21 Commits

Author	SHA1	Message	Date
Clotilde Marut	7fb569aa49	Merge branch 'master' of github.com:pfloos/quack	2022-01-06 11:35:57 +01:00
Pierre-Francois Loos	cfb0d4c92c	print LZ	2022-01-06 11:35:52 +01:00
Clotilde Marut	2b58358681	eDFT code OK	2021-12-16 21:42:58 +01:00
Pierre-Francois Loos	bbe1c4b2ff	fix N-centered	2021-12-06 15:27:39 +01:00
Clotilde Marut	c14f6c9aa1	CC modifs	2021-12-06 10:03:28 +01:00
Pierre-Francois Loos	13185c8b64	individual energies are working	2021-12-01 10:54:51 +01:00
Pierre-Francois Loos	1b6e7e9e0f	looking for bug	2021-11-30 13:43:37 +01:00
Pierre-Francois Loos	b9cf1fe6d5	individual energies seems to work	2021-11-29 23:32:49 +01:00
Pierre-Francois Loos	ed05965399	commit b4 indiv energy	2021-11-29 13:11:01 +01:00
Clotilde Marut	73f1ffaad3	CC functional	2021-11-25 17:45:48 +01:00
Clotilde Marut	363bc11fa8	debugging ind energy for VWN	2021-11-23 09:17:13 +01:00
Clotilde Marut	d2182e22d7	commit for clotilde weight-dependent functionals	2021-11-10 09:48:33 +01:00
Pierre-Francois Loos	dc2f8b054c	fix bug in individual energies for VWN	2021-11-01 21:51:02 +01:00
Pierre-Francois Loos	11949b84bc	update UGW	2020-09-21 16:54:38 +02:00
Clotilde Marut	d1c24948dd	correction of EA sign and added Fundamental Gap in the print	2020-07-09 10:44:19 +02:00
Pierre-Francois Loos	91a0120eee	fix problem with individual energies	2020-07-08 10:55:03 +02:00
Pierre-Francois Loos	2c2f02d701	clean up	2020-07-06 15:42:21 +02:00
Clotilde Marut	22dda9af8b	minor modifications	2020-07-04 13:19:45 +02:00
Clotilde Marut	e8d4938fe5	more modifications in the final print for eDFT_UKS	2020-07-02 22:15:29 +02:00
Clotilde Marut	c081a2664a	starting modifying code for parameters of CC functional	2020-07-02 15:40:30 +02:00
Clotilde Marut	1753f4190d	clean up unrestricted	2020-07-02 14:27:38 +02:00