12 Commits

Author	SHA1	Message	Date
Anthony Scemama	18e0818e9d	Fixed tests	2020-11-11 16:54:41 +01:00
Anthony Scemama	7c100a1a2d	Symmetry	2020-11-11 15:51:19 +01:00
Anthony Scemama	69dfa85277	Moved parameter of EZFIO	2020-11-11 01:55:57 +01:00
Anthony Scemama	6c930b70f5	Added restoration of symmetry	2020-11-11 01:12:52 +01:00
Anthony Scemama	ae01d339df	Moved lin_dep_cutoff	2020-06-04 18:42:44 +02:00
Anthony Scemama	75891f14b7	Linear dependencies cutoff	2020-05-25 11:31:28 +02:00
Emmanuel Giner	47c1bec1d8	removed comments for pseudo	2020-04-24 16:32:29 +02:00
Emmanuel Giner	4df9ebf4e0	moved pseudo from h_core to v_e_n in order to make it clean for DFT	2020-04-24 16:11:11 +02:00
Emmanuel Giner	506f1cb094	modified pbe.irp.f	2020-03-31 14:13:49 +02:00
Anthony Scemama	82e184c516	Rename e_n - n_e	2020-03-24 09:09:54 +01:00
Anthony Scemama	60255980e9	Mono -> Single	2019-02-04 23:51:09 +01:00
Anthony Scemama	24d9745056	Initial commit	2019-01-25 11:39:31 +01:00