221 Commits

Author	SHA1	Message	Date
Thomas Applencourt	4a45182ff7	Put pseudo in pseudo and add suport for SIZE un ezfio.cfg	2015-05-11 14:40:55 +02:00
Thomas Applencourt	8dc7ea8481	Touch EZFIO.cfg and ezfio.config when make veryclean for forcing the recompilation of the EZFIO	2015-05-05 11:31:05 +02:00
Thomas Applencourt	7ccfee69a5	Add qp_utils.py for cache decorator, remove pickl in ei_handler.py	2015-05-05 11:05:27 +02:00
Anthony Scemama	8fab38fcc0	InteRgrals corrected	2015-05-04 20:19:59 +02:00
Anthony Scemama	3b30e4fa4a	Fixed PATH error	2015-05-04 19:44:09 +02:00
Anthony Scemama	ac285a09d9	Merge branch 'master' of github.com:scemama/quantum_package	2015-05-04 19:24:25 +02:00
Thomas Applencourt	d916fb0b1b	Fix NEEDED_MODULE and qp_create_module	2015-05-04 17:30:48 +02:00
Thomas Applencourt	c283e6b688	Change create_module.sh into qp_create_module.sh and so on	2015-05-04 16:03:38 +02:00
Thomas Applencourt	df086e5edd	Remove check_dependencies.sh, is no handle by module_handler.py	2015-05-04 15:53:42 +02:00
Anthony Scemama	b2a6161083	No more SVD in spindeterminants	2015-05-04 15:20:14 +02:00
Thomas Applencourt	fdc415b4a2	Rename only_children... into module_handler.py	2015-05-04 15:03:53 +02:00
Thomas Applencourt	0199fc1374	Add error message to only_children_to...	2015-05-04 14:44:30 +02:00
Thomas Applencourt	30ba1fb5c4	Add dot file to only_children_to_all_genealogy.py	2015-05-04 12:30:31 +02:00
Thomas Applencourt	6316d5a1fd	Cleaning only_children_to_all_genealogy.py	2015-05-04 10:30:22 +02:00
Thomas Applencourt	cdc9f46428	Suport pseudo in qp_create	2015-05-02 14:50:23 +02:00
Thomas Applencourt	f17cccf38e	Suport pseudo in qp_create	2015-05-02 13:43:59 +02:00
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