Commits · c718e95addcd9756c7a9110620c259fe56f5725e · nomad-lab / parser-cp2k

16 Oct, 2017 1 commit
- Restructured the folders and files to use a common project structure, updated readme. · c718e95a
  Lauri Himanen authored Oct 16, 2017
  
  c718e95a
19 Jul, 2017 1 commit
- Updated readme, moved regtests. · 343faa63
  Lauri Himanen authored Jul 19, 2017
  
  343faa63
12 Sep, 2016 1 commit
- Moved regression tests, updated readme. · 3fa5558c
  Lauri Himanen authored Sep 12, 2016
  
  3fa5558c
18 May, 2016 1 commit
- New unittests. · 6169bc3a
  Lauri Himanen authored May 18, 2016
  
  6169bc3a
28 Apr, 2016 1 commit

Lauri Himanen authored Apr 28, 2016

Added parsing for external force file, added detection of CP2K run mode and optimization based on it, started working on GEO_OPT parsing.

33124133

25 Apr, 2016 1 commit
- Added parsing of cell periodicity from the the input file. · 17564899
  Lauri Himanen authored Apr 25, 2016
  
  17564899