8 Commits

Author	SHA1	Message	Date
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	372ccd2e4e	still looking for some bug	2020-07-05 19:04:08 +02:00
Pierre-Francois Loos	04d1d790f8	starting working on fundamental gap with cloclo	2020-06-23 15:59:19 +02:00
Pierre-Francois Loos	b7474b4a60	R and U density matrices	2020-03-15 14:34:18 +01:00