20 Commits

Author	SHA1	Message	Date
Anthony Scemama	52db618c2b	Implemented read MOs from trexio	2024-09-13 18:22:45 +02:00
Anthony Scemama	5c0b356b6c	Removed org-mode	2024-06-20 15:38:37 +02:00
Anthony Scemama	744f2a0552	Removing org-mode	2024-01-17 14:24:28 +01:00
Anthony Scemama	c4b022aeee	Remove org-mode	2024-01-17 10:30:24 +01:00
Anthony Scemama	d53c0e6ea3	Added Landmark profiler	2023-06-30 12:22:26 +02:00
Anthony Scemama	d5a71707c8	Improved parallel integrals	2023-06-17 02:07:35 +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	919a8cbdd5	Changed streams to seq	2023-04-24 13:05:01 +02:00
Anthony Scemama	dbbebea8d0	Merge lpqsv26:~/tmpdir/QuAcK/qcaml-tools/qcaml into dev	2022-11-07 11:27:34 +01:00
Anthony Scemama	a692242b51	Improved reading basis	2022-11-07 11:24:20 +01:00
Anthony Scemama	98ca250ed3	Summary	2021-10-19 16:57:22 +02:00
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	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	62eacf4146	Renamed Gaussian_basis into Gaussian	2020-10-10 10:59:09 +02:00