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This is an archived project. Repository and other project resources are read-only.

Sep 11, 2020
- Further update of README.md; mv metadata.yml -> metadata.yaml · 3a982a69
  temok-mx authored 4 years ago
  
  3a982a69
Sep 10, 2020
- Updated README.md; added metadata.yml; the lead branch is now master, inactive branches became tags · 93cf2295
  temok-mx authored 4 years ago
  
  93cf2295
Apr 08, 2020
- Simplifying setup.py. · 59a82b9b
  Markus Scheidgen authored 5 years ago
  
  59a82b9b
Mar 19, 2020
- Added metainfo python code. · e3a0ab05
  Markus Scheidgen authored 5 years ago
  
  e3a0ab05
Feb 05, 2019
- Removed fairdi logging. · a8b323f8
  Daniel Speckhard authored 6 years ago
  
  View commits for tag legacy-metainfo legacy-metainfo
  
  a8b323f8
- removed scala references. removed nomad-fairdi logging. · ffbca208
  Daniel Speckhard authored 6 years ago
  
  ffbca208
Jan 31, 2019
- Fixed setup.py to install submodules. · 66f2f270
  Markus Scheidgen authored 6 years ago
  
  66f2f270
Jan 28, 2019
- Removed unused import. · 7128e932
  Daniel Speckhard authored 6 years ago
  
  7128e932
- Fixed directory naming error in MANIFEST.in file. · 8ada1eb9
  Daniel Speckhard authored 6 years ago
  
  8ada1eb9
- Fixed setup.py so pickle file is included. · 836c3083
  Daniel Speckhard authored 6 years ago
  
  836c3083
- Added a MANIFEST.in to include pickle file in pypi. · 63970a5f
  Daniel Speckhard authored 6 years ago
  
  63970a5f
Jan 07, 2019
- Fixed gitignore file. · 1ae26aee
  Daniel Speckhard authored 6 years ago
  
  1ae26aee
- Updated cpmd to nomad-fair. · ca6808a5
  Daniel Speckhard authored 6 years ago
  
  ca6808a5
Jul 20, 2018
- Merge branch 'auto-license-info' into 'master' · 0dd1bb1c
  Markus Scheidgen authored 6 years ago
  View commits for tag preMetaRename preMetaRename
  
  0dd1bb1c
Jul 13, 2018
- Added copyright statements and license. · c46ccb03
  Markus Scheidgen authored 6 years ago
  
  c46ccb03
Oct 25, 2017
- license header for scala files · eec87d55
  Mohamed, Fawzi Roberto (fawzi) authored 7 years ago
  
  eec87d55
Oct 19, 2017
- Simplified setup.py. · 00a1d60f
  Lauri Himanen authored 7 years ago
  
  00a1d60f
Oct 18, 2017
- Fixed naming in readme, started using the new way of giving the input file to the parser. · 2f54b247
  Lauri Himanen authored 7 years ago
  
  2f54b247
Oct 16, 2017
- Restructured the folders and files to use a common project structure, updated readme. · 78069e1b
  Lauri Himanen authored 7 years ago
  
  78069e1b
Oct 12, 2017
- Reverted metainfo name change. · d5b4cc75
  Lauri Himanen authored 7 years ago
  
  d5b4cc75
Oct 10, 2017
- Fixed renamed metainfo (cell_associated to cell dependent), fixed issues in the regression testing. · 8c472435
  Lauri Himanen authored 7 years ago
  
  8c472435
Feb 23, 2017
- Fixed issue with missing references from scc to method. · d2d9a1e8
  Lauri Himanen authored 8 years ago
  
  d2d9a1e8
Nov 18, 2016
- Did some renamings according to the changes in baseclasses.py. · 7c1364dc
  Lauri Himanen authored 8 years ago
  
  View commits for tag 1.4.0 1.4.0
  
  7c1364dc
Sep 27, 2016
- Added modules for vibration and properties calculation, fixed issues with... · 41dcc781
  Lauri Himanen authored 8 years ago
  View commits for tag 1.3.0 1.3.0
  
  41dcc781
Sep 26, 2016
- scala: fix cpmd recognition (trailing space,...) · 0f19740f
  Mohamed, Fawzi Roberto (fawzi) authored 8 years ago
  
  0f19740f
Sep 12, 2016
- Fixed various bugs found in testing, added support for BOMD, moved regressions... · aa03af02
  Lauri Himanen authored 8 years ago
  aa03af02
Sep 07, 2016
- Removed unnecessary access of results by index 0 from test cases. · faa02a1f
  Lauri Himanen authored 8 years ago
  
  View commits for tag 1.2.0 1.2.0
  
  faa02a1f
Sep 05, 2016
- Corrected typo. · bc6c6072
  Lauri Himanen authored 8 years ago
  
  bc6c6072
Jul 29, 2016
- Added the parsing of periodicity and XC functional. XC functional parsing... · e82b9773
  Lauri Himanen authored 8 years ago
  View commits for tag 1.0.0 1.0.0
  
  e82b9773
Jul 28, 2016
- Now MD parsing can handle different files and print settings gracefully. · aab8112b
  Lauri Himanen authored 8 years ago
  
  aab8112b
Jul 27, 2016
- Added lot of MD parsing functionality. · 08adf1f0
  Lauri Himanen authored 8 years ago
  
  08adf1f0
Jul 26, 2016
- Started parsing MD runs. · 6851d4cb
  Lauri Himanen authored 8 years ago
  
  6851d4cb
Jul 20, 2016
- Fixed issue that created only one section_system in geo_opt. · 43954fc7
  Lauri Himanen authored 8 years ago
  
  43954fc7
- The initial version of geo opt parsing now ready. · d49fa530
  Lauri Himanen authored 8 years ago
  
  d49fa530
Jul 15, 2016
- Started implementing geoopt parsing. · c7db28d7
  Lauri Himanen authored 8 years ago
  
  c7db28d7
Jul 13, 2016
- Changed the python pickle protocol to 2 to support python2. · 70c8ba57
  Lauri Himanen authored 8 years ago
  
  70c8ba57
- Removed the use of the pytz module, created own timezone class. · 9e3c8a36
  Lauri Himanen authored 8 years ago
  
  9e3c8a36
- Removed the use of the datetime.timestamp() function since python2 doesn't support it. · 4f8676f1
  Lauri Himanen authored 8 years ago
  
  4f8676f1
Jul 12, 2016
- Added missing metafile. · 7acc349b
  Lauri Himanen authored 8 years ago
  
  7acc349b
- Removed duplicate file in scala. · 2b0b927c
  Lauri Himanen authored 8 years ago
  
  2b0b927c