15 Commits

Author	SHA1	Message	Date
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	b9cf1fe6d5	individual energies seems to work	2021-11-29 23:32:49 +01:00
Clotilde Marut	73f1ffaad3	CC functional	2021-11-25 17:45:48 +01:00
Pierre-Francois Loos	b0413b1d13	clean up CC-S51 functional	2021-11-24 11:53:25 +01:00
Pierre-Francois Loos	aadf942f83	curvature corrected functional revisited	2021-11-24 10:25:48 +01:00
Pierre-Francois Loos	0f28af6d50	Vxc in GW	2021-02-15 17:27:06 +01:00
Pierre-Francois Loos	2ea01fd77e	scaling N-centered	2020-09-29 11:47:18 +02:00
Clotilde Marut	a96719d0c2	scaling of N-centered	2020-09-29 09:43:01 +02:00
Clotilde Marut	a4870ed165	added choice of exchange coefficient and choice of N-centered in the input file	2020-08-02 13:09:30 +02:00
Clotilde Marut	e068aab977	added occupation numbers of orbitals no and no+1 in input and N-centered weights in read_options	2020-08-01 11:45:17 +02:00
Pierre-Francois Loos	91a0120eee	fix problem with individual energies	2020-07-08 10:55:03 +02:00
Clotilde Marut	e8d4938fe5	more modifications in the final print for eDFT_UKS	2020-07-02 22:15:29 +02:00
Clotilde Marut	09d3b39e63	modifications for the parameters of the weight-dependent functionnals	2020-07-02 18:49:42 +02:00
Clotilde Marut	1753f4190d	clean up unrestricted	2020-07-02 14:27:38 +02:00