LCPQ/qp2
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5 Commits

Author SHA1 Message Date
eginer
7578ce3450 added test_int.irp.f 2022-12-09 18:19:10 +01:00
eginer
fb87d3f012 added the 3body contribution in the energy for TCSCF
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2022-11-19 17:07:21 +01:00
eginer
10b602c503 three body terms in TCSCF work for energy gradients but not for the print of energy
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continuous-integration/drone/push Build is failing
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2022-11-03 18:53:44 +01:00
eginer
67c08c4089 naive version of three e fock matrix works for closed shell 2022-11-03 18:14:08 +01:00
eginer
57e592870c added tc_bi_ortho 2022-10-05 17:01:27 +02:00