75 Commits

Author	SHA1	Message	Date
Emmanuel Giner	78254c68c9	Formally finished to code the MRPT_Utils	2016-08-24 16:43:01 +02:00
Emmanuel Giner	a0d5869054	Modifs of fobo-scf	2016-07-16 16:09:50 +02:00
Emmanuel Giner	f030c4b6fe	Merged with LCPQ	2016-03-14 16:12:25 +01:00
Emmanuel Giner	ac8e530372	FOBO-SCF executable works	2016-03-11 23:27:39 +01:00
Anthony Scemama	20a857c446	Distributed PT2	2016-02-19 00:20:28 +01:00
Emmanuel Giner	bc6c26fb73	Add the FOBOCI routines	2016-02-17 17:15:54 +01:00
Emmanuel Giner	27a121bc1b	added print_hcc and OVB plugin	2016-02-17 10:52:57 +01:00
Emmanuel Giner	92dd252be0	added the All_singles module	2016-02-16 11:14:19 +01:00
Lorenzo Tenti	6d30dabc8b	Added the Orbital Entanglement plugin, added the list of active orbitals in bitmasks.irp.f.	2016-02-12 12:27:13 +01:00
Anthony Scemama	9661db8cf8	Updated bitmasks when the number of MOs is < ao_num	2015-12-09 21:21:03 +01:00
caffarel	df6ca0ee05	Downgraded ZeroMQ to 4.0.7	2015-12-04 20:02:35 +01:00
Anthony Scemama	6d05c72143	Added CAS-SCF module	2015-11-30 19:36:18 +01:00
Anthony Scemama	5470e05913	Added target_pt2_qmc	2015-10-19 17:28:08 +02:00
Anthony Scemama	dc3cfb9dbd	English	2015-10-06 15:33:11 +02:00
Anthony Scemama	a55b3cb651	Merged with Manu MRCC	2015-09-08 16:37:46 +02:00
Anthony Scemama	01699dd0c1	i_H_j_phase_out missing in previous commit	2015-07-28 18:57:43 +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
Manu	3e3c0567e1	MRCC is ok with selected excitation operators	2015-07-20 14:19:11 +02:00
Emmanuel Giner	d9ebed61db	Merge pull request #2 from scemama/master ... MRCC utils	2015-07-13 18:31:05 +02:00
Anthony Scemama	05124ab5d4	Cleaned MRCC in MRCC_Utils	2015-07-13 18:00:38 +02:00
Manu	cc89da9db3	minor modiff in bitmasks.irp.f	2015-07-13 14:55:06 +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	95c7861cbc	Fix #82	2015-06-24 11:34:03 +02:00
Thomas Applencourt	4205e42820	Fix maj tree	2015-06-24 10:51:49 +02:00
Thomas Applencourt	90bec251cb	Rename module AOs MOs into {}_Basis	2015-06-24 10:32:12 +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	e99034d3f9	Try to merge...	2015-06-03 14:03:11 +02:00
Thomas Applencourt	8bf723dcfc	Mega cleaning.	2015-06-02 18:17:59 +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	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	bfddb4f9d9	Added EZFIO.cfg and s2_eig test in diag	2015-05-06 15:05:08 +02:00
Thomas Applencourt	acb6b7b16a	Add NEED_CHILDREN_MODULE to replace NEEDED_MODULES	2015-04-30 18:56:04 +02:00
Thomas Applencourt	5947026af0	Fix update_README.py	2015-04-13 10:55:48 +02:00
Anthony Scemama	102bbb0b4f	Lots of minor fixes	2015-04-09 21:46:28 +02:00
Anthony Scemama	6b2496d0ed	Lots of cleaning in scripts and Makefiles	2015-03-26 00:33:45 +01:00
Anthony Scemama	85d611c1ba	Compiles with gfortran. Closes #33	2015-03-24 09:39:13 +01:00
Manu	1291270ee9	modified minor things in DDCI	2015-03-16 17:18:52 +01:00
Manu	0ac8bc5b0b	add inact bitmask/virtual bitmasks and 2h-2p filter	2015-03-16 14:39:31 +01:00
Anthony Scemama	b358afb610	Changed bitmask_reference to bitmask_cas	2015-03-02 12:06:31 +01:00
Anthony Scemama	c6886056b3	Bitmasks documentation	2015-03-02 10:38:06 +01:00