83 Commits

Author	SHA1	Message	Date
Anthony Scemama	51cff0d890	Truncate wave function with -ndet flag of qp_edit	2017-04-12 13:15:44 +02:00
Anthony Scemama	4715857b07	Pseudo is read from resultsFile	2017-04-11 16:47:16 +02:00
Thomas Applencourt	16f43222f2	Update qp_convert_output_to_ezfio.py	2016-11-17 10:47:43 -06:00
Thomas Applencourt	2dc3eea92b	Update qp_convert_output_to_ezfio.py	2016-11-17 10:32:36 -06:00
Anthony Scemama	c2ccbad730	Repaired broken tests	2016-10-06 17:00:20 +02:00
Anthony Scemama	61daec6ee6	Removed all libint stuff	2016-06-03 11:12:41 +02:00
Anthony Scemama	330de7b32f	H with pseudo doesnt segfault	2016-05-10 18:38:54 +02:00
Anthony Scemama	078ee95e12	Bug in ei_handler	2016-05-04 16:14:59 +02:00
Anthony Scemama	0a226a83f1	Not working	2016-04-16 22:25:35 +02:00
Anthony Scemama	d6b970e8a7	Auto-generation of libint required files	2016-03-22 13:28:03 +01:00
Anthony Scemama	6b3ba6a99e	Fixed QMCPACK bugs (Issue #154)	2016-03-07 20:13:43 +01:00
Anthony Scemama	8720911ef7	Fixed QMCPACK bugs	2016-03-07 19:47:26 +01:00
Anthony Scemama	20a857c446	Distributed PT2	2016-02-19 00:20:28 +01:00
Anthony Scemama	ce86b932ca	Spelling in comments	2015-07-25 00:18:19 +02:00
Thomas Applencourt	63055bbbce	Beter doc	2015-07-06 14:18:11 +02:00
Thomas Applencourt	a94d3e0e95	AO provider	2015-07-02 16:52:34 +02:00
Thomas Applencourt	30dcb63621	Move aos_ezfio.confing into EZFIO.cfg	2015-07-02 15:55:57 +02:00
Thomas Applencourt	fb1114b84d	Fix bug for character*(68)	2015-06-24 17:23:49 +02:00
Thomas Applencourt	ac37c2dab8	Workaround for IRP bug	2015-06-24 09:02:22 +02:00
Thomas Applencourt	b3676c43d0	OK	2015-06-23 14:19:54 +02:00
Thomas Applencourt	45054db18e	Remove ezfio_config	2015-06-23 14:07:03 +02:00
Thomas Applencourt	a07312b077	Update doc	2015-06-19 18:58:36 +02:00
Thomas Applencourt	c6128f7a22	Fix ei_handler ocaml_global	2015-06-19 10:32:19 +02:00
Thomas Applencourt	93eafd009d	Update the EZFIO.cfg with the new keyword	2015-06-18 15:04:44 +02:00
Thomas Applencourt	abbcb3195a	Change global variable	2015-06-18 11:11:14 +02:00
Thomas Applencourt	e6e78a521c	installation zlib OK	2015-06-08 20:46:36 +02:00
Thomas Applencourt	e0f360084e	QPACKAGE_ROOT => QP_ROOT =D	2015-06-08 14:49:10 +02:00
Thomas Applencourt	f26f761b0b	New setup v2	2015-06-08 12:35:40 +02:00
Thomas Applencourt	bfde4f47c9	Fix cache import	2015-06-04 18:01:03 +02:00
Thomas Applencourt	62ef20c607	Cleaning but qp_ninja is now long...	2015-06-04 17:01:50 +02:00
Thomas Applencourt	e99034d3f9	Try to merge...	2015-06-03 14:03:11 +02:00
Thomas Applencourt	47b8ca4873	Ninja work now /tmp/ninja/ninja -v -d explain build_all_binary!	2015-05-25 18:40:20 +02:00
Thomas Applencourt	c392599f84	Still working on ninja	2015-05-21 11:30:15 +02:00
Thomas Applencourt	538dfff980	New Working (maybe?) makefile	2015-05-15 16:30:43 +02:00
Anthony Scemama	7c0fd00c1f	Added module DensityFit	2015-05-13 22:53:26 +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	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
Anthony Scemama	e438d8582b	Removed Output module	2015-05-11 19:41:56 +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	7ccfee69a5	Add qp_utils.py for cache decorator, remove pickl in ei_handler.py	2015-05-05 11:05:27 +02:00
Thomas Applencourt	e5096621f2	Fix set_pseudo_integrals_do_pseudo = False in test	2015-05-02 13:29:57 +02:00
Thomas Applencourt	af52b1c4c3	Fix merge issue	2015-05-01 10:37:05 +02:00
Thomas Applencourt	5d29f3c8d9	Put prepare_ezfio.sh in ezfio_interface/	2015-04-30 14:27:32 +02:00
Thomas Applencourt	185616f7e3	Add capitzalise to EZFIO_convert_output for consitenciy	2015-04-28 14:03:44 +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	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