16 Commits

Author	SHA1	Message	Date
Anthony Scemama	16565bbda4	Fixing tests	2023-10-17 23:35:14 +02:00
eginer	46dfb551a8	modified the factor two in rdm	2023-03-04 13:07:12 +01:00
eginer	b51d72d5b9	changed the factor 2 in basis_correction and mu_of_r in order to adapt to new normalization factor	2023-02-27 19:00:17 +01:00
eginer	3ba5d3b540	factor two introduced in non active only non state average two-rdm, it works with example.irp.f	2023-02-27 15:45:09 +01:00
eginer	fe27080069	beginning to introduce a factor 2 in two-rdm	2023-02-27 15:27:39 +01:00
Emmanuel Giner	cbb8d4aa6d	added the possibility to have a pure active space interaction	2021-09-13 14:38:00 +02:00
bpradines	d6d8b0586c	added basis_correction/print_su_pbe_ot.irp.f	2021-02-26 10:18:42 +01:00
bpradines	e5da77577f	removed stupid dependency on the AO integrals in basis_correction	2021-01-14 11:05:03 +01:00
Emmanuel Giner	aa0c44959c	removed stupid dependency in basis_set_correction	2020-11-09 18:30:10 +01:00
Emmanuel Giner	ee267e27e9	minor modifs	2020-09-21 15:38:26 +02:00
Emmanuel Giner LCT	346ea702c4	minor modifs on basis correction	2020-05-19 11:46:29 +02:00
Emmanuel Giner	bef6175ee4	minor modifs	2020-04-15 17:00:15 +02:00
Emmanuel Giner	e061ab18d9	added some functions in on_top_from_ueg.irp.f	2020-04-14 17:45:01 +02:00
Emmanuel Giner	316bc009c1	renaming done for dft	2020-04-07 12:25:00 +02:00
Emmanuel Giner	2fc294cd56	properly added basis_correction	2020-04-07 11:03:19 +02:00
Emmanuel Giner	c4ded9dcfb	added basis correction and test	2020-04-06 15:06:16 +02:00