LCPQ/qp2
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1,979 Commits 29 Branches 18 Tags 76 MiB
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7 Commits

Author SHA1 Message Date
Anthony Scemama
4257185f12 Merge branch 'dev-stable' of github.com:QuantumPackage/qp2 into dev-stable
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2023-10-13 15:10:55 +02:00
Anthony Scemama
a4a799837b Fix natorb with numerical integrals of Jastrow 2023-10-13 15:10:51 +02:00
eginer
8a02620908 minor modif
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2023-10-12 16:15:17 +02:00
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3f95bf40ed tc-two-rdm broken ... 2023-09-13 12:58:26 +02:00
eginer
c3d257c7ac added routines to rotate orbitals without touching core orbitals 2023-06-22 11:58:32 +02:00
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656709b7c1 added tc spin density 2023-02-23 16:12:00 +01:00
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5bd19df0bc added tc_bi_ortho 2023-02-07 17:07:49 +01:00