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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-16 02:53:51 +01:00
Commit Graph

11 Commits

Author SHA1 Message Date
eginer
436b881580 added thresh_cycle 2023-03-28 11:21:19 +02:00
Abdallah Ammar
859f8653de tc_scf added var_tc option 2023-03-14 21:18:19 +01:00
Abdallah Ammar
dac3215a65 tc_scf v1 of combin 2023-03-04 02:43:33 +01:00
Abdallah Ammar
10b461f5a2 tc_scf: combined 2023-03-04 02:10:45 +01:00
eginer
dc4d794261 Merge branch 'dev-stable-tc-scf' of https://github.com/QuantumPackage/qp2 into dev-stable-tc-scf 2023-02-08 15:12:21 +01:00
eginer
261ff40044 added test in fci_tc_bi_ortho 2023-02-08 14:02:00 +01:00
eginer
00081668f2 renamed three_body_ints in ortho_three_e_ints 2023-02-07 16:50:54 +01:00
eginer
cc16cea1b0 cleaning in tc_scf 2023-02-07 16:45:10 +01:00
eginer
d6ed501c91 added a proper test for tc_scf 2023-02-07 13:43:37 +01:00
eginer
2ec8b1f34c added missing bi_ort_ints 2023-02-07 13:27:19 +01:00
eginer
a4bb488d64 tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh 2023-02-06 19:26:58 +01:00