21 Commits

Author	SHA1	Message	Date
3950	59789d873c	commit RG0W0	2023-11-27 10:02:33 +01:00
Pierre-Francois Loos	05d11b3f26	fix bug in AOtoMO transform for UHF	2023-11-22 14:54:05 +01:00
Pierre-Francois Loos	95a3715a3f	fix UHF	2023-10-24 14:39:02 +02:00
Antoine Marie	c4a01b8a12	switch back compiler	2023-08-21 10:57:17 +02:00
Antoine Marie	ddb24ecf99	fixing openmp bugs and some warning	2023-08-21 10:54:33 +02:00
Pierre-Francois Loos	989e0b9bd8	remove qcaml for pyscf	2023-07-03 14:33:48 +02:00
Antoine Marie	86e9ee3dd6	change compiler to gfortran and read basis to be compatible with GoDuck.sh	2023-06-30 16:56:07 +02:00
Antoine Marie	545b5fb5e2	trying to fix diverging version	2023-06-30 16:47:26 +02:00
Pierre-Francois Loos	dc2f8b054c	fix bug in individual energies for VWN	2021-11-01 21:51:02 +01:00
Anthony Scemama	5cb83a6bbb	Mac+Linux automatic selection	2020-10-14 17:20:57 +02:00
Anthony Scemama	546ccd7833	Fix	2020-10-14 17:15:07 +02:00
Anthony Scemama	24bd5c0de9	Error message fixed	2020-10-14 17:13:13 +02:00
Anthony Scemama	3d4383d2b3	Linux	2020-10-14 17:09:07 +02:00
Pierre-Francois Loos	7af5a35157	bug in makefile debug	2020-10-14 16:02:09 +02:00
Pierre-Francois Loos	96254cd22d	remove examples dir	2020-10-14 15:07:35 +02:00
Pierre-Francois Loos	bad6a5a51f	merge eDFT in QuAcK	2020-10-14 09:44:03 +02:00
Pierre-Francois Loos	a65817ce3f	fix make_ninja	2020-10-14 08:31:37 +02:00
Pierre-Francois Loos	5b62486bf7	fix ninja	2020-10-14 08:22:48 +02:00
Pierre-Francois Loos	a415a301d4	int directory	2020-10-13 20:59:03 +02:00
Pierre-Francois Loos	e05ac0a1e8	makefile	2020-10-13 13:49:04 +02:00
Pierre-Francois Loos	a5bd9c218b	ninja	2020-10-13 13:44:24 +02:00