20 Commits

Author	SHA1	Message	Date
TApplencourt	414aa32463	Add Read / Write for Nuclear Repulsion (usefull for PBC)	2017-05-08 16:27:29 +00:00
Thomas Applencourt	2090015c61	Merge pull request #10 from TApplencourt/master ... Merge with master	2015-04-21 18:00:32 +02:00
Thomas Applencourt	3b59fca0c7	Add EZFIO.cfg in determinants	2015-04-20 15:20:38 +02:00
Thomas Applencourt	e5c2d5ee65	add michel routine	2015-04-03 13:34:27 +02:00
Thomas Applencourt	11c0013992	Autobuild qp_edit.ml	2015-04-02 14:46:24 +02:00
Thomas Applencourt	2c0480fcd8	Ocaml generator need l_ezfio_name and not l_provider	2015-03-31 11:14:45 +02:00
Thomas Applencourt	951a4e35e0	CISD (SC)^2 into CISD (SC)^2 SELECTED cause is the name of the module	2015-03-31 09:33:16 +02:00
Thomas Applencourt	e9665c276c	Add cisd_sc2_selected to qp_edit	2015-03-30 17:56:17 +02:00
Anthony Scemama	42dacb1405	Removed input_cis.ml	2015-01-19 16:41:21 +01:00
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