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Sep 11, 2020
- Further update of README.md; mv metadata.yml -> metadata.yaml · ae87dc90
  temok-mx authored 4 years ago
  
  ae87dc90
Sep 10, 2020
- Updated README.md; added metadata.yml; the lead branch is now master, inactive branches became tags · 7a4533f7
  temok-mx authored 4 years ago
  
  7a4533f7
Mar 20, 2020
- Remove dependency on old metainfo. · 6af56cf3
  Markus Scheidgen authored 5 years ago
  
  6af56cf3
Mar 19, 2020
- Added metainfo python code. · 34af403c
  Markus Scheidgen authored 5 years ago
  
  34af403c
Feb 18, 2020
- nomad-FAIR#282 . basis-set rename: MM -> unavailable · e113cbf2
  temok-mx authored 5 years ago
  
  View commits for tag legacy-metainfo legacy-metainfo
  
  e113cbf2
Mar 29, 2019
- Removed the metainfo copy and fixed the metainfo path. · 5f97f320
  Markus Scheidgen authored 6 years ago
  
  5f97f320
- Relaxed strictness on duplicate values. · b94cbfc9
  Markus Scheidgen authored 6 years ago
  
  b94cbfc9
Mar 20, 2019
- removed src directory. · 3b199d1f
  Daniel Speckhard authored 6 years ago
  
  3b199d1f
Mar 14, 2019
- Not yet working. · ceb9a09e
  Daniel Speckhard authored 6 years ago
  
  ceb9a09e
Jul 20, 2018
- Merge branch 'auto-license-info' into 'master' · d3ce1870
  Markus Scheidgen authored 6 years ago
  d3ce1870
Jul 13, 2018
- Added copyright statements and license. · a7abffff
  Markus Scheidgen authored 6 years ago
  
  a7abffff
Mar 01, 2018
- add license header · 65e30653
  Ask Hjorth Larsen authored 7 years ago
  
  View commits for tag preMetaRename preMetaRename
  
  65e30653
- license · 99c39e15
  Ask Hjorth Larsen authored 7 years ago
  
  99c39e15
Oct 25, 2017
- license header for scala files · 0f3a8b0f
  Mohamed, Fawzi Roberto (fawzi) authored 7 years ago
  
  0f3a8b0f
Jan 26, 2017
- ensure compatibility with new ase versions · 2fc4b572
  Ask Hjorth Larsen authored 8 years ago
  
  2fc4b572
- set program_basis_set_type to MM for force field code as discussed on mailing list. · 05fde619
  Ask Hjorth Larsen authored 8 years ago
  
  05fde619
Nov 04, 2016
- we need to distinguish between primitive and non-primitive cell in order not... · 848c0f1e
  Ask Hjorth Larsen authored 8 years ago
  View commits for tag 1.0.0 1.0.0
  
  848c0f1e
- slightly better handling of labels in gulp. Fix bug which would yield... · 10d3c104
  Ask Hjorth Larsen authored 8 years ago
  10d3c104
Oct 10, 2016
- gitignore json files generated by tests · 6b6dbda5
  Ask Hjorth Larsen authored 8 years ago
  
  6b6dbda5
- parse MD variables and tons of interatomic potential tables · 576c7685
  Ask Hjorth Larsen authored 8 years ago
  
  576c7685
- fix runtests script for nomad-labdev · 4c6be9df
  Ask Hjorth Larsen authored 8 years ago
  
  4c6be9df
Oct 07, 2016
- fix parsing of non-trivial atom labels with space groups. Parse charges and... · ec9c260e
  Ask Hjorth Larsen authored 8 years ago
  ec9c260e
Oct 05, 2016
- parse energy contributions. Ability to generate metadata json for energy... · fa04aed7
  Ask Hjorth Larsen authored 8 years ago
  fa04aed7
- run tests in parallel · d3a48ca8
  Ask Hjorth Larsen authored 8 years ago
  
  d3a48ca8
Oct 01, 2016
- comment · 38b99e98
  Ask Hjorth Larsen authored 8 years ago
  
  38b99e98
- use glob to generate parserspec file · 2f5e6f54
  Ask Hjorth Larsen authored 8 years ago
  
  2f5e6f54
- section refs · ef03d339
  Ask Hjorth Larsen authored 8 years ago
  
  ef03d339
- parse multiple configurations · 430c1f8c
  Ask Hjorth Larsen authored 8 years ago
  
  430c1f8c
- clean up old code · f76ed12b
  Ask Hjorth Larsen authored 8 years ago
  
  f76ed12b
- handle empty arrays correctly · af67ba0f
  Ask Hjorth Larsen authored 8 years ago
  
  af67ba0f
- oops, get correct list of positions when doing spacegroup stuff · 94757106
  Ask Hjorth Larsen authored 8 years ago
  
  94757106
- better way of parsing arrays, taken from siesta parser. Clean up · 6ec061bc
  Ask Hjorth Larsen authored 8 years ago
  
  6ec061bc
- script to run tests · bf72acb3
  Ask Hjorth Larsen authored 8 years ago
  
  bf72acb3
- ignore .annotate files · bdf4de1f
  Ask Hjorth Larsen authored 8 years ago
  
  bdf4de1f
Sep 28, 2016
- activating gitlab tests · a1a161b8
  Mohamed, Fawzi Roberto (fawzi) authored 8 years ago
  
  View commits for tag 0.1.0 0.1.0
  
  a1a161b8
- adding scala wrapper · cb21a58c
  Mohamed, Fawzi Roberto (fawzi) authored 8 years ago
  
  cb21a58c
- adding gitignore · 9afc3f88
  Mohamed, Fawzi Roberto (fawzi) authored 8 years ago
  
  9afc3f88
Sep 12, 2016
- parse all reasonable inputs · 519c2425
  Ask Hjorth Larsen authored 8 years ago
  
  519c2425
- add symlinks to ease everyday work · 85c6a2cc
  Ask Hjorth Larsen authored 8 years ago
  
  85c6a2cc
Sep 08, 2016
- work on gulp parser. Space groups · 95f84f6e
  Ask Hjorth Larsen authored 8 years ago
  
  95f84f6e