32 Commits

Author	SHA1	Message	Date
Anthony Scemama	b3d0c06209	Added integrals access benchmark	2015-11-17 00:16:00 +01:00
Anthony Scemama	62a8253244	Introduced Schwartz screening in map_get	2015-11-16 22:08:36 +01:00
Anthony Scemama	1e336aeca1	Added Schwartz in AOs	2015-11-16 20:13:06 +01:00
Anthony Scemama	5470e05913	Added target_pt2_qmc	2015-10-19 17:28:08 +02:00
Anthony Scemama	57b9f1d0c2	Merge branch 'master' of github.com:scemama/quantum_package	2015-10-13 09:27:14 +02:00
Anthony Scemama	dc3cfb9dbd	English	2015-10-06 15:33:11 +02:00
Anthony Scemama	21f18406b7	Integrals goind from Write to Read	2015-09-22 13:42:23 +02:00
Anthony Scemama	13ce974ee4	Corrected bug to read/write ao integrals	2015-09-19 15:05:28 +02:00
Anthony Scemama	c910257927	Tests OK again.	2015-09-19 02:00:26 +02:00
Anthony Scemama	f52e877f7c	CISD save energy	2015-09-11 15:30:44 +02:00
Thomas Applencourt	1c35435ea6	Fixing doc in double	2015-07-28 17:18:45 +02:00
Thomas Applencourt	97c0dcf40b	Fix qp_install_module	2015-07-28 17:02:00 +02:00
Thomas Applencourt	b97e337f4b	Refortorisation of update_readme	2015-07-28 16:45:45 +02:00
Anthony Scemama	05124ab5d4	Cleaned MRCC in MRCC_Utils	2015-07-13 18:00:38 +02:00
Manu	12e81de1c7	MRCC converges with tiny matrixes	2015-07-03 19:19:44 +02:00
Thomas Applencourt	39aca82195	Modify gitignore	2015-06-25 16:52:08 +02:00
Thomas Applencourt	4205e42820	Fix maj tree	2015-06-24 10:51:49 +02:00
Thomas Applencourt	93eafd009d	Update the EZFIO.cfg with the new keyword	2015-06-18 15:04:44 +02:00
Thomas Applencourt	62ef20c607	Cleaning but qp_ninja is now long...	2015-06-04 17:01:50 +02:00
Thomas Applencourt	2ecacdd18e	Realy fix the readme... Maybe to mush	2015-06-04 12:15:54 +02:00
Thomas Applencourt	23921b3e08	Add mising tree	2015-06-04 12:10:48 +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	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
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
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	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