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
Anthony Scemama	b9c1833896	Optimized three_e_5_idx_exch12_bi_ort	2023-06-02 00:33:37 +02:00
Anthony Scemama	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
Anthony Scemama	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
Anthony Scemama	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
Anthony Scemama	24d9745056	Initial commit	2019-01-25 11:39:31 +01:00