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0aff5aa468
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Pseudo-Corrected NaN in pseudo-potentials
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2015-07-03 15:42:12 +02:00 |
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72dbdff2c6
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Add truncate_wf in Determinants
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2015-07-03 14:55:09 +02:00 |
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cc744730db
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Cleaned MRCC
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2015-07-03 14:42:55 +02:00 |
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Anthony Scemama
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8b9a3d6507
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Merge pull request #17 from LCPQ/master
Working MRCC
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2015-07-03 14:37:59 +02:00 |
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Thomas Applencourt
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15a7b0e367
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Merge pull request #91 from TApplencourt/master
Fix update Readme
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2015-07-03 14:21:36 +02:00 |
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Thomas Applencourt
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85c6ed2d12
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Fix doc never remake
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2015-07-03 13:37:10 +02:00 |
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Thomas Applencourt
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adc82bb35e
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Maj the doc for loc_cele
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2015-07-03 12:40:48 +02:00 |
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Thomas Applencourt
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f93eeac8e2
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Realy fix #84
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2015-07-03 12:35:24 +02:00 |
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Thomas Applencourt
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e91c676dd6
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Merge pull request #24 from LCPQ/master
Merge with eginer
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2015-07-03 12:24:01 +02:00 |
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Thomas Applencourt
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09da801b1d
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Fix #87
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2015-07-03 12:18:02 +02:00 |
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Thomas Applencourt
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3d37e2895d
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Merge pull request #90 from eginer/master
mrcc (var) is ok
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2015-07-03 12:14:53 +02:00 |
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Manu
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517c1a14ac
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MRCC(Var) converges
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2015-07-03 11:49:07 +02:00 |
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Thomas Applencourt
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c1d57e354f
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Rename in ddci
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2015-07-03 11:03:12 +02:00 |
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Thomas Applencourt
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ef82cdf124
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Remove 100 ligne, now generated by AO_Basis/EZFIO.cfg
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2015-07-03 10:35:17 +02:00 |
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Thomas Applencourt
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5b24f53ab6
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Workaround for ezfio bug
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2015-07-02 18:51:08 +02:00 |
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Thomas Applencourt
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a94d3e0e95
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AO provider
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2015-07-02 16:52:34 +02:00 |
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Thomas Applencourt
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19ec3a7d3c
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Move electrons_ezfio.confing into EZFIO.cfg
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2015-07-02 16:00:59 +02:00 |
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Thomas Applencourt
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30dcb63621
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Move aos_ezfio.confing into EZFIO.cfg
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2015-07-02 15:55:57 +02:00 |
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Thomas Applencourt
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26b19573e0
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Merge pull request #89 from TApplencourt/master
Fix ocaml makefile
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2015-07-02 10:37:05 +02:00 |
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Thomas Applencourt
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0cf1ccf74e
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Fixe makefile for the ocaml to always update executable list
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2015-07-02 10:08:04 +02:00 |
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Thomas Applencourt
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a67fd36524
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Add Casino module
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2015-07-02 09:55:41 +02:00 |
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Thomas Applencourt
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7553b0877c
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Remove the raise, for only show the 'source message' / cleaning configure
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2015-07-02 09:40:21 +02:00 |
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Thomas Applencourt
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46fe6fcc92
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Merge pull request #23 from LCPQ/master
Merge with scemama
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2015-07-02 09:22:03 +02:00 |
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Manu
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39db434f63
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MRCC(PT2) converges
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2015-07-02 00:45:36 +02:00 |
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Anthony Scemama
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910e9683a9
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Merge pull request #88 from scemama/master
Better configure script
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2015-07-01 21:08:03 +02:00 |
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3386f90af4
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QP_ROOT substitution in configure
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2015-07-01 19:40:39 +02:00 |
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66e7409980
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QP_ROOT substitution in configure
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2015-07-01 19:29:08 +02:00 |
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fb8d11feac
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Merge branch 'master' of github.com:scemama/quantum_package
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2015-07-01 19:16:55 +02:00 |
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Anthony Scemama
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270f81e5f1
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Merge pull request #16 from LCPQ/master
merge master lcpq repo
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2015-07-01 19:16:42 +02:00 |
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Anthony Scemama
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65400fc876
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Merge pull request #86 from TApplencourt/master
Corect cleaning module
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2015-07-01 19:15:31 +02:00 |
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7dcc82c223
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Merge branch 'master' of github.com:scemama/quantum_package
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2015-06-30 10:46:53 +02:00 |
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b3996d7b4d
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Minor changes
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2015-06-30 10:46:50 +02:00 |
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Anthony Scemama
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5d32549325
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Merge pull request #15 from LCPQ/master
Merge with Manu
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2015-06-30 10:44:43 +02:00 |
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Thomas Applencourt
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9a1f83d1b8
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Simplify qp_create_ninja and beter debug in module_handler
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2015-06-30 10:34:28 +02:00 |
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Thomas Applencourt
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22c5bea198
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Fix cleaning module bug
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2015-06-30 10:10:38 +02:00 |
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Thomas Applencourt
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9b100effcd
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Merge pull request #22 from LCPQ/master
Merge with manu
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2015-06-30 10:00:31 +02:00 |
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Thomas Applencourt
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772ee63e6f
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Merge pull request #85 from eginer/master
Fixed some bugs
Well Play @eginer !
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2015-06-29 12:26:28 +02:00 |
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Manu
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65466718b0
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Fixed bug in NEEDED_... Molden
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2015-06-29 11:45:54 +02:00 |
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Emmanuel Giner
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b2617ea7fd
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Merge pull request #1 from LCPQ/master
Update before merge
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2015-06-29 11:19:39 +02:00 |
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Manu
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e89191d815
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pouet
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2015-06-29 11:15:47 +02:00 |
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Manu
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89f5d5db44
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fixed bug in generate_h_apply.py for the select_max(i_generators)
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2015-06-29 11:13:00 +02:00 |
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Manu
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ee81a80368
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Beginning the merge with qp old
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2015-06-29 10:35:29 +02:00 |
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Thomas Applencourt
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e883bae24e
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Merge pull request #84 from TApplencourt/master
Remove last shell script and update .gitignore
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2015-06-25 18:39:04 +02:00 |
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Thomas Applencourt
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39aca82195
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Modify gitignore
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2015-06-25 16:52:08 +02:00 |
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Thomas Applencourt
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84178ec68c
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Maj doc for CID
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2015-06-25 10:34:53 +02:00 |
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Thomas Applencourt
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bc6784c92a
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Orthograph in qp_install
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2015-06-25 10:22:19 +02:00 |
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Thomas Applencourt
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ff8746c269
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Fix bug with 2 provider for mo_label
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2015-06-25 10:20:36 +02:00 |
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Thomas Applencourt
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fb1114b84d
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Fix bug for character*(68)
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2015-06-24 17:23:49 +02:00 |
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Thomas Applencourt
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8b52142e91
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Merge pull request #83 from TApplencourt/master
Install sv7 clean
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2015-06-24 13:39:30 +02:00 |
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Thomas Applencourt
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17526b3d53
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Fix tag in readme
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2015-06-24 12:25:19 +02:00 |
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