LCPQ/qp2
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Code Releases Activity
1,694 Commits 30 Branches 18 Tags 80 MiB
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61 Commits

Author SHA1 Message Date
Abdallah Ammar
e2162d282d non_sym dress: comb 2023-03-15 10:23:48 +01:00
eginer
a284f6f9d8 removed STUPID DAMN BUG in ordering of psi_selectors for TC
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2023-03-14 23:49:38 +01:00
eginer
274e903d3c added spin density 2023-02-24 21:38:09 +01:00
eginer
4f071a59fb added tc_spin_density 2023-02-24 21:25:36 +01:00
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656709b7c1 added tc spin density 2023-02-23 16:12:00 +01:00
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342a337b46 added the nuclear repulsion in src/tc_bi_ortho/slater_tc_opt_diag.irp.f 2023-02-19 10:51:07 +01:00
eginer
69f014bc9c added nuclear repulsion in the diagonal TC matrix element bi_ortho
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2023-02-14 23:45:15 +01:00
eginer
dd4ea54c6c added test in fci_tc_bi_ortho 
changed names in ezfio functions in ortho_three_e_ints

changed names in ezfio functions in ortho_three_e_ints
 2023-02-08 15:36:36 +01:00
eginer
26bdbf7193 modified cipsi_tc_bi_ortho/selection.irp.f 2023-02-08 10:55:03 +01:00
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80b66dee79 added
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2023-02-07 17:24:09 +01:00
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5bd19df0bc added tc_bi_ortho 2023-02-07 17:07:49 +01:00