4 Commits

Author	SHA1	Message	Date
Pierre-Francois Loos	da8c1c691e	B3LYP works	2021-02-14 21:54:10 +01:00
Pierre-Francois Loos	05acc90332	working on structure eDFT code	2021-02-13 23:09:52 +01:00
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
Pierre-Francois Loos	b70c4e1f7a	more structure in the code	2020-07-06 20:57:27 +02:00