16 Commits

Author	SHA1	Message	Date
Abdallah Ammar	2b24424891	2e-noL with CUDA	2024-08-08 23:41:03 +02:00
Abdallah Ammar	df1c27c767	Optim in int2_grad1_u12_bimo_t	2024-08-08 12:47:47 +02:00
Abdallah Ammar	84445aa591	Combine calculation of Left & RIGHT MOs in r	2024-08-08 11:39:42 +02:00
eginer	687259c25f	working on the matrix elements both	2024-05-07 20:32:48 +02:00
eginer	b7787f5e6d	trying to speed up the PT2 in TC by transposing the array of tc integrals	2024-05-07 19:43:05 +02:00
Abdallah Ammar	bd8d45b99b	FIXED BUG IN OPTIM J_BH	2024-05-02 17:18:45 +02:00
Abdallah Ammar	d43d960b1a	TC-SCF CLEANED	2024-05-01 23:10:18 +02:00
Abdallah Ammar	c50018e8bd	TC SPRING CLEANING: BEGINNING	2024-05-01 20:25:01 +02:00
AbdAmmar	88e0b5fc74	Merge branch 'dev-stable' into dev-stable	2024-05-01 18:54:03 +02:00
eginer	f35bc23036	Begining to make some cleaning in TC	2024-04-25 19:48:17 +02:00
AbdAmmar	1a36d974b0	saving lcpq-ampere	2024-04-07 00:43:44 +02:00
AbdAmmar	83ed57312d	few modif in ao tc integ	2024-03-19 17:23:41 +01:00
AbdAmmar	1dbde56439	O(N4) -> O(N3) transformations	2024-03-13 07:04:54 +01:00
AbdAmmar	d405aea957	few mom opt	2024-03-11 10:21:59 +01:00
AbdAmmar	ef60141fbf	new keywords for Jastrow	2024-01-15 12:02:38 +01:00
Anthony Scemama	b95c8142a5	Moved many modules in plugins/local for quicker installation	2023-11-07 10:27:34 +01:00