Commits · cf3ddce82613f98598b2df366095741cb53d2daa · nomad-lab / parser-gpaw

12 Jul, 2017 1 commit
- fix for new ulm reader · cf3ddce8
  Mikkel Strange authored Jul 12, 2017
  
  cf3ddce8
04 Jul, 2017 1 commit
- recognize ulm fileformat · bc6a61ab
  Mikkel Strange authored Jul 04, 2017
  
  bc6a61ab
28 Sep, 2016 1 commit
- python3 and some polishing · b0638bd7
  Mikkel Strange authored Sep 28, 2016
  
  b0638bd7
27 Sep, 2016 2 commits
- forgot versions.py · 49f29713
  Mikkel Strange authored Sep 27, 2016
  
  49f29713
- estimating program version from the fileversion number · 14255323
  Mikkel Strange authored Sep 27, 2016
  
  14255323
23 Sep, 2016 1 commit
- scalariform · 3bd2e794
  Mohamed, Fawzi Roberto (fawzi) authored Sep 23, 2016
  
  3bd2e794
22 Sep, 2016 1 commit
- x_gpaw stuff · 3a9bdd8f
  Mikkel Strange authored Sep 22, 2016
  
  3a9bdd8f
21 Sep, 2016 2 commits
- need a new section_xc_functional for each part of xc · c062bdd1
  Mikkel Strange authored Sep 21, 2016
  
  c062bdd1
- xc name seperated out in x and c parts · 42ac20c6
  Mikkel Strange authored Sep 21, 2016
  
  42ac20c6
17 Sep, 2016 2 commits
- help needed to identity file in scala, comment on how to do it in python added · d9c3b9f4
  Mikkel Strange authored Sep 17, 2016
  
  d9c3b9f4
- for new aff fileformat · 66f3f805
  Mikkel Strange authored Sep 17, 2016
  
  66f3f805
16 Sep, 2016 4 commits
- forgot ) · 832bffea
  Mikkel Strange authored Sep 16, 2016
  
  832bffea
- band structure functionality added · c008bc2d
  Mikkel Strange authored Sep 16, 2016
  
  c008bc2d
- test files of new gpw format (aff) · 2178ccd8
  Mikkel Strange authored Sep 16, 2016
  
  2178ccd8
- parser for new type (aff) GPAW output files · b639b34c
  Mikkel Strange authored Sep 16, 2016
  
  b639b34c
14 Sep, 2016 2 commits
- added one more test | Fe pw and spinpol · 9f96d449
  Mikkel Strange authored Sep 14, 2016
  
  9f96d449
- pw spelling error · e2c577ce
  Mikkel Strange authored Sep 14, 2016
  
  e2c577ce
13 Sep, 2016 2 commits
- relativity method · 1b55a519
  Mikkel Strange authored Sep 13, 2016
  
  1b55a519
- restructuring a bit · 30dbcec9
  Mikkel Strange authored Sep 13, 2016
  
  30dbcec9
12 Sep, 2016 1 commit
- added · 2b48358d
  Mikkel Strange authored Sep 12, 2016
  
  2b48358d
23 Jun, 2016 2 commits
- Change variable name from python2Exe to pythonExe · e215d5d0
  ankit kariryaa authored Jun 23, 2016
  
  e215d5d0
- Add test env for python2 (python3 is te default now) · 1123860e
  ankit kariryaa authored Jun 23, 2016
  
  1123860e
21 Jun, 2016 1 commit
- python3: futurize stage2 · 0407f0f2
  Mohamed, Fawzi Roberto (fawzi) authored Jun 21, 2016
  
  0407f0f2
20 Jun, 2016 2 commits
- added a few meta infos missing · 2135e586
  Mikkel Strange authored Jun 20, 2016
  
  2135e586
- python3: futurize stage1 · 811ab401
  Mohamed, Fawzi Roberto (fawzi) authored Jun 20, 2016
  
  811ab401
16 Jun, 2016 1 commit
- remove PAW meta-info stuff for now · 266b1704
  Mikkel Strange authored Jun 16, 2016
  
  266b1704
15 Jun, 2016 1 commit
- add various x_gpaw_ meta info stuff · 84ca45f4
  Mikkel Strange authored Jun 15, 2016
  
  84ca45f4
14 Jun, 2016 2 commits
- spin pol test cases · 10a4a122
  Mikkel Strange authored Jun 14, 2016
  
  10a4a122
- include info on spin · acfef610
  Mikkel Strange authored Jun 14, 2016
  
  acfef610
13 Jun, 2016 5 commits
- added py file · f202bd31
  Mikkel Strange authored Jun 13, 2016
  
  f202bd31
- removing blank lines... · 0fbaf7c2
  Mikkel Strange authored Jun 13, 2016
  
  0fbaf7c2
- change to libxc naming · 10af0b92
  Mikkel Strange authored Jun 13, 2016
  
  10af0b92
- conv internal xc names to libxc names · 9175fb03
  Mikkel Strange authored Jun 13, 2016
  
  9175fb03
- small update · cf3d6a83
  Mikkel Strange authored Jun 13, 2016
  
  cf3d6a83
19 May, 2016 1 commit
- quick fix for eigenvalues · a3c657e0
  Mohamed, Fawzi Roberto (fawzi) authored May 20, 2016
```
eigenvalues_kpoints looks strange, is it correct?
```
  a3c657e0
17 May, 2016 2 commits
- more renames from web_public · 05116df7
  Mohamed, Fawzi Roberto (fawzi) authored May 17, 2016
  
  05116df7
- applying obvious metadata renames · 506e2d67
  Mohamed, Fawzi Roberto (fawzi) authored May 17, 2016
```
section_system_description -> section_system
cell_associated -> cell_dependent
```
  506e2d67
28 Apr, 2016 1 commit
- Add nomad meta info version and update ci script · a19e12ff
  ankit kariryaa authored Apr 28, 2016
  
  a19e12ff
15 Apr, 2016 1 commit
- adding public.nomadmetainfo · e5d107e8
  Mohamed, Fawzi Roberto (fawzi) authored Apr 15, 2016
  
  e5d107e8
30 Mar, 2016 1 commit
- scalariform · f54c4668
  Mohamed, Fawzi Roberto (fawzi) authored Mar 30, 2016
  
  f54c4668