Commits · 6007fb8dc88b225e42baaf9725867c9ed0caf257 · nomad-lab / parser-wien2k

Mar 19, 2020
- Added metainfo python code. · 02386cdf
  Markus Scheidgen authored 5 years ago
  
  02386cdf
Jan 04, 2019
- Adopting wien2k parser to NOMAD-FAIR · 45edbd90
  Popov, Igor (igop) authored 6 years ago
  
  45edbd90
Apr 26, 2018
- adapt copyright header · 0313048f
  Daria M. Tomecka authored 7 years ago
  
  0313048f
Apr 16, 2018
- add copyrights information · 05d038c5
  Daria M. Tomecka authored 7 years ago
  
  05d038c5
Sep 29, 2016
- wien2k: erase one typo (:) · 265677c4
  Daria Tomecka authored 8 years ago
  
  265677c4
Sep 23, 2016
- wien2k: errata - section_XC · a9a95ab1
  Daria Tomecka authored 8 years ago
  
  View commits for tag 1.1.0 1.1.0
  
  a9a95ab1
- wien2k: adding missing metainfo · 268e1923
  Daria Tomecka authored 8 years ago
  
  268e1923
Aug 27, 2016
- wien2k: add XC-functionals map · e9fe263f
  Daria Tomecka authored 8 years ago
  
  e9fe263f
Aug 10, 2016
- wien2k: parsing in0 input file · f22d7a81
  Daria Tomecka authored 8 years ago
  
  f22d7a81
- wien2k: add number of k-points and in0 input file · 60a2a47f
  Daria Tomecka authored 8 years ago
  
  60a2a47f
Aug 02, 2016
- wien2k: parsing from struct rmt, npt, r0, noneq.atoms · aae1c78e
  Daria Tomecka authored 8 years ago
  
  aae1c78e
Jul 31, 2016
- parse unit cell parameters and angles · 9bb88801
  Daria Tomecka authored 8 years ago
  
  9bb88801
Jul 30, 2016
- parsing calculation mode from struct · ac7512e0
  Daria Tomecka authored 8 years ago
  
  ac7512e0
Jul 27, 2016
- parsing atom positions from struct · e1d9f3cd
  Daria Tomecka authored 8 years ago
  
  e1d9f3cd
- sub parser for struct file · 2f3cc139
  Daria Tomecka authored 8 years ago
  
  2f3cc139