LCPQ/quantum_package
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Code Issues Releases Wiki Activity
1,765 Commits 6 Branches 5 Tags 93 MiB
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434 Commits

Author SHA1 Message Date
Anthony Scemama
0aff5aa468 Pseudo-Corrected NaN in pseudo-potentials 2015-07-03 15:42:12 +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
Thomas Applencourt
028b56d040 Remove Ezfio_files/README.rst to git. Change to many time 2015-07-03 14:32:22 +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
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
a94d3e0e95 AO provider 2015-07-02 16:52:34 +02:00
Thomas Applencourt
a67fd36524 Add Casino module 2015-07-02 09:55:41 +02:00
Manu
39db434f63 MRCC(PT2) converges 2015-07-02 00:45:36 +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
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
Thomas Applencourt
22c5bea198 Fix cleaning module bug 2015-06-30 10:10:38 +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
ee81a80368 Beginning the merge with qp old 2015-06-29 10:35:29 +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
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
8accde8b19 Cleaning module_handler 2015-06-23 18:43:56 +02:00
Anthony Scemama
01aeaffaf1 Merge branch 'master' of github.com:scemama/quantum_package 
Conflicts:
	scripts/compilation/qp_create_ninja.py
 2015-06-22 09:43:48 +02:00
Thomas Applencourt
93eafd009d Update the EZFIO.cfg with the new keyword 2015-06-18 15:04:44 +02:00
Thomas Applencourt
4708a2d93c Move densityfit for bad raison 2015-06-18 10:23:48 +02:00
Thomas Applencourt
dbbe9da571 First travis module 2015-06-17 19:00:31 +02:00
Thomas Applencourt
6a91e63cf3 Move into plugins 2015-06-17 18:23:56 +02:00