33 Commits

Author	SHA1	Message	Date
Anthony Scemama	52db618c2b	Implemented read MOs from trexio	2024-09-13 18:22:45 +02:00
Anthony Scemama	2090aca15e	Pretty printer for vectors	2024-09-06 15:55:04 +02:00
Anthony Scemama	cf10825862	Fixing CI	2024-09-05 16:08:45 +02:00
Anthony Scemama	5f47e96962	Added CI	2024-07-30 12:55:42 +02:00
Anthony Scemama	a9c5fd16a9	Added determinant_space	2024-06-24 17:44:42 +02:00
Anthony Scemama	5c0b356b6c	Removed org-mode	2024-06-20 15:38:37 +02:00
Anthony Scemama	d53c0e6ea3	Added Landmark profiler	2023-06-30 12:22:26 +02:00
Anthony Scemama	3f0dbfc928	Parallelized ERI with Domainslib	2023-06-16 18:27:23 +02:00
Anthony Scemama	9d3f1ef05a	Modifs for M1	2022-12-13 10:55:47 +01:00
Anthony Scemama	98ca250ed3	Summary	2021-10-19 16:57:22 +02:00
Anthony Scemama	0b6fe42e55	Localization	2021-01-30 19:07:59 +01:00
Anthony Scemama	8502befb65	Update documentation	2021-01-28 00:34:26 +01:00
Anthony Scemama	d0f61750da	Add Gaussian.Atomic_shell_pair	2021-01-20 23:55:34 +01:00
Anthony Scemama	08bd5303d9	Added HTML documentation	2021-01-01 17:05:25 +01:00
Anthony Scemama	65d04a76f2	Cleaned readme for auto-generation	2020-12-28 12:23:39 +01:00
Anthony Scemama	4146264c2e	Added exponential of matrix	2020-12-17 19:52:09 +01:00
Anthony Scemama	3c27ec0c10	Added exponential of matrix	2020-12-17 12:55:11 +01:00
Anthony Scemama	b7add6b2b6	Added transpose	2020-12-16 12:03:20 +01:00
Anthony Scemama	59980ed51c	Add MP2	2020-12-07 13:52:56 +01:00
Anthony Scemama	2a7a586c92	Added a test for Hartree-Fock	2020-10-26 11:52:24 +01:00
Anthony Scemama	718d39924f	Provided example	2020-10-19 18:33:02 +02:00
Anthony Scemama	04d9e14470	Added Hartree_Fock	2020-10-18 01:58:22 +02:00
Anthony Scemama	16adf48234	Introduced infix operators for Vector and Matrices	2020-10-17 19:02:37 +02:00
Anthony Scemama	6217dc5a0a	Removed Qcaml_ prefixes	2020-10-09 09:47:57 +02:00
Anthony Scemama	39e1363a00	Added simulation	2020-10-07 17:54:15 +02:00
Anthony Scemama	c36f356bf8	Added conventions	2020-10-03 15:46:21 +02:00
Anthony Scemama	6d37fe69bd	Commented non-inplace	2020-10-03 15:40:06 +02:00
Anthony Scemama	fe7cd2c550	to_bigarray_inplace	2020-10-03 15:27:48 +02:00
Anthony Scemama	79f3b5ef10	Added phantom types to matrices	2020-10-02 18:55:19 +02:00
Anthony Scemama	6122bf79d8	Added tests for vector	2020-10-02 15:49:09 +02:00
Anthony Scemama	13b791e321	Added phantom types to Vectors	2020-10-02 14:44:09 +02:00
Anthony Scemama	70fe4145f3	Added RR	2020-09-26 16:45:52 +02:00
Anthony Scemama	58d4c2695a	Initial new repo	2020-09-26 12:02:53 +02:00