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1,972 Commits 6 Branches 5 Tags 93 MiB
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Author SHA1 Message Date
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
Thomas Applencourt
30dcb63621 Move aos_ezfio.confing into EZFIO.cfg 2015-07-02 15:55:57 +02:00
Thomas Applencourt
26b19573e0 Merge pull request #89 from TApplencourt/master 
Fix ocaml makefile
 2015-07-02 10:37:05 +02:00
Thomas Applencourt
0cf1ccf74e Fixe makefile for the ocaml to always update executable list 2015-07-02 10:08:04 +02:00
Thomas Applencourt
a67fd36524 Add Casino module 2015-07-02 09:55:41 +02:00
Thomas Applencourt
7553b0877c Remove the raise, for only show the 'source message' / cleaning configure 2015-07-02 09:40:21 +02:00
Thomas Applencourt
46fe6fcc92 Merge pull request #23 from LCPQ/master 
Merge with scemama
 2015-07-02 09:22:03 +02:00
Manu
39db434f63 MRCC(PT2) converges 2015-07-02 00:45:36 +02:00
Anthony Scemama
910e9683a9 Merge pull request #88 from scemama/master 
Better configure script
 2015-07-01 21:08:03 +02:00
Anthony Scemama
3386f90af4 QP_ROOT substitution in configure 2015-07-01 19:40:39 +02:00
Anthony Scemama
66e7409980 QP_ROOT substitution in configure 2015-07-01 19:29:08 +02:00
Anthony Scemama
fb8d11feac Merge branch 'master' of github.com:scemama/quantum_package 2015-07-01 19:16:55 +02:00
Anthony Scemama
270f81e5f1 Merge pull request #16 from LCPQ/master 
merge master lcpq repo
 2015-07-01 19:16:42 +02:00
Anthony Scemama
65400fc876 Merge pull request #86 from TApplencourt/master 
Corect cleaning module
 2015-07-01 19:15:31 +02:00
Anthony Scemama
7dcc82c223 Merge branch 'master' of github.com:scemama/quantum_package 2015-06-30 10:46:53 +02:00
Anthony Scemama
b3996d7b4d Minor changes 2015-06-30 10:46:50 +02:00
Anthony Scemama
5d32549325 Merge pull request #15 from LCPQ/master 
Merge with Manu
 2015-06-30 10:44:43 +02:00
Thomas Applencourt
9a1f83d1b8 Simplify qp_create_ninja and beter debug in module_handler 2015-06-30 10:34:28 +02:00
Thomas Applencourt
22c5bea198 Fix cleaning module bug 2015-06-30 10:10:38 +02:00
Thomas Applencourt
9b100effcd Merge pull request #22 from LCPQ/master 
Merge with manu
 2015-06-30 10:00:31 +02:00
Thomas Applencourt
772ee63e6f Merge pull request #85 from eginer/master 
Fixed some bugs
Well Play @eginer  !
 2015-06-29 12:26:28 +02:00
Manu
65466718b0 Fixed bug in NEEDED_... Molden 2015-06-29 11:45:54 +02:00
Emmanuel Giner
b2617ea7fd Merge pull request #1 from LCPQ/master 
Update before merge
 2015-06-29 11:19:39 +02:00
Manu
e89191d815 pouet 2015-06-29 11:15:47 +02:00
Manu
89f5d5db44 fixed bug in generate_h_apply.py for the select_max(i_generators) 2015-06-29 11:13:00 +02:00
Manu
ee81a80368 Beginning the merge with qp old 2015-06-29 10:35:29 +02:00
Thomas Applencourt
e883bae24e Merge pull request #84 from TApplencourt/master 
Remove last shell script and update .gitignore
 2015-06-25 18:39:04 +02:00
Thomas Applencourt
39aca82195 Modify gitignore 2015-06-25 16:52:08 +02:00
Thomas Applencourt
84178ec68c Maj doc for CID 2015-06-25 10:34:53 +02:00
Thomas Applencourt
bc6784c92a Orthograph in qp_install 2015-06-25 10:22:19 +02:00
Thomas Applencourt
ff8746c269 Fix bug with 2 provider for mo_label 2015-06-25 10:20:36 +02:00
Thomas Applencourt
fb1114b84d Fix bug for character*(68) 2015-06-24 17:23:49 +02:00