- fci-ex-1
- fci-one-electron
- fci-trdms-2
- fci-trdms-3
- gasaci-3
- gasaci-4
- gasaci-5
- gasaciscf-1
- gasci-2
- gasci-3
- gasci-4
- gasci-5
- gasci-dsrg-mrpt2
- gasci-trdm-2
- gasscf-1
- gasscf-2
- gasscf-dsrg-mrpt2-1
- ignored_tests
- FT-CASCI-3
- aci-mrdsrg-ldsrg2-df
- aci_scf-3
- casscf-4b
- casscf-4c
- casscf-ci_restart
- casscf-opt-2
- mr-dsrg-pt2-4
- parallel-casscf-1
- sa-casscf-2
- sa-casscf-3
- integrals-1
- integrals-2
- integrals-3
- integrals-4
- integrals-5
- integrals-fcidump-1
- integrals-fcidump-2
- integrals-fcidump-3
- integrals-fcidump-4
- integrals-fcidump-5
- integrals-fcidump-6
- mp2-nos-1
- mr-dsrg-pt2-1
- mr-dsrg-pt2-2
- mr-dsrg-pt2-3
- mr-srg-pt2-1
- mrdsrg-ldsrg2-1
- mrdsrg-ldsrg2-df-1
- mrdsrg-ldsrg2-df-2
- mrdsrg-ldsrg2-df-3
- mrdsrg-ldsrg2-df-4
- mrdsrg-ldsrg2-df-nivo-1
- mrdsrg-ldsrg2-df-nivo-2
- mrdsrg-ldsrg2-df-nivo-3
- mrdsrg-ldsrg2-df-seq-1
- mrdsrg-ldsrg2-df-seq-2
- mrdsrg-ldsrg2-df-seq-3
- mrdsrg-ldsrg2-df-seq-4
- mrdsrg-ldsrg2-df-seq-nivo-1
- mrdsrg-ldsrg2-df-seq-nivo-2
- mrdsrg-ldsrg2-df-seq-nivo-3
- mrdsrg-ldsrg2-qc-1
- mrdsrg-ldsrg2-qc-2
- mrdsrg-ldsrg2-qc-df-2
- mrdsrg-pt2-1
- mrdsrg-pt2-2
- mrdsrg-pt2-3
- mrdsrg-pt2-4
- mrdsrg-pt2-5
- mrdsrg-spin-adapted-1
- mrdsrg-spin-adapted-2
- mrdsrg-spin-adapted-3
- mrdsrg-spin-adapted-7
- mrdsrg-spin-adapted-pt2-1
- mrdsrg-spin-adapted-pt2-2
- mrdsrg-spin-adapted-pt2-3
- mrdsrg-spin-adapted-pt2-4
- mrdsrg-spin-adapted-pt2-6
- mrdsrg-spin-adapted-pt2-7
- mrdsrg-spin-adapted-pt3-1
- mrdsrg-srgpt2-1
- mrpt2-nos-1
- pci-4
- read-orbitals-1
- sa-casscf-1
- sa-gasaciscf-1
- sa-gasscf-1
- sa-gasscf-2
- sa-gasscf-dsrg-mrpt2-1
- tdci-1
- x2c-1
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