7 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
Pierre-Francois Loos	431eab634d	saving eDFT	2020-05-05 16:45:10 +02:00
Pierre-Francois Loos	2ce6b12854	Three-state extension and MOM	2020-04-26 23:17:27 +02:00
Pierre-Francois Loos	bbc121c992	auxiliary energies	2020-03-30 22:45:05 +02:00