Commits · 628e4b333004ffa7636b70a99b13efea606119e1 · nomad-lab / parser-wien2k

25 Mar, 2019 1 commit
- fixed float regex. · 628e4b33
  Daniel Speckhard authored Mar 25, 2019
  
  628e4b33
10 Feb, 2019 1 commit
- Removed scala files. · 7547643f
  Daniel Speckhard authored Feb 10, 2019
  
  7547643f
05 Feb, 2019 1 commit
- removed setup_logged method. · 03899751
  Daniel Speckhard authored Feb 05, 2019
  
  03899751
31 Jan, 2019 3 commits
- Fixed typos in setup.py · f63e5760
  Daniel Speckhard authored Jan 31, 2019
  
  f63e5760
- Adding wien2k to nomad-fair · 939e1942
  Daniel Speckhard authored Jan 31, 2019
  
  939e1942
- Modified wien2k to fit into nomad-fair. · 8b499886
  Daniel Speckhard authored Jan 31, 2019
  
  8b499886
04 Jan, 2019 1 commit
- Adopting wien2k parser to NOMAD-FAIR · 45edbd90
  Popov, Igor (igop) authored Jan 04, 2019
  
  45edbd90
23 Nov, 2018 2 commits
- remove commented periodic dimensions · f768736e
  Tomecka, Daria M. (datom) authored Nov 23, 2018
  
  f768736e
- remove duplicated periodic dimensions · 469ace4d
  Daria M. Tomecka authored Nov 23, 2018
  
  469ace4d
20 Jul, 2018 1 commit

Merge branch 'auto-license-info' into 'master' · f7845a9f

Markus Scheidgen authored Jul 20, 2018

Automatized changes to license and copyright information

See merge request nomad-lab/parser-wien2k!1

f7845a9f

13 Jul, 2018 1 commit
- Added copyright statements and license. · 9e5f6966
  Markus Scheidgen authored Jul 13, 2018
  
  9e5f6966
26 Apr, 2018 1 commit
- adapt copyright header · 0313048f
  Daria M. Tomecka authored Apr 26, 2018
  
  0313048f
16 Apr, 2018 1 commit
- add copyrights information · 05d038c5
  Daria M. Tomecka authored Apr 16, 2018
  
  05d038c5
11 Apr, 2018 1 commit
- added support for older wien2k versions · b3ecd039
  Pardini, Lorenzo (lopa) authored Apr 11, 2018
  
  b3ecd039
09 Jan, 2018 1 commit
- added configuration_periodic_dimensions · 8086a2af
  Pardini, Lorenzo (lopa) authored Jan 09, 2018
  
  8086a2af
25 Oct, 2017 1 commit
- license header for scala files · 6fa92eae
  Mohamed, Fawzi Roberto (fawzi) authored Oct 26, 2017
  
  6fa92eae
16 May, 2017 1 commit
- adding license header · 8644010a
  Daria Tomecka authored May 16, 2017
  
  8644010a
06 Nov, 2016 1 commit
- wien2k: update · ac52c102
  Daria Tomecka authored Nov 06, 2016
  
  ac52c102
03 Oct, 2016 1 commit
- wien2k: update of units and atom positions · cde754b3
  Daria Tomecka authored Oct 03, 2016
  
  cde754b3
29 Sep, 2016 2 commits
- wien2k: convert units Ry -> J · 669d0889
  Daria Tomecka authored Sep 29, 2016
  
  669d0889
- wien2k: erase one typo (:) · 265677c4
  Daria Tomecka authored Sep 29, 2016
  
  265677c4
23 Sep, 2016 2 commits
- wien2k: errata - section_XC · a9a95ab1
  Daria Tomecka authored Sep 23, 2016
  
  a9a95ab1
- wien2k: adding missing metainfo · 268e1923
  Daria Tomecka authored Sep 23, 2016
  
  268e1923
06 Sep, 2016 1 commit
- wien2k: cleanup · 241ad2b3
  Daria Tomecka authored Sep 06, 2016
  
  241ad2b3
03 Sep, 2016 1 commit
- wien2k: parse density for atom xx at the nucleus (first radial mesh point) :RTO, :CHA, CHAxxx · 6cdaccbe
  Daria Tomecka authored Sep 03, 2016
  
  6cdaccbe
30 Aug, 2016 1 commit
- Update .gitlab-ci.yml · 743ba8f9
  Daria M. Tomecka authored Aug 30, 2016
  
  743ba8f9
27 Aug, 2016 1 commit
- wien2k: add XC-functionals map · e9fe263f
  Daria Tomecka authored Aug 28, 2016
  
  e9fe263f
25 Aug, 2016 1 commit
- wien2k: update smearing_width and smearing_kind · 551dbf65
  Daria Tomecka authored Aug 25, 2016
  
  551dbf65
19 Aug, 2016 3 commits
- wien2k: parse number of electrons · c6506b94
  Daria Tomecka authored Aug 19, 2016
  
  c6506b94
- wien2k: fix double :GMA appearance · 54437c1d
  Daria Tomecka authored Aug 19, 2016
  
  54437c1d
- wien2k: add potential and charge cut-off · 3ac6eadf
  Daria Tomecka authored Aug 19, 2016
  
  3ac6eadf
17 Aug, 2016 2 commits
- wien2k: parse total charges in spheres (new (not mixed) from LAPW2+LCORE) · 6093eaeb
  Daria Tomecka authored Aug 17, 2016
  
  6093eaeb
- Update .gitlab-ci.yml; add allow to fail · 25b3f2b1
  Daria M. Tomecka authored Aug 17, 2016
  
  25b3f2b1
15 Aug, 2016 2 commits
- wien2k: fix parsing sequence · c0287a93
  Daria Tomecka authored Aug 15, 2016
  
  c0287a93
- fixing atom labels · 884d4ba9
  Mohamed, Fawzi Roberto (fawzi) authored Aug 15, 2016
```
content of a cached section is always a list and we created a list of lists
instead of a plain list
```
  884d4ba9
12 Aug, 2016 4 commits
- Update Wien2kParser.scala · 37fe04f3
  Daria M. Tomecka authored Aug 12, 2016
  
  37fe04f3
- wien2k: added in1 and in2 parsers · 8ed2446a
  Daria Tomecka authored Aug 12, 2016
  
  8ed2446a
- Replace Wien2kParser.scala · 41b6882e
  Daria M. Tomecka authored Aug 12, 2016
  
  41b6882e
- wien2k: updates and parsing charge distances between two interations · 18e0afb0
  Daria Tomecka authored Aug 12, 2016
  
  18e0afb0
11 Aug, 2016 1 commit
- wien2k: parse in2c input file · 90c94f2a
  Daria Tomecka authored Aug 11, 2016
  
  90c94f2a