19 Commits

Author	SHA1	Message	Date
Anthony Scemama	e93477c205	Better qp_edit.ml for errors in determinants	2015-01-08 00:19:51 +01:00
Anthony Scemama	e3fff202b8	Added MD5 key in AOs for check in MOs	2014-12-26 00:17:34 +01:00
Anthony Scemama	4f630520d1	Added sorting with 3 1st electrons	2014-11-28 19:50:48 +01:00
Anthony Scemama	0b40cf663a	Improved qp_edit	2014-11-27 23:05:26 +01:00
Anthony Scemama	a700718078	qp_edit fails better	2014-11-12 17:17:44 +01:00
Anthony Scemama	680247792d	Add documentation to extend qp_edit	2014-11-12 11:25:13 +01:00
Anthony Scemama	8e55dc9f33	Added Hartree_fock to qp_edit	2014-11-12 10:34:54 +01:00
Anthony Scemama	fbebdca621	Added Full_CI to qp_edit	2014-11-12 10:27:04 +01:00
Anthony Scemama	bab7aac3a8	Write electrons with qp_edit	2014-11-04 00:39:10 +01:00
Anthony Scemama	2e895b85a4	Input_determinants is written by qp_edit	2014-11-03 23:08:46 +01:00
Anthony Scemama	323144e9e4	Input_cisd_sc2 is written by qp_edit	2014-11-03 22:42:39 +01:00
Anthony Scemama	a6d2892ab7	Input_bi_ints is written by qp_edit	2014-11-03 22:33:32 +01:00
Anthony Scemama	f9fe342c58	Input_nuclei is written by qp_edit	2014-11-03 22:24:40 +01:00
Anthony Scemama	1ffc72cc79	Working on qp_edit...	2014-11-03 19:33:06 +01:00
Anthony Scemama	beb5e55481	Introduces Rst_string type	2014-10-29 22:13:03 +01:00
Anthony Scemama	62d3de35a2	Printing of xyz in qp_edit	2014-10-29 18:55:31 +01:00
Anthony Scemama	b74a8f1035	Working on qp_edit	2014-10-29 00:12:45 +01:00
Anthony Scemama	82a285774c	Bug in psi_det N_det psi_coef	2014-10-28 17:16:51 +01:00
Anthony Scemama	6998c27b6e	Improved AO basis printing	2014-10-26 12:46:17 +01:00