LCPQ/qp2
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Code Releases Activity
1,923 Commits 29 Branches 18 Tags 76 MiB
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11 Commits

Author SHA1 Message Date
AbdAmmar
63f6404f8e added OPENMP on 1/r12 2023-09-02 18:11:05 +02:00
Abdallah Ammar
7d04a650b7 CS & OS of alpha & beta 2023-09-02 16:47:24 +02:00
Abdallah Ammar
8f0f4d3135 alpha part: full OS 2023-09-01 10:25:12 +02:00
Abdallah Ammar
e0a11ad21d alpha part: 1st and 2nd terms of OS 2023-09-01 09:34:54 +02:00
Abdallah Ammar
024d9019bb F(3e) CS optim 2023-08-31 17:45:12 +02:00
Abdallah Ammar
5ca864b7b0 DGEMM for fock_3e_uhf_mo_cs: OK 2023-08-30 18:49:09 +02:00
AbdAmmar
ff66fe8d26 added OPENMP for all 3e PROVIDERS 2023-04-27 18:03:30 +02:00
AbdAmmar
b2e65d010b added OPENMP for 3e terms 2023-04-27 16:52:31 +02:00
AbdAmmar
207e52d220 fixed bug in TC integrals 2023-04-26 08:52:06 +02:00
eginer
cc16cea1b0 cleaning in tc_scf 2023-02-07 16:45:10 +01:00
eginer
a4bb488d64 tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh
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2023-02-06 19:26:58 +01:00