25 Commits

Author	SHA1	Message	Date
Anthony Scemama	ca727440db	Removing org-mode source	2023-06-28 13:51:12 +02:00
Anthony Scemama	0f0bceb6c3	GWH guess	2023-06-26 15:37:05 +02:00
Anthony Scemama	39cdbba97e	Fixed Lazy	2023-06-17 00:32:39 +02:00
Anthony Scemama	3f0dbfc928	Parallelized ERI with Domainslib	2023-06-16 18:27:23 +02:00
Anthony Scemama	b4211b8d85	Working on TREXIO basis	2023-04-24 19:31:51 +02:00
Anthony Scemama	2e835550b7	Added trexio write for nuclei	2023-04-24 14:13:36 +02:00
Anthony Scemama	919a8cbdd5	Changed streams to seq	2023-04-24 13:05:01 +02:00
Anthony Scemama	3c77e8267d	Fix leadz	2023-04-20 10:55:32 +02:00
Anthony Scemama	9d3f1ef05a	Modifs for M1	2022-12-13 10:55:47 +01:00
Anthony Scemama	44e99fe252	Fix for ocaml 4.14.0	2022-12-12 18:16:17 +01:00
Anthony Scemama	9b5ca55bd8	Fixed Tailcall	2022-11-07 14:59:11 +01:00
Anthony Scemama	98ca250ed3	Summary	2021-10-19 16:57:22 +02:00
Anthony Scemama	bdece8ea60	Moving all MOs is not optimal	2021-02-03 10:47:34 +01:00
Anthony Scemama	254e8b5dc8	Pretty printer for localization	2021-02-03 09:31:11 +01:00
Anthony Scemama	32c09e5d14	Fixed localization	2021-02-03 08:50:52 +01:00
Anthony Scemama	8e99b4a58c	Fixed localization	2021-02-01 16:35:58 +01:00
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	d1a0145826	Atomic shell pair couple org	2021-01-07 09:21:06 +01:00
Anthony Scemama	934d3de77a	Atomic shell in org	2021-01-06 09:03:26 +01:00
Anthony Scemama	475635cf6c	Better doc	2021-01-04 23:52:36 +01:00
Anthony Scemama	d2b4928352	Added gaussian basis	2021-01-04 23:38:02 +01:00
Anthony Scemama	fccf76180e	Improved Makefile	2021-01-01 18:07:06 +01:00
Anthony Scemama	08bd5303d9	Added HTML documentation	2021-01-01 17:05:25 +01:00