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mirror of https://github.com/QuantumPackage/qp2.git synced 2025-04-30 20:24:57 +02:00

20 Commits

Author SHA1 Message Date
eginer
5358bd9a61 working on the grad squared 2022-12-10 15:23:50 +01:00
eginer
7578ce3450 added test_int.irp.f 2022-12-09 18:19:10 +01:00
eginer
0f64565cc8 some conflicts fixed 2022-12-08 17:49:28 +01:00
AbdAmmar
d889e67146 opt-g added 2022-12-05 00:08:00 +01:00
eginer
354ba6cb28 working on test_int in tc_scf 2022-12-02 18:35:03 +01:00
AbdAmmar
a11de84bcd cycle + vec is slower 2022-11-26 00:45:10 +01:00
AbdAmmar
98f9592b8b vec Anthony + fixed bugs + cycle 2022-11-25 23:54:33 +01:00
AbdAmmar
a048f1048a fixed conflict 2022-11-21 14:37:04 +01:00
AbdAmmar
eb37b83763 cycle in integ added 2022-11-21 10:38:42 +01:00
dddd409008 Vectorizing integrals.
Some checks failed
continuous-integration/drone/push Build is failing
2022-11-21 02:13:43 +01:00
80b01d5947 Vectorized int2_u2_j1b2 2022-11-20 23:18:16 +01:00
49cc53e919 Fixed OpenMP 2022-11-20 23:07:43 +01:00
76eeade4d5 Vectorizing integrals 2022-11-20 19:27:23 +01:00
b2f79e2581 Vectorizing numerical integrals 2022-11-20 14:17:41 +01:00
AbdAmmar
fccf2fe438 new jast added in QP 2022-10-21 23:27:51 +02:00
AbdAmmar
b13a315cc1 integrals over r2 tested 2022-10-17 17:51:46 +02:00
AbdAmmar
dbbae1f990 list2, list3, j1b, grad_j1, lapl_j1b ok 2022-10-17 10:55:53 +02:00
AbdAmmar
4f0a0f68fc u grad u with j1b added 2022-10-13 22:02:22 +02:00
AbdAmmar
fce9db0fce u^2 j1b^2 added 2022-10-13 20:48:26 +02:00
AbdAmmar
b913277daa 1st term of grad2 added 2022-10-13 19:22:12 +02:00