7 Commits

Author	SHA1	Message	Date
Pierre-Francois Loos	aadf942f83	curvature corrected functional revisited	2021-11-24 10:25:48 +01:00
Pierre-Francois Loos	20281b2c8d	4-state eDFT	2021-10-25 12:20:25 +02:00
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
Pierre-Francois Loos	a97b1881b7	OK for PBE and G96 exchange	2021-02-12 10:41:01 +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