Commits · 85e6c71d19dfd1420e490a14aff7af7b5e0a94ea · nomad-lab / parser-nwchem · GitLab

06 Sep, 2016 3 commits
- Fixed the issue with repeating information added to backend. · 85e6c71d
  Lauri Himanen authored Sep 06, 2016
  
  85e6c71d
- Trying to figure out the error given by gitlab. · 0d9c5dbd
  Lauri Himanen authored Sep 06, 2016
  
  0d9c5dbd
- Changed test case, now number_of_scf_iterations is emitted in the correct place. · 868d449a
  Lauri Himanen authored Sep 06, 2016
  
  868d449a
05 Sep, 2016 5 commits
- Fixed import of nwchemparser. · 4bdfe7ae
  Lauri Himanen authored Sep 05, 2016
  
  4bdfe7ae
- Changed CPMD to NWChem in scalainterface.py. · 744da03f
  Lauri Himanen authored Sep 05, 2016
  
  744da03f
- Added python3 info to readme, fixed spelling of NWChem in scala file. · 1c0d3c3d
  Lauri Himanen authored Sep 05, 2016
  
  1c0d3c3d
- Initial commit. · ffdbdea1
  Lauri Himanen authored Sep 05, 2016
  
  ffdbdea1
- Trying out the new NWChem submodule. · e5d11746
  Lauri Himanen authored Sep 05, 2016
  
  e5d11746