12 Commits

Author	SHA1	Message	Date
Anthony Scemama	56fd098580	README	2018-12-28 19:12:53 +01:00
Anthony Scemama	d292f00154	gitignore files	2018-12-25 19:24:43 +01:00
Anthony Scemama	467cbc2fdf	n_states=1 in fci test	2018-12-25 18:43:30 +01:00
Anthony Scemama	a058a35204	Fixed tests	2018-12-25 18:19:06 +01:00
Anthony Scemama	e4b1f333dc	Updated tests	2018-12-25 10:55:40 +01:00
Anthony Scemama	3b2a2f66ca	plugins file in docs	2018-12-25 10:32:28 +01:00
Anthony Scemama	8b959ec696	Moved bats files and added qp_test. Need to change travis	2018-12-21 16:34:04 +01:00
Anthony Scemama	dbdaeae65a	Merge with manu (#79) ... * added becke_numerical_grid/example.irp.f * added exemples for determinants and bitmask * added density_for_dft, dft_keywords and data_energy_and_density * added dft_utils_one_body * added dft_utils_two_body and it compilates * added script_CIPSI_RSH.sh * rm slave_cipsi * rm slave_cipsi * added dft_utils_two_body which works * added scf_utils * added slater_rules_mono_bielec.irp.f * remove integrals_bielec_erf * hatree_fock is ok with scf_utils * added kohn_sham_range_separated * added kohn_sham	2018-12-21 00:55:43 +01:00
Anthony Scemama	a4344fc41f	Removed threshold_selectors	2018-12-19 16:03:21 +01:00
Anthony Scemama	1e2255ac88	Fixed tests	2018-12-19 14:33:42 +01:00
Anthony Scemama	cea7813857	Added files	2018-12-18 17:06:21 +01:00
Anthony Scemama	3194178dd2	Removed uppercases in filenames	2018-12-18 16:52:15 +01:00