149 Commits

Author	SHA1	Message	Date
Anthony Scemama	0aff5aa468	Pseudo-Corrected NaN in pseudo-potentials	2015-07-03 15:42:12 +02:00
Thomas Applencourt	f93eeac8e2	Realy fix #84	2015-07-03 12:35:24 +02:00
Thomas Applencourt	e91c676dd6	Merge pull request #24 from LCPQ/master ... Merge with eginer	2015-07-03 12:24:01 +02:00
Thomas Applencourt	3d37e2895d	Merge pull request #90 from eginer/master ... mrcc (var) is ok	2015-07-03 12:14:53 +02:00
Thomas Applencourt	ef82cdf124	Remove 100 ligne, now generated by AO_Basis/EZFIO.cfg	2015-07-03 10:35:17 +02:00
Thomas Applencourt	a67fd36524	Add Casino module	2015-07-02 09:55:41 +02:00
Manu	39db434f63	MRCC(PT2) converges	2015-07-02 00:45:36 +02:00
Thomas Applencourt	22c5bea198	Fix cleaning module bug	2015-06-30 10:10:38 +02:00
Emmanuel Giner	b2617ea7fd	Merge pull request #1 from LCPQ/master ... Update before merge	2015-06-29 11:19:39 +02:00
Manu	ee81a80368	Beginning the merge with qp old	2015-06-29 10:35:29 +02:00
Thomas Applencourt	39aca82195	Modify gitignore	2015-06-25 16:52:08 +02:00
Thomas Applencourt	ff8746c269	Fix bug with 2 provider for mo_label	2015-06-25 10:20:36 +02:00
Thomas Applencourt	17526b3d53	Fix tag in readme	2015-06-24 12:25:19 +02:00
Thomas Applencourt	4205e42820	Fix maj tree	2015-06-24 10:51:49 +02:00
Thomas Applencourt	ac37c2dab8	Workaround for IRP bug	2015-06-24 09:02:22 +02:00
Thomas Applencourt	45054db18e	Remove ezfio_config	2015-06-23 14:07:03 +02:00
Thomas Applencourt	93eafd009d	Update the EZFIO.cfg with the new keyword	2015-06-18 15:04:44 +02:00
Thomas Applencourt	c63f2117cf	We can ninja in a module now	2015-06-10 15:46:04 +02:00
Anthony Scemama	0a72c3af4c	Minor changes	2015-06-09 11:15:56 +02:00
Thomas Applencourt	58b683ea81	Fix import	2015-06-04 17:37:43 +02:00
Thomas Applencourt	2ecacdd18e	Realy fix the readme... Maybe to mush	2015-06-04 12:15:54 +02:00
Thomas Applencourt	81ca7f2545	Remove ASSUMPTIONS.rst. Put it direcly in README.rst	2015-06-04 11:17:01 +02:00
Thomas Applencourt	be114d1d88	BYE BYE MAKEFILE ninja !	2015-06-03 17:52:41 +02:00
Thomas Applencourt	c63cbab3ee	Fix include	2015-06-03 15:32:43 +02:00
Thomas Applencourt	e99034d3f9	Try to merge...	2015-06-03 14:03:11 +02:00
Thomas Applencourt	515020863c	Add missing tree	2015-06-03 13:52:38 +02:00
Thomas Applencourt	8bf723dcfc	Mega cleaning.	2015-06-02 18:17:59 +02:00
Thomas Applencourt	5f0883c05c	Fix cache_compile.py and ninja make all the binary	2015-05-28 12:03:14 +02:00
Anthony Scemama	0267780a19	Compiles with IRPF90/ninja	2015-05-28 01:22:02 +02:00
Thomas Applencourt	ba49beff36	Remove makefile.depend dependancy !	2015-05-27 11:02:13 +02:00
Thomas Applencourt	af1acde61f	Add Update_readme to ninja	2015-05-26 17:43:43 +02:00
Anthony Scemama	e50e967018	Added Davidson in MRCC	2015-05-21 10:15:13 +02:00
Anthony Scemama	7c0fd00c1f	Added module DensityFit	2015-05-13 22:53:26 +02:00
Thomas Applencourt	4ce217a354	n_det_max in in dets, and PT2_max and var_pt2_max are in Perturbation. Delete all the multiple occurance	2015-05-12 15:14:54 +02:00
Thomas Applencourt	1157baa8e3	Fix a dependancy when disosiate bielec_integral and mono_elec	2015-05-12 11:55:52 +02:00
Thomas Applencourt	6d8004e723	Change Bielec_integrals => Integrals_Bielec	2015-05-12 11:30:05 +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	0a1ba724aa	Fixed bugs	2015-05-06 18:26:36 +02:00
Anthony Scemama	8ee7b87954	Removed print	2015-05-06 17:02:59 +02:00
Anthony Scemama	d6ec67e840	Fixed Full CAS-SD	2015-05-06 17:01:45 +02:00
Anthony Scemama	bfddb4f9d9	Added EZFIO.cfg and s2_eig test in diag	2015-05-06 15:05:08 +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	1a9ced8f25	Merge with ao_normalized_ordered_....	2015-05-04 19:05:28 +02:00
Thomas Applencourt	acb6b7b16a	Add NEED_CHILDREN_MODULE to replace NEEDED_MODULES	2015-04-30 18:56:04 +02:00
Thomas Applencourt	bf997c5583	Add all the mising file...	2015-04-20 18:42:52 +02:00
Thomas Applencourt	3b59fca0c7	Add EZFIO.cfg in determinants	2015-04-20 15:20:38 +02:00