Commits · parser2 · nomad-lab / parser-gpaw

Jul 12, 2017
- disable add_3d_array for now · 2f389437
  Mikkel Strange authored 7 years ago
  
  View commits for tag parser2 parser2
  
  2f389437
- fix unit conv · 8790e7c0
  Mikkel Strange authored 7 years ago
  
  8790e7c0
- fix energy_reference_fermi · cbef0d5e
  Mikkel Strange authored 7 years ago
  
  cbef0d5e
- use ulm io · 28d9a8a2
  Mikkel Strange authored 7 years ago
  
  28d9a8a2
- add tests for parser2.py (ulm) · 3d1ee9ae
  Mikkel Strange authored 7 years ago
  
  3d1ee9ae
- Merge branch 'gpaw-add-3d-arrays' into 'master' · 7bbb6bca
  Mikkel Strange authored 7 years ago
  7bbb6bca
- Update parser2.py · 85ff1ea7
  Mikkel Strange authored 7 years ago
  
  85ff1ea7
- fix merge conflict · a32953ee
  Mikkel Strange authored 7 years ago
  
  a32953ee
- Merge branch 'ulm' into 'master' · dabe80e1
  Mikkel Strange authored 7 years ago
  dabe80e1
- fix for new ulm reader · cf3ddce8
  Mikkel Strange authored 7 years ago
  
  cf3ddce8
Jul 05, 2017
- use functioning unit conversion shortcut · f51b1dc3
  Ask Hjorth Larsen authored 7 years ago
  
  f51b1dc3
- different handling of units · ed1aa3c8
  Ask Hjorth Larsen authored 7 years ago
  
  ed1aa3c8
- add code to read pseudo density and effective potential from gpw file. Add two tests in ulm format · 10c1d69d
  Ask Hjorth Larsen authored 7 years ago
  
  10c1d69d
Jul 04, 2017
- recognize ulm fileformat · bc6a61ab
  Mikkel Strange authored 7 years ago
  
  bc6a61ab
Sep 28, 2016
- python3 and some polishing · b0638bd7
  Mikkel Strange authored 8 years ago
  
  View commits for tag 1.1.0 1.1.0
  
  b0638bd7
Sep 27, 2016
- forgot versions.py · 49f29713
  Mikkel Strange authored 8 years ago
  
  49f29713
- estimating program version from the fileversion number · 14255323
  Mikkel Strange authored 8 years ago
  
  14255323
Sep 23, 2016
- scalariform · 3bd2e794
  Mohamed, Fawzi Roberto (fawzi) authored 8 years ago
  
  3bd2e794
Sep 22, 2016
- x_gpaw stuff · 3a9bdd8f
  Mikkel Strange authored 8 years ago
  
  3a9bdd8f
Sep 21, 2016
- need a new section_xc_functional for each part of xc · c062bdd1
  Mikkel Strange authored 8 years ago
  
  c062bdd1
- xc name seperated out in x and c parts · 42ac20c6
  Mikkel Strange authored 8 years ago
  
  42ac20c6
Sep 17, 2016
- help needed to identity file in scala, comment on how to do it in python added · d9c3b9f4
  Mikkel Strange authored 8 years ago
  
  d9c3b9f4
- for new aff fileformat · 66f3f805
  Mikkel Strange authored 8 years ago
  
  66f3f805
Sep 16, 2016
- forgot ) · 832bffea
  Mikkel Strange authored 8 years ago
  
  832bffea
- band structure functionality added · c008bc2d
  Mikkel Strange authored 8 years ago
  
  c008bc2d
- test files of new gpw format (aff) · 2178ccd8
  Mikkel Strange authored 8 years ago
  
  2178ccd8
- parser for new type (aff) GPAW output files · b639b34c
  Mikkel Strange authored 8 years ago
  
  b639b34c
Sep 14, 2016
- added one more test | Fe pw and spinpol · 9f96d449
  Mikkel Strange authored 8 years ago
  
  9f96d449
- pw spelling error · e2c577ce
  Mikkel Strange authored 8 years ago
  
  e2c577ce
Sep 13, 2016
- relativity method · 1b55a519
  Mikkel Strange authored 8 years ago
  
  1b55a519
- restructuring a bit · 30dbcec9
  Mikkel Strange authored 8 years ago
  
  30dbcec9
Sep 12, 2016
- added · 2b48358d
  Mikkel Strange authored 8 years ago
  
  2b48358d
Jun 23, 2016
- Change variable name from python2Exe to pythonExe · e215d5d0
  ankit kariryaa authored 9 years ago
  
  View commits for tag 1.0.0 1.0.0
  
  e215d5d0
- Add test env for python2 (python3 is te default now) · 1123860e
  ankit kariryaa authored 9 years ago
  
  1123860e
Jun 21, 2016
- python3: futurize stage2 · 0407f0f2
  Mohamed, Fawzi Roberto (fawzi) authored 9 years ago
  
  0407f0f2
Jun 20, 2016
- added a few meta infos missing · 2135e586
  Mikkel Strange authored 9 years ago
  
  2135e586
- python3: futurize stage1 · 811ab401
  Mohamed, Fawzi Roberto (fawzi) authored 9 years ago
  
  811ab401
Jun 16, 2016
- remove PAW meta-info stuff for now · 266b1704
  Mikkel Strange authored 9 years ago
  
  266b1704
Jun 15, 2016
- add various x_gpaw_ meta info stuff · 84ca45f4
  Mikkel Strange authored 9 years ago
  
  84ca45f4
Jun 14, 2016
- spin pol test cases · 10a4a122
  Mikkel Strange authored 9 years ago
  
  10a4a122