205 Commits

Author	SHA1	Message	Date
Thomas Applencourt	e5096621f2	Fix set_pseudo_integrals_do_pseudo = False in test	2015-05-02 13:29:57 +02:00
Thomas Applencourt	a531fa6b29	Add Pseudo_integrals folder	2015-05-02 12:58:21 +02:00
Thomas Applencourt	1806b97cb8	Merge branch 'Pseudo'	2015-05-01 10:42:38 +02:00
Thomas Applencourt	af52b1c4c3	Fix merge issue	2015-05-01 10:37:05 +02:00
Thomas Applencourt	03af3bcf73	Update only_chidren_to_all_genealogy.py with relative path	2015-04-30 20:31:27 +02:00
Thomas Applencourt	acb6b7b16a	Add NEED_CHILDREN_MODULE to replace NEEDED_MODULES	2015-04-30 18:56:04 +02:00
Thomas Applencourt	5d29f3c8d9	Put prepare_ezfio.sh in ezfio_interface/	2015-04-30 14:27:32 +02:00
Thomas Applencourt	57f2050fb8	Move upgrade script into upgrade folder	2015-04-30 14:20:08 +02:00
Thomas Applencourt	281dd89c25	Move create script into create folder	2015-04-30 14:10:41 +02:00
Thomas Applencourt	c1c3285cec	Move install script into install folder	2015-04-30 14:05:04 +02:00
Thomas Applencourt	24b4e1b7ca	Move install script into install	2015-04-30 14:01:57 +02:00
Thomas Applencourt	3badfe5a7f	Solve put_pseudo_in_ezfio when len(v_kl) is not equal for all the atom	2015-04-29 14:34:14 +02:00
Thomas Applencourt	1938425cfe	Add a return condition for kmax=1, lmax=1 and v_kl=0.d0 in vpseudo	2015-04-28 18:12:16 +02:00
Thomas Applencourt	185616f7e3	Add capitzalise to EZFIO_convert_output for consitenciy	2015-04-28 14:03:44 +02:00
Thomas Applencourt	14b50bf1eb	Add docopt installation	2015-04-27 17:08:07 +02:00
Thomas Applencourt	0199837d2c	Merging...	2015-04-21 17:51:30 +02:00
Thomas Applencourt	2090015c61	Merge pull request #10 from TApplencourt/master ... Merge with master	2015-04-21 18:00:32 +02:00
Thomas Applencourt	cda3a5ee9c	Working !	2015-04-21 17:43:03 +02:00
Thomas Applencourt	bf997c5583	Add all the mising file...	2015-04-20 18:42:52 +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	79ee1f5a08	Working for the LOCAL part of NaCl	2015-04-13 18:50:37 +02:00
Thomas Applencourt	268b252e11	Working for Li2 but with **WARNING** bad convergence in int_prod_bessel	2015-04-13 18:38:46 +02:00
Thomas Applencourt	25f3b2ee01	Working for Li2 but with **WARNING** bad convergence in int_prod_bessel	2015-04-13 15:04:27 +02:00
Thomas Applencourt	70de4546b8	Merge pull request #8 from TApplencourt/master ... Merge	2015-04-13 13:44:22 +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
Thomas Applencourt	5962aff7ee	mend ... Beter automisation for put_pseudo_in_ezfio.py	2015-04-10 16:51:46 +02:00
Thomas Applencourt	409660b0c6	mend ... Beter automisation for put_pseudo_in_ezfio.py	2015-04-10 16:20:28 +02:00
Thomas Applencourt	96fed344ef	Beter automisation for put_pseudo_in_ezfio.py	2015-04-10 16:08:06 +02:00
Thomas Applencourt	c1d69942c0	working bug ugly pot_ao_ints	2015-04-10 16:02:21 +02:00
Thomas Applencourt	0ebbe6f820	Working put_pseudo_in_ezfio	2015-04-10 14:43:03 +02:00
Thomas Applencourt	1cb79a58a4	Realy ugly (need to use create_ez and set alpha and beta), but working	2015-04-10 09:43:28 +02:00
Anthony Scemama	102bbb0b4f	Lots of minor fixes	2015-04-09 21:46:28 +02:00
Thomas Applencourt	64ea60c727	Working Local	2015-04-07 16:59:42 +02:00
Anthony Scemama	dcd9310033	Solved problem with lowercases	2015-04-07 10:50:37 +02:00