174 Commits

Author	SHA1	Message	Date
Thomas Applencourt	242f7b0612	Add H_apply_template.f	2015-04-20 16:46:16 +02:00
Thomas Applencourt	dcd4017cb9	Fix conflict	2015-04-20 16:08:19 +02:00
Thomas Applencourt	3b59fca0c7	Add EZFIO.cfg in determinants	2015-04-20 15:20:38 +02:00
Thomas Applencourt	78d42e2455	Add ezfio_dir to optional keyword in EZFIO.cfg	2015-04-20 09:48:38 +02:00
Thomas Applencourt	db558258b2	Remove WILL be DELETED and change ezfio_with_default in concequance	2015-04-20 09:11:12 +02:00
Thomas Applencourt	d45e611dad	Print is_bool() to debug in travis ci, canot see the bug in my machine	2015-04-16 14:31:28 +02:00
Thomas Applencourt	654b190506	stirp to strip()	2015-04-16 13:57:00 +02:00
Thomas Applencourt	74c9e03e2a	Try to solve the 'Bool.of_string: expected true or false but got True'	2015-04-16 13:35:29 +02:00
Thomas Applencourt	374c2c003c	Rename qp_convert and major cleaning in it	2015-04-16 10:59:45 +02:00
Thomas Applencourt	989fd4bc07	Add qp_convert_ezfio_v1_to_v2.sh	2015-04-14 09:54:04 +02:00
Thomas Applencourt	323da5e449	Get IRP from LCPQ	2015-04-13 13:21:58 +02:00
Thomas Applencourt	e740bfa8bc	Fixing .gitignore	2015-04-13 13:19:54 +02:00
Thomas Applencourt	5947026af0	Fix update_README.py	2015-04-13 10:55:48 +02:00
Thomas Applencourt	4cd77e1ec8	HOT FIX for the bug	2015-04-13 10:23:03 +02:00
Thomas Applencourt	92ce14a9b0	true -> True for the convention	2015-04-13 09:51:36 +02:00
Thomas Applencourt	db30bb8ec4	ezfio_v1_to_v2.py	2015-04-13 09:41:33 +02:00
Anthony Scemama	7d7626df53	Cleaning	2015-04-10 19:32:35 +02:00
Thomas Applencourt	6958490a02	Merge	2015-04-10 18:10:03 +02:00
Thomas Applencourt	1abca0aa68	Trying to merge	2015-04-10 18:05:47 +02:00
Anthony Scemama	102bbb0b4f	Lots of minor fixes	2015-04-09 21:46:28 +02:00
Anthony Scemama	dcd9310033	Solved problem with lowercases	2015-04-07 10:50:37 +02:00
Anthony Scemama	9b2324ae51	Solved problem with lowercases	2015-04-07 10:17:38 +02:00
Anthony Scemama	fe3c2bb875	Minor changes	2015-04-03 14:26:14 +02:00
Thomas Applencourt	2a58db3f77	Fix conflicts	2015-04-02 15:03:30 +02:00
Thomas Applencourt	11c0013992	Autobuild qp_edit.ml	2015-04-02 14:46:24 +02:00
Anthony Scemama	2204bc4aba	Corrected CAS-SD bug	2015-04-02 11:40:16 +02:00
Thomas Applencourt	295579b7d9	Add docopt for a beter ei_handler.py cli	2015-04-02 10:28:44 +02:00
Thomas Applencourt	88db8c9ae6	Add new type Disk_access (Read Write None)	2015-04-01 14:14:01 +02:00
Thomas Applencourt	ba805c3d8e	'=' is not alowed in EZFIO.cfg. Ocaml bug	2015-03-31 11:41:07 +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	0a8d393dbc	BiInt => Bielec_integrals	2015-03-31 10:51:11 +02:00
Thomas Applencourt	ac7490635a	Add EZFIO.cfg to ezfio_generate_ocaml	2015-03-30 17:36:39 +02:00
Thomas Applencourt	4c3803f383	Add mo_guess into EZFIO.cfg	2015-03-30 16:50:27 +02:00
Thomas Applencourt	96d69921ff	Beter doc for ei_handler	2015-03-30 14:56:00 +02:00
Thomas Applencourt	580d2a26df	Merge branch 'master' of github.com:TApplencourt/quantum_package	2015-03-30 11:59:36 +02:00
Thomas Applencourt	ed0aaefbea	Merge pull request #3 from LCPQ/master ... Merge	2015-03-30 12:13:02 +02:00
Thomas Applencourt	757b785f30	Fix unit_test	2015-03-30 11:47:56 +02:00
Thomas Applencourt	d458696fcb	Add convert_ezfio.sh	2015-03-30 11:21:34 +02:00
Thomas Applencourt	53f473cfae	Add EZFIO.cfg to Hartree_fock	2015-03-30 11:17:09 +02:00
Thomas Applencourt	6bdbe6a78c	Cleaning ei_handler.py	2015-03-30 09:45:00 +02:00
Thomas Applencourt	d76f3683e1	Fixed ocaml generator	2015-03-27 18:15:23 +01:00
Thomas Applencourt	ba190353e8	ei_handler now handle ezfio_default	2015-03-27 17:25:57 +01:00
Thomas Applencourt	b281ab1248	Input need a default, not output !	2015-03-27 16:56:35 +01:00
Thomas Applencourt	fe93782666	ei_handler write Input_full_ci.ml	2015-03-27 16:12:47 +01:00
Thomas Applencourt	5845768b31	Cleaning ezfio_generate_ocaml	2015-03-27 11:20:22 +01:00
Thomas Applencourt	7db2751cdb	Add directory for ezfio_interface, first apparition of ezfio_generate_ocaml	2015-03-27 10:44:39 +01:00
Anthony Scemama	6e4523524b	Fixed IRPF90 environment variable	2015-03-27 09:45:37 +01:00
Anthony Scemama	056675fdf3	Fixed executables list in data	2015-03-26 23:53:33 +01:00
Thomas Applencourt	04514b5b4f	First try for read snipet	2015-03-26 22:07:44 +01:00
Thomas Applencourt	55580d8eb6	Doc in ezfio_interace.py	2015-03-26 21:10:09 +01:00