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Author SHA1 Message Date
Manu
83c8b0c3f8 Merge branch 'master' of github.com:eginer/quantum_package 2015-07-20 14:39:58 +02:00
Manu
3e3c0567e1 MRCC is ok with selected excitation operators 2015-07-20 14:19:11 +02:00
Manu
3d64bcd83a fixed bug in dressed_matrix 2015-07-20 13:35:38 +02:00
Thomas Applencourt
e712cb410e Merge pull request #97 from TApplencourt/master 
Add bulddir variable in ninja
 2015-07-16 17:54:17 +02:00
Thomas Applencourt
ce22e1a875 Merge branch 'master' into develop 2015-07-16 17:48:13 +02:00
Thomas Applencourt
997d0aebbd Beter message when installing 2015-07-16 17:45:42 +02:00
Thomas Applencourt
b8152bb47a Add builddir for more amazingness 2015-07-16 17:36:38 +02:00
Thomas Applencourt
3f84e59f06 Merge pull request #96 from TApplencourt/master 
Correction of install Bug
 2015-07-16 16:44:54 +02:00
Thomas Applencourt
f49fea0620 Merge branch 'develop' 2015-07-16 15:50:37 +02:00
Thomas Applencourt
582c608b3e REMOVE EZFIO_FILE/REAMD.rst 2015-07-16 15:50:26 +02:00
Thomas Applencourt
295950dbfc Merge branch 'LCPQ-master' into develop 2015-07-16 15:44:59 +02:00
Thomas Applencourt
99444757b1 Epic merge for the doc... 2015-07-16 15:44:51 +02:00
Thomas Applencourt
31e534ba67 Merge tag '0.1.0' into develop 
Test
 2015-07-16 15:26:56 +02:00
Thomas Applencourt
4d9b1389dc Merge branch 'release/0.1.0' 2015-07-16 15:26:43 +02:00
Thomas Applencourt
ec9bb7fad8 Remove README.rst in Ezfio_file 2015-07-16 15:22:29 +02:00
Thomas Applencourt
d067773d3a Fix coherency 2015-07-16 15:20:31 +02:00
Thomas Applencourt
8eac20aa2e Beter uninstalation 2015-07-16 14:41:39 +02:00
Thomas Applencourt
e195685c4b Going back to png 2015-07-16 14:25:20 +02:00
Thomas Applencourt
aa2166bf1e Beter error handler 2015-07-16 12:15:07 +02:00
Thomas Applencourt
b9215aad50 Clean 2015-07-16 11:39:52 +02:00
Thomas Applencourt
c38e042781 Fix graphiz dl format archive 2015-07-16 10:53:40 +02:00
Thomas Applencourt
740c746b9c Debuging travis 2015-07-16 10:49:25 +02:00
Thomas Applencourt
c7c9243c21 Fix README and graphiz 2015-07-16 10:40:57 +02:00
Thomas Applencourt
21d5f63841 Add dot_parser.py 2015-07-16 08:59:43 +02:00
Thomas Applencourt
15cf4e48ee Add FAQ into README 2015-07-15 14:31:48 +02:00
Emmanuel Giner
cd95492768 Merge pull request #3 from LCPQ/master 
merge
 2015-07-15 14:16:17 +02:00
Manu
a08101a3b7 Pull ok 2015-07-15 14:04:56 +02:00
Manu
0b3f0e4af6 Trying to pull 2015-07-15 14:02:13 +02:00
Manu
b39c118b86 Minor modiffs (2) 2015-07-15 14:01:43 +02:00
Manu
69250d7a2e Minor modiffs 2015-07-15 14:01:06 +02:00
Thomas Applencourt
447b3b3523 Merge pull request #95 from TApplencourt/master 
New travis
 2015-07-15 13:25:46 +02:00
Thomas Applencourt
b4c45f154a Maj .gitignore HF 2015-07-15 11:21:05 +02:00
Thomas Applencourt
7eee7cc36d Maj .gitignore HF 2015-07-15 11:17:00 +02:00
Thomas Applencourt
a427f27f3a Merge tag 'fix_new_module_tag_error' into develop 
Clean before unistall
 2015-07-15 11:01:16 +02:00
Thomas Applencourt
71c3500318 Merge branch 'hotfix/fix_new_module_tag_error' 2015-07-15 11:00:38 +02:00
Thomas Applencourt
5bfc28b1f7 When uninstall module cleaning fist 2015-07-15 11:00:23 +02:00
Thomas Applencourt
2bd6a05beb Try new travis 2015-07-15 09:50:51 +02:00
Anthony Scemama
b6d8531583 Accelerated S^2 2015-07-14 01:06:28 +02:00
Emmanuel Giner
d9ebed61db Merge pull request #2 from scemama/master 
MRCC utils
 2015-07-13 18:31:05 +02:00
Anthony Scemama
4dbe5dcd5d read_wf has to be true for mrcc 2015-07-13 18:26:34 +02:00
Anthony Scemama
0228909819 Renamed mrcc in mrcc_cassd 2015-07-13 18:05:19 +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
Anthony Scemama
70423eb4f0 Corrected bug for CO2 in pseudopotentials 2015-07-07 16:25:17 +02:00
Thomas Applencourt
63055bbbce Beter doc 2015-07-06 14:18:11 +02:00
Anthony Scemama
dd30c6ce74 Merge pull request #93 from scemama/master 
Working MRCC, sorted .gitignore and $QP_ROOT in comments
 2015-07-04 00:17:02 +02:00
Anthony Scemama
58ada7058f Sort gitignore to avoid stupid conflicts 2015-07-04 00:11:06 +02:00
Anthony Scemama
01418be1c7 Merge branch 'master' of https://github.com/eginer/quantum_package into eginer-master 
Conflicts:
	ocaml/.gitignore
	plugins/CAS_SD/.gitignore
	plugins/CAS_SD/README.rst
	plugins/Full_CI/.gitignore
	plugins/Full_CI/README.rst
	plugins/Hartree_Fock/.gitignore
	plugins/MRCC/.gitignore
	plugins/MRCC/README.rst
	plugins/MRCC/mrcc_utils.irp.f
	plugins/Molden/.gitignore
	plugins/Molden/tree_dependency.png
	src/Determinants/.gitignore
	src/Determinants/README.rst
	src/Ezfio_files/README.rst
	src/Integrals_Monoelec/.gitignore
	src/MOGuess/.gitignore
 2015-07-03 23:56:32 +02:00
Manu
12e81de1c7 MRCC converges with tiny matrixes 2015-07-03 19:19:44 +02:00
Manu
fb1e97ce1a bug in mrcc with tiny matrix for the dressing 2015-07-03 18:50:07 +02:00