Commits · 3f81392a73d8851e2bcb7000c64c7b612c4d207a · nomad-lab / nomad-meta-info · GitLab

08 Jul, 2016 5 commits
- adding cpmd to all · 3f81392a
  Mohamed, Fawzi Roberto (fawzi) authored Jul 08, 2016
  
  3f81392a
- basis_set moved to method, represents the basis set class if adaptive basis set are used · 52ddf9a3
  Mohamed, Fawzi Roberto (fawzi) authored Jul 08, 2016
  
  52ddf9a3
- gaussian_settings are two lines, so it has to be repeating · 36bc35cf
  Mohamed, Fawzi Roberto (fawzi) authored Jul 08, 2016
  
  36bc35cf
- make NELM repeating · f2fc1510
  Mohamed, Fawzi Roberto (fawzi) authored Jul 08, 2016
  
  f2fc1510
- Vasp: normalization · d36899a3
  Mohamed, Fawzi Roberto (fawzi) authored Jul 08, 2016
  
  d36899a3
07 Jul, 2016 7 commits
- Fixed issue with duplicated metanames. · 57d04049
  Lauri Himanen authored Jul 07, 2016
  
  57d04049
- Added dummy descriptions in order not to break the tests. Should add correct decriptions later. · 7ee18b8d
  Lauri Himanen authored Jul 07, 2016
  
  7ee18b8d
- Fixed issue with duplicated metanames. · f135e57f
  Lauri Himanen authored Jul 07, 2016
  
  f135e57f
- Added dummy descriptions in order not to break the tests. Should add correct decriptions later. · 015fbeb6
  Lauri Himanen authored Jul 07, 2016
  
  015fbeb6
- New metas for CPMD. · 18026b5f
  Lauri Himanen authored Jul 07, 2016
  
  18026b5f
- Merge branch 'master' of gitlab.mpcdf.mpg.de:nomad-lab/nomad-meta-info · 28e98e03
  martina stella authored Jul 07, 2016
  
  28e98e03
- new metainfo · 7eb0140d
  martina stella authored Jul 07, 2016
  
  7eb0140d
06 Jul, 2016 2 commits
- All metadata contained in example files NaCl.out and mgo.out · b6cb5242
  Kivistö, Sami Kristian (skkivist) authored Jul 07, 2016
  
  b6cb5242
- Started filling out cpmd metas. · abb28231
  Lauri Himanen authored Jul 06, 2016
  
  abb28231
05 Jul, 2016 4 commits
- Merge branch 'master' of gitlab.mpcdf.mpg.de:nomad-lab/nomad-meta-info · b8eac5e0
  Martina Stella authored Jul 05, 2016
  
  b8eac5e0
- adding new metainfo · 8779be6b
  Martina Stella authored Jul 05, 2016
  
  8779be6b
- Version of Gaussian metadata with method processing · b6ff212b
  Rosendo Valero Montero authored Jul 05, 2016
  
  b6ff212b
- Added metainfo file for cpmd. · fb40cc43
  Lauri Himanen authored Jul 05, 2016
  
  fb40cc43
04 Jul, 2016 4 commits
- metainfo stubs for gulp, siesta, and smeagol · 420d5fe8
  Ask Hjorth Larsen authored Jul 04, 2016
  
  420d5fe8
- update autogenerated octopus metadata · be530d0c
  Ask Hjorth Larsen authored Jun 28, 2016
  
  be530d0c
- fixes · f071278f
  Martina Stella authored Jul 04, 2016
  
  f071278f
- fixing metainfo · 6a90cd6d
  Martina Stella authored Jul 04, 2016
  
  6a90cd6d
28 Jun, 2016 1 commit
- mopac meta info · d40764ce
  Mikkel Strange authored Jun 28, 2016
  
  d40764ce
27 Jun, 2016 2 commits
- using lowercase for onetep metainfo · 495421f5
  Mohamed, Fawzi Roberto (fawzi) authored Jun 27, 2016
  
  495421f5
- fixing and normalizing octopus metainfo · 9929d2fa
  Mohamed, Fawzi Roberto (fawzi) authored Jun 27, 2016
  
  9929d2fa
26 Jun, 2016 1 commit
- new custom octopus metadata · cd67cf39
  Ask Hjorth Larsen authored Jun 26, 2016
  
  cd67cf39
24 Jun, 2016 2 commits
- add autogenerated metainfo for octopus · b9eb12ca
  Ask Hjorth Larsen authored Jun 24, 2016
  
  b9eb12ca
- frame_sequence: adding support for different print intervals for different quantities · 924ba170
  Mohamed, Fawzi Roberto (fawzi) authored Jun 24, 2016
  
  924ba170
23 Jun, 2016 4 commits
- fixing name · 85f53719
  martina stella authored Jun 23, 2016
  
  85f53719
- removing old crystal metainfo · b5531b47
  Mohamed, Fawzi Roberto (fawzi) authored Jun 23, 2016
  
  b5531b47
- removing old castep meta info · ec29b44a
  Mohamed, Fawzi Roberto (fawzi) authored Jun 23, 2016
  
  ec29b44a
- adding gaussian basis description to the public part · ccd4241a
  Mohamed, Fawzi Roberto (fawzi) authored Jun 23, 2016
  
  ccd4241a
22 Jun, 2016 2 commits
- crystal: description cannot be empty · 75e2eed0
  Mohamed, Fawzi Roberto (fawzi) authored Jun 22, 2016
  
  75e2eed0
- adding orca metainfo · 57ecdd70
  Mohamed, Fawzi Roberto (fawzi) authored Jun 22, 2016
  
  57ecdd70
21 Jun, 2016 1 commit
- More metainfos for crystal parser · bc485224
  Kivistö, Sami Kristian (skkivist) authored Jun 21, 2016
  
  bc485224
20 Jun, 2016 5 commits
- Merge branch 'master' of gitlab.mpcdf.mpg.de:nomad-lab/nomad-meta-info · 197835cf
  Rosendo Valero Montero authored Jun 20, 2016
  
  197835cf
- Gaussian metadata with up to force constant matrix · 4a7e2b11
  Rosendo Valero Montero authored Jun 20, 2016
  
  4a7e2b11
- Merge branch 'master' of gitlab.mpcdf.mpg.de:nomad-lab/nomad-meta-info · f6d564f0
  Martina Stella authored Jun 20, 2016
  
  f6d564f0
- adding a very first version of Onetep metainfo · 2e906de6
  Martina Stella authored Jun 20, 2016
  
  2e906de6
- New metainfo. · 0f9d3aa7
  Lauri Himanen authored Jun 20, 2016
  
  0f9d3aa7