11 Commits

Author	SHA1	Message	Date
eginer	c95f1ee0ac	changed all two-rdm with the normalization convtion to N(N-1) and not N(N-1)/2	2023-02-27 17:42:44 +01:00
eginer	fd63ab1355	state_av_full_occ_2_rdm_aa_mo work	2023-02-27 17:33:43 +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
eginer	69f014bc9c	added nuclear repulsion in the diagonal TC matrix element bi_ortho	2023-02-14 23:45:15 +01:00
Emmanuel Giner	ca2b58b495	fixed two rdms	2021-06-03 14:57:45 +02:00
Anthony Scemama	0ffc173b0b	Fixed 2rdm compilation	2021-01-25 10:21:25 +01:00
Anthony Scemama	6553b53d1d	Restore Davidson task size	2021-01-24 11:30:49 +01:00
Emmanuel Giner	2e90197987	renamed and documented properly all providers for two rdms	2020-03-22 18:09:04 +01:00
Emmanuel Giner	570a710de5	renamed two rdm	2020-03-22 17:21:49 +01:00
Emmanuel Giner	6b282c042c	all 2rdm clean and work with openmp	2020-03-22 17:15:39 +01:00