8 Commits

Author	SHA1	Message	Date
Pierre-Francois Loos	1c7a98ba0e	fix bug in PyDuck	2023-12-14 11:16:44 +01:00
Antoine Marie	889ad27c20	fixing nuclear energy	2023-12-14 10:14:00 +01:00
Antoine Marie	2ae4f95500	new format for integrals write in file	2023-09-08 11:02:51 +02:00
Antoine Marie	324298fd84	double float precision integrals	2023-09-08 10:04:04 +02:00
Antoine Marie	c19aff3a32	change multiplicty option to 2S+1	2023-09-06 13:33:41 +02:00
Antoine Marie	8ffa4ff1a8	fix python script for open shell	2023-09-06 11:40:26 +02:00
Pierre-Francois Loos	65ddd8df20	remove MO.dat	2023-07-18 09:20:07 +02:00
Pierre-Francois Loos	989e0b9bd8	remove qcaml for pyscf	2023-07-03 14:33:48 +02:00