28 Commits

Author	SHA1	Message	Date
Anthony Scemama	0b40cf663a	Improved qp_edit	2014-11-27 23:05:26 +01:00
Anthony Scemama	be4baee2e8	Now ocaml compiles again	2014-11-12 21:58:13 +01:00
Anthony Scemama	57b3a7702b	Determinants are read from rst file	2014-11-03 15:37:02 +01:00
Anthony Scemama	90ccf82824	Print ao symmetries	2014-10-31 23:05:41 +01:00
Anthony Scemama	39a8d4101f	Added read rst for Full-CI/Hartree-Fock.ml	2014-10-31 22:21:38 +01:00
Anthony Scemama	a292070721	Added read rst for Hartree-Fock.ml	2014-10-31 22:19:39 +01:00
Anthony Scemama	e476d845f5	Input_electrons.ml reads rst	2014-10-31 19:33:29 +01:00
Anthony Scemama	dc29b0144c	Input_cisd_sc2 reads rst	2014-10-31 19:26:27 +01:00
Anthony Scemama	c84c7c3054	Input.Bielec_integrals reads rst	2014-10-31 19:23:44 +01:00
Anthony Scemama	c65f93c67c	Simplified tests	2014-10-29 22:16:40 +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	23695b4edb	pretty printing of MOs	2014-10-29 16:56:16 +01:00
Anthony Scemama	b74a8f1035	Working on qp_edit	2014-10-29 00:12:45 +01:00
Anthony Scemama	3fd80125e4	Added lots of mli files for better error messages	2014-10-26 17:35:39 +01:00
Anthony Scemama	6998c27b6e	Improved AO basis printing	2014-10-26 12:46:17 +01:00
Anthony Scemama	0a9de3c23a	Added s-expressions (sexplib)	2014-10-25 21:24:21 +02:00
Anthony Scemama	8531d9c9a1	Added Input_nuclei.ml	2014-10-24 00:42:07 +02:00
Anthony Scemama	708698018d	Added Input_mo_basis.ml	2014-10-24 00:25:15 +02:00
Anthony Scemama	abb8967d63	Added Input_hartree_fock.ml	2014-10-22 00:12:23 +02:00
Anthony Scemama	ede29e4284	Added Input_full_ci.ml	2014-10-21 23:32:47 +02:00
Anthony Scemama	64022d88d7	Added Input_electrons.ml	2014-10-21 23:23:37 +02:00
Anthony Scemama	c1cbf80080	Input_cisd_sc2.ml	2014-10-21 22:18:57 +02:00
Anthony Scemama	7f76f8e2c6	Added Input_determinants.ml	2014-10-20 12:19:12 +02:00
Anthony Scemama	b07365c52f	Added Input_cis.ml	2014-10-18 23:18:54 +02:00
Anthony Scemama	161e54ad15	Working on ocaml input	2014-10-18 00:10:25 +02:00
Anthony Scemama	844553e9e2	Added bielec_integrals input in ocaml	2014-10-17 22:25:45 +02:00
Anthony Scemama	fea8dfd891	Updated save_for_qmcchem (mo_classif)	2014-10-17 15:07:07 +02:00