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Commit Graph

13 Commits

Author SHA1 Message Date
AbdAmmar
727c70c0fa \int dr2 phi_i(r2) phi_j(r2) u(r12) v_1b(r2) 2023-07-02 00:19:17 +02:00
b9c1833896 Optimized three_e_5_idx_exch12_bi_ort 2023-06-02 00:33:37 +02:00
6971bf186c Accelerated multiply_poly 2023-06-01 21:42:02 +02:00
Emmanuel Giner
518001ebbd
Merge branch 'dev-stable-tc-scf' into dev-stable 2023-05-31 17:49:34 +02:00
5b427641a6 Inlined multiply_poly 2023-05-15 19:46:06 +02:00
Abdallah Ammar
3c161384cc cos x GTOs integ added 2023-03-04 17:49:48 +01:00
eginer
4472a6d9be non_h_ints compiles 2023-02-06 19:00:35 +01:00
Emmanuel Giner
26177b12ca fixed bug in give_explicit_poly_and_gaussian 2021-06-28 11:52:06 +02:00
Emmanuel Giner
96b9884017 added some orbitals freezing in scf utils 2021-05-10 01:31:34 +02:00
1d148f84bb erf -> derf 2021-03-21 21:06:41 +01:00
Emmanuel Giner
3b75503bc1 minor changes 2020-08-07 11:47:51 +02:00
Emmanuel Giner
e864eb1cf3 added the possibility to use no_vvvv integrals from EZFIO 2020-05-11 16:04:16 +02:00
24d9745056 Initial commit 2019-01-25 11:39:31 +01:00