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953 Commits 6 Branches 5 Tags 93 MiB
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953 Commits

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Author SHA1 Message Date
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
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
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
Anthony Scemama
0aff5aa468 Pseudo-Corrected NaN in pseudo-potentials 2015-07-03 15:42:12 +02:00
Thomas Applencourt
cccc90ea1e Re add EZFIO_file/README.rst 2015-07-03 15:40:25 +02:00
Thomas Applencourt
23f03e252e Fix #92 2015-07-03 15:07:24 +02:00
Anthony Scemama
72dbdff2c6 Add truncate_wf in Determinants 2015-07-03 14:55:09 +02:00
Anthony Scemama
cc744730db Cleaned MRCC 2015-07-03 14:42:55 +02:00
Anthony Scemama
8b9a3d6507 Merge pull request #17 from LCPQ/master 
Working MRCC
 2015-07-03 14:37:59 +02:00
Thomas Applencourt
028b56d040 Remove Ezfio_files/README.rst to git. Change to many time 2015-07-03 14:32:22 +02:00
Thomas Applencourt
15a7b0e367 Merge pull request #91 from TApplencourt/master 
Fix update Readme
 2015-07-03 14:21:36 +02:00
Thomas Applencourt
85c6ed2d12 Fix doc never remake 2015-07-03 13:37:10 +02:00
Thomas Applencourt
adc82bb35e Maj the doc for loc_cele 2015-07-03 12:40:48 +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
09da801b1d Fix #87 2015-07-03 12:18:02 +02:00
Thomas Applencourt
3d37e2895d Merge pull request #90 from eginer/master 
mrcc (var) is ok
 2015-07-03 12:14:53 +02:00
Manu
517c1a14ac MRCC(Var) converges 2015-07-03 11:49:07 +02:00
Thomas Applencourt
c1d57e354f Rename in ddci 2015-07-03 11:03:12 +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
5b24f53ab6 Workaround for ezfio bug 2015-07-02 18:51:08 +02:00
Thomas Applencourt
a94d3e0e95 AO provider 2015-07-02 16:52:34 +02:00
Thomas Applencourt
19ec3a7d3c Move electrons_ezfio.confing into EZFIO.cfg 2015-07-02 16:00:59 +02:00