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21840 commits 34 branches 26 tags 445 MiB
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15 commits

Author SHA1 Message Date
Alfio Lazzaro
14aa9caae6 Update DBCSR 2024-03-13 21:56:26 +01:00
Ole Schütt
37ab4753b5 update to 2022 2022-01-01 16:04:39 +01:00
alazzaro
ca5cdc8c53 Break IF, Fortran doesn't support shortcut 2021-09-10 17:25:02 +02:00
alazzaro
02dbacf2d1 Update diff_cp2k 2021-09-10 17:25:02 +02:00
Ole Schütt
67d412b930 Set encoding explicitly to utf8 in Python and Perl 2020-10-19 11:25:10 +02:00
Ole Schütt
8ba70f2a84 Move to Python3 2020-05-24 21:28:39 +02:00
Ole Schütt
2526173855 Format all Python files with black 2020-02-25 18:17:50 +01:00
Tiziano Müller
787eb39715 python scripts: drop empty selftest arguments 
unfortunately sourcing the script does not check the AST, rendering even
that part of the selftest useless (see for example
tools/autotune_grid/xyz_to_vab/template_parser.py which contains syntax
errors on Python 3)
 2019-05-16 14:37:03 +02:00
Alfio Lazzaro
ceb7a7f8ec Avoid error when the reference is zero 
svn-origin-rev: 18482
 2018-06-15 12:24:34 +00:00
Alfio Lazzaro
5c2d87cdd9 show name of analyzed files 
svn-origin-rev: 18083
 2017-10-17 13:26:16 +00:00
Alfio Lazzaro
53c148e71b Exclude cases when the job logs don't have final energy 
svn-origin-rev: 17867
 2017-04-24 17:30:48 +00:00
Alfio Lazzaro
07b718113d protect diff_cp2k for the cases when there is no final energy 
svn-origin-rev: 17824
 2017-03-22 14:43:43 +00:00
Alfio Lazzaro
ae3bd46f79 DBCSR-RMA-3D: fix a bug when using 3D layers and images 
svn-origin-rev: 17376
 2016-09-08 17:49:38 +00:00
Alfio Lazzaro
86fe3c0e6b improve stats_keys to accept different fields 
svn-origin-rev: 17050
 2016-06-27 09:04:10 +00:00
Alfio Lazzaro
1b858488de add script for CP2K output comparisons 
svn-origin-rev: 17037
 2016-06-23 17:41:10 +00:00