LCPQ/qp2
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1,629 Commits 33 Branches 18 Tags
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13 Commits

Author SHA1 Message Date
AbdAmmar
c731e5d627 Fixed Conf 2022-12-22 14:52:26 +01:00
eginer
23ec3ba18a trying to prune grid points per AO couples 2022-12-12 16:49:31 +01:00
AbdAmmar
d731e31934 fixed bug in vectorized integ 2022-12-10 14:14:45 +01:00
AbdAmmar
98f9592b8b vec Anthony + fixed bugs + cycle 2022-11-25 23:54:33 +01:00
Anthony Scemama
80b01d5947 Vectorized int2_u2_j1b2 2022-11-20 23:18:16 +01:00
Anthony Scemama
76eeade4d5 Vectorizing integrals 2022-11-20 19:27:23 +01:00
Anthony Scemama
c1bdfe7e93 Starting to transpose 2022-11-20 17:23:07 +01:00
Anthony Scemama
b2f79e2581 Vectorizing numerical integrals 2022-11-20 14:17:41 +01:00
eginer
6c41a9f07d threshold in new jastrow int 2022-11-10 17:02:36 +01:00
AbdAmmar
fccf2fe438 new jast added in QP 2022-10-21 23:27:51 +02:00
AbdAmmar
7a4f732e15 1st version of grad + lapl of Jmu_modif 2022-10-12 11:24:09 +02:00
eginer
996c09d220 beginning to work on new jastrow
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2022-10-10 18:20:33 +02:00
eginer
bdce53d8b1 added many files and did a lot of documentation for bi-ortho scf
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2022-10-05 00:05:22 +02:00