Commits · 1.2.0 · nomad-lab / parser-cpmd · GitLab

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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
- Added input parsing. · 78d04dcb
  Lauri Himanen authored 8 years ago
  
  78d04dcb
Jul 07, 2016
- Added the CPMD banner as the scala regular expression matcher. · 598042f6
  Lauri Himanen authored 8 years ago
  
  598042f6
- Single point parsing basics done, trying to get the scala integration working. · f0ce17c0
  Lauri Himanen authored 8 years ago
  
  f0ce17c0
Jul 06, 2016
- Parsing of single point calculations underway. · 11e7b780
  Lauri Himanen authored 8 years ago
  
  11e7b780
Jul 05, 2016
- Initial structure now ready, testing if the automatic tests pass · 8ffb7733
  Lauri Himanen authored 8 years ago
  
  8ffb7733
Jun 23, 2016
- Add test env for python2 (python3 is te default now) · 7036b12a
  ankit kariryaa authored 9 years ago
  
  7036b12a
Jun 22, 2016
- Initial commit for CPMD. · d4f4b4b8
  Lauri Himanen authored 9 years ago
  
  d4f4b4b8
Apr 25, 2016
- adding readme · 0433b42e
  Mohamed, Fawzi Roberto (fawzi) authored 9 years ago
  
  View commits for tag 0.0.0 0.0.0
  
  0433b42e