238 Commits

Author	SHA1	Message	Date
Thomas Applencourt	c392599f84	Still working on ninja	2015-05-21 11:30:15 +02:00
Thomas Applencourt	b91e0048df	Add cache for the fortran	2015-05-20 16:01:41 +02:00
Thomas Applencourt	de5a05377a	Add ninja.build generator	2015-05-18 12:12:44 +02:00
Thomas Applencourt	538dfff980	New Working (maybe?) makefile	2015-05-15 16:30:43 +02:00
Thomas Applencourt	6e182577e3	Cleaning makefile	2015-05-13 18:15:01 +02:00
Thomas Applencourt	65574036cd	Move some file to be logic	2015-05-13 15:59:06 +02:00
Thomas Applencourt	f738d273d5	Now Makefile.depend is handlbe by ... module_handler !	2015-05-13 15:33:38 +02:00
Thomas Applencourt	9131c261f1	rename run_Makefile_global.sh => check_src.sh	2015-05-13 11:18:11 +02:00
Thomas Applencourt	5e841bcf5c	Remove run_test.py	2015-05-13 10:57:46 +02:00
Thomas Applencourt	d2fdcff2b4	Remove follow_output.py	2015-05-13 10:56:42 +02:00
Thomas Applencourt	fd7e294015	Remove ezfio_with_default.py	2015-05-13 10:56:28 +02:00
Thomas Applencourt	93b4d0c1bf	Update qp_convert_ezfio	2015-05-12 11:32:20 +02:00
Thomas Applencourt	f628bdee18	Rename MonoInts into Integrals_Monoelec	2015-05-12 11:05:07 +02:00
Thomas Applencourt	1a634b4ed2	Change image name, add image in README.rst, and add Graphviz in dependancy	2015-05-12 10:39:49 +02:00
Thomas Applencourt	5777753d6b	Add all.png to git	2015-05-12 10:05:20 +02:00
Anthony Scemama	e438d8582b	Removed Output module	2015-05-11 19:41:56 +02:00
Anthony Scemama	0c9d9b50dd	Move do_pseudo	2015-05-11 15:50:39 +02:00
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