11 Commits

Author	SHA1	Message	Date
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
Pierre-Francois Loos	eb82dd2d67	fix homo and lumo	2020-09-15 11:18:24 +02:00
Clotilde Marut	65ca5214b6	occnum	2020-09-11 11:55:04 +02:00
Clotilde Marut	dbb560f77a	fixed the allocate problem for occnum	2020-08-04 12:30:52 +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
Clotilde Marut	9f34d27502	fixed the wrong-spin removal/addition problem	2020-07-26 17:56:25 +02:00
Clotilde Marut	22dda9af8b	minor modifications	2020-07-04 13:19:45 +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