Commits · f63e5760b36abc674890bf23a4dad50f5edc541a · nomad-lab / parser-wien2k

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: convert units Ry -> J · 669d0889
  Daria Tomecka authored 8 years ago
  
  669d0889
Sep 23, 2016
- 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 12, 2016
- wien2k: added in1 and in2 parsers · 8ed2446a
  Daria Tomecka authored 8 years ago
  
  8ed2446a
Aug 11, 2016
- wien2k: parse in2c input file · 90c94f2a
  Daria Tomecka authored 8 years ago
  
  90c94f2a
Aug 10, 2016
- wien2k: parse in1c input file (rkmax, wf-switch) · b80890c3
  Daria Tomecka authored 8 years ago
  
  b80890c3
- 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 9 years ago
  
  e1d9f3cd
- sub parser for struct file · 2f3cc139
  Daria Tomecka authored 9 years ago
  
  2f3cc139