24 Commits

Author	SHA1	Message	Date
Anthony Scemama	7aff1a33a9	Fixed nested parallelism in cholesky	2024-03-20 09:20:21 +01:00
Anthony Scemama	a4d7648bb0	Fix segfault in cholesky due to array syntax	2023-08-21 09:56:07 +02:00
Anthony Scemama	1e390d8357	Reduce memory	2023-07-11 23:50:31 +02:00
Anthony Scemama	349f956e1c	Super fast cholesky	2023-07-11 22:33:43 +02:00
Anthony Scemama	9e833cc476	Improve memory control	2023-07-11 22:17:40 +02:00
Anthony Scemama	8c65e01eed	I/O in Cholesky	2023-07-11 17:31:58 +02:00
Anthony Scemama	b4a2e9bd76	Fixed cholesky for tiny thresholds	2023-07-10 23:32:05 +02:00
Anthony Scemama	4237fa888f	Get total memory	2023-07-07 19:05:46 +02:00
Anthony Scemama	905d88529f	Reduced memory in cholesky SCF	2023-07-07 17:47:51 +02:00
Anthony Scemama	e35f847341	Enabled direct integrals in Cholesky	2023-07-06 17:51:59 +02:00
Anthony Scemama	a2c4a74d92	Fixed writing MOs for large sizes'	2023-07-06 17:13:48 +02:00
Anthony Scemama	0132eb87fe	Symmetry in cholesky	2023-07-05 02:53:28 +02:00
Anthony Scemama	94b1ae138b	Cleaning	2023-07-05 00:40:48 +02:00
Anthony Scemama	0242e9c376	Changed formats E to ES	2023-07-04 22:17:31 +02:00
Anthony Scemama	9b0c270662	Block cholesky	2023-07-04 10:46:05 +02:00
Anthony Scemama	06720f3f21	integer8 in cholesky	2023-07-04 01:22:12 +02:00
Anthony Scemama	837ec89f1b	Accelerate Cholesky	2023-07-03 21:04:50 +02:00
Anthony Scemama	3c7a10934f	Accelerated Cholesky	2023-07-03 19:54:00 +02:00
Anthony Scemama	487e85c6ae	Cholesky OK	2023-07-03 18:19:31 +02:00
Anthony Scemama	d911f4eee8	Rewrote Cholesky	2023-07-03 17:41:34 +02:00
Anthony Scemama	4d9e28438c	Improved I/O in CCSD	2023-06-12 14:05:36 +02:00
Anthony Scemama	a8948d0916	cholesky in big_array	2023-05-17 16:55:29 +02:00
Anthony Scemama	46cbd80b95	Accelerated Cholesky	2023-05-17 10:44:32 +02:00
Anthony Scemama	c80ebe27b8	Introducing Cholesky-decomposed SCF	2023-04-28 11:39:53 +02:00