 Anthony Scemama
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e6528bd5dd
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Python -> Python2
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2018-07-27 15:14:58 +02:00 |
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Anthony Scemama
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2c176d1053
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Tabs -> spaces
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2018-07-27 15:08:50 +02:00 |
Thomas Applencourt
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5333a476b4
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Merge pull request #10 from TApplencourt/master
Support dump db
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2016-01-15 16:34:28 +01:00 |
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TApplencourt
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d9ff8fae10
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Remove the db
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2016-01-15 10:15:45 +01:00 |
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TApplencourt
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f121c51b14
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Add dump, remove db
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2016-01-15 10:09:24 +01:00 |
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Thomas Applencourt
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5128ccc58a
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Merge pull request #9 from TApplencourt/master
Add all the transition metal
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2015-07-24 10:35:44 +02:00 |
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Thomas Applencourt
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e8609fbd6a
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Add all the transition metal
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2015-07-24 10:34:30 +02:00 |
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Thomas Applencourt
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d174dedff4
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Merge pull request #8 from TApplencourt/master
Add CU
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2015-07-24 10:17:10 +02:00 |
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Thomas Applencourt
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f209aa9fc0
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Add CU
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2015-07-24 10:15:27 +02:00 |
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Thomas Applencourt
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fe1333152b
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Merge pull request #7 from TApplencourt/master
Add Pseudo
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2015-05-02 15:06:15 +02:00 |
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Thomas Applencourt
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35ac8bcdb6
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Delete a ' in `cond_sql_or` doc
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2015-04-29 18:18:28 +02:00 |
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Thomas Applencourt
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2027cabe98
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Add os.path.join when needed thx to @berguis
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2015-04-29 17:43:56 +02:00 |
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Thomas Applencourt
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c9cc04340a
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Now pseudo is in a gamess format
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2015-04-10 15:50:44 +02:00 |
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Thomas Applencourt
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1601d1905b
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Merge branch 'master' of github.com:TApplencourt/EMSL_Basis_Set_Exchange_Local
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2015-04-10 14:48:31 +02:00 |
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Thomas Applencourt
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27ec49df01
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Now pseudo is in a gamess format
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2015-04-10 14:48:22 +02:00 |
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Anthony Scemama
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829678546c
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Merge pull request #6 from TApplencourt/master
Update gamess.py for python 2.6 format
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2015-03-27 23:55:24 +01:00 |
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Thomas Applencourt
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4b335fbd08
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Update gamess.py for python 2.6 format
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2015-03-27 20:04:45 +01:00 |
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Anthony Scemama
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be4496df91
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Merge pull request #5 from TApplencourt/master
Add Support of python 2.6...
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2015-03-26 23:14:21 +01:00 |
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Thomas Applencourt
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2ee9982571
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Merge branch 'master' of github.com:TApplencourt/EMSL_Basis_Set_Exchange_Local
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2015-03-26 19:37:39 +01:00 |
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Thomas Applencourt
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08220ea2f5
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Finish python 2.6 support
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2015-03-26 19:37:30 +01:00 |
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Thomas Applencourt
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a6e969e446
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Finish python 2.6 support
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2015-03-26 19:36:52 +01:00 |
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Thomas Applencourt
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f1ca1c2dfb
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Add ordered_dict recipe for python 2.6 support
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2015-03-26 19:32:26 +01:00 |
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Anthony Scemama
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b6432b4eff
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Merge pull request #4 from TApplencourt/master
Restor many ele ; and Case Insentivity for basis in get_basis_data
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2015-03-25 21:07:10 +01:00 |
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Thomas Applencourt
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a313b3e243
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Case insensitif for get_basis_data
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2015-03-25 19:57:52 +01:00 |
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Thomas Applencourt
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ce66ab2a93
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Last line
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2015-03-25 16:07:06 +01:00 |
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Thomas Applencourt
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0ef6afb2a6
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Fix number ele
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2015-03-25 16:03:57 +01:00 |
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Thomas Applencourt
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b7b1436067
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Typo
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2015-03-24 13:59:59 +01:00 |
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Thomas Applencourt
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3735ff8199
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Make a warning
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2015-03-24 13:56:46 +01:00 |
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Thomas Applencourt
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5623eb94b0
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Fix some compatibily issue
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2015-03-24 13:43:51 +01:00 |
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Thomas Applencourt
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2848bb22e0
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Add cpdz
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2015-03-23 19:35:36 +01:00 |
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Thomas Applencourt
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7ce8bfcbca
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Delete check_validation
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2015-03-23 15:37:55 +01:00 |
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Thomas Applencourt
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4660f56711
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Remove main in EMSL_LOCAL
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2015-03-23 15:24:35 +01:00 |
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Thomas Applencourt
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db5695b4bf
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Static method from list_format
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2015-03-23 15:12:23 +01:00 |
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Thomas Applencourt
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9a70c61df8
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abspoath for EMSL_DUMP
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2015-03-23 15:05:24 +01:00 |
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Thomas Applencourt
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ba894264d4
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Minor doc
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2015-03-23 14:56:12 +01:00 |
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Thomas Applencourt
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0e7af4546e
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Add db/Pseudo for Burkatzki, Filippi and Dolg data
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2015-03-23 10:49:09 +01:00 |
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Anthony Scemama
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839391ffe7
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Merge pull request #3 from TApplencourt/master
Major change ! Read descritpion
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2015-03-18 17:54:44 +01:00 |
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Thomas Applencourt
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85590ee477
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Fix ~ in db path
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2015-03-18 15:29:03 +01:00 |
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Thomas Applencourt
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cf6314f405
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Debug set to false
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2015-03-18 13:33:54 +01:00 |
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Thomas Applencourt
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46c1c46691
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Docopt indent
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2015-03-18 13:32:13 +01:00 |
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Thomas Applencourt
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a88ec584d8
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Good default path
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2015-03-18 13:30:28 +01:00 |
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Thomas Applencourt
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bf32b939f4
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maj README.md
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2015-03-18 13:27:09 +01:00 |
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Thomas Applencourt
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cfb4759273
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Doc
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2015-03-17 18:03:03 +01:00 |
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Thomas Applencourt
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6d84205ef2
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Merge branch 'master' of github.com:TApplencourt/EMSL_Basis_Set_Exchange_Local
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2015-03-17 17:32:45 +01:00 |
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Thomas Applencourt
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1ba363922b
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Update README.md
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2015-03-17 17:43:54 +01:00 |
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Thomas Applencourt
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7d146f0e8a
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Adding parser...
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2015-03-17 17:32:37 +01:00 |
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Thomas Applencourt
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d1f0515ebb
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Beter readme
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2015-03-17 17:28:31 +01:00 |
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Thomas Applencourt
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789c8d1039
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New name format for db
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2015-03-17 16:11:59 +01:00 |
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Thomas Applencourt
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496ef739b3
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Little optimisation
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2015-03-17 16:11:01 +01:00 |
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Thomas Applencourt
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baebe0de19
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Change organisation
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2015-03-17 15:39:51 +01:00 |