Commits · master · nomad-lab / parser-elk

11 Sep, 2020 1 commit
- Further update of README.md; mv metadata.yml -> metadata.yaml · 0ae8b95f
  temok-mx authored Sep 11, 2020
  
  0ae8b95f
10 Sep, 2020 1 commit
- Updated README.md; added metadata.yml; the lead branch is now master, inactive branches became tags · a4832d39
  temok-mx authored Sep 10, 2020
  
  a4832d39
20 Mar, 2020 1 commit
- Remove dependency on old metainfo. · 0a43285a
  Markus Scheidgen authored Mar 20, 2020
  
  0a43285a
19 Mar, 2020 1 commit
- Added metainfo python code. · a6dbd8ce
  Markus Scheidgen authored Mar 19, 2020
  
  a6dbd8ce
25 Mar, 2019 2 commits
- removed src and old parser files. · d08b1f7f
  Daniel Speckhard authored Mar 25, 2019
  
  d08b1f7f
- Added Elk Parser. · bdc67791
  Daniel Speckhard authored Mar 25, 2019
  
  bdc67791
20 Jul, 2018 1 commit
- Merge branch 'auto-license-info' into 'master' · c8966450
  Markus Scheidgen authored Jul 20, 2018
```
Automatized changes to license and copyright information

See merge request !1
```
  c8966450
13 Jul, 2018 1 commit
- Added copyright statements and license. · 7a865c28
  Markus Scheidgen authored Jul 13, 2018
  
  7a865c28
03 May, 2018 1 commit
- adapted headers · 7165d25b
  Pardini, Lorenzo (lopa) authored May 03, 2018
  
  7165d25b
19 Mar, 2018 1 commit
- added uploader-info.md · ad114cc8
  Pardini, Lorenzo (lopa) authored Mar 19, 2018
  
  ad114cc8
25 Oct, 2017 1 commit
- license header for scala files · 985c008d
  Mohamed, Fawzi Roberto (fawzi) authored Oct 26, 2017
  
  985c008d
17 Jun, 2017 1 commit
- corrections for older versions · b7cee85c
  Pardini, Lorenzo (lopa) authored Jun 17, 2017
  
  b7cee85c
24 Jan, 2017 1 commit
- fixed small bug with muffin tin · 6e23c6d0
  Pardini, Lorenzo (lopa) authored Jan 24, 2017
  
  6e23c6d0
08 Jan, 2017 1 commit
- Spin-polarized eigenvalues · c747ca46
  Pardini, Lorenzo (lopa) authored Jan 08, 2017
  
  c747ca46
07 Jan, 2017 1 commit
- fixed bug with simulation cell · 94986cef
  Pardini, Lorenzo (lopa) authored Jan 07, 2017
  
  94986cef
06 Jan, 2017 1 commit
- spin treatment · 3d89d9c2
  Pardini, Lorenzo (lopa) authored Jan 06, 2017
  
  3d89d9c2
30 Nov, 2016 1 commit
- Fixed the wrong parser name in test file. · 0decad86
  Lauri Himanen authored Nov 30, 2016
  
  0decad86
16 Nov, 2016 2 commits
- fixed bug with atom positions · d05af29c
  Pardini, Lorenzo (lopa) authored Nov 16, 2016
  
  d05af29c
- Fixed bug with total energy · 99a190a6
  Pardini, Lorenzo (lopa) authored Nov 16, 2016
  
  99a190a6
01 Nov, 2016 1 commit
- fixing elk eigenvalues dim · 4fedb990
  Mohamed, Fawzi Roberto (fawzi) authored Nov 01, 2016
  
  4fedb990
17 Oct, 2016 1 commit
- improving elk detection · 7d80941d
  Mohamed, Fawzi Roberto (fawzi) authored Oct 17, 2016
  
  7d80941d
13 Oct, 2016 2 commits
- fixed bug with energy_total · 7b562229
  Pardini, Lorenzo (lopa) authored Oct 13, 2016
  
  7b562229
- fixed bugs with atomic structure, total energy, xc functional · d20ec712
  Pardini, Lorenzo (lopa) authored Oct 13, 2016
  
  d20ec712
10 Oct, 2016 1 commit
- Fixed bug with eigenvalues · 4820d09d
  Pardini, Lorenzo (lopa) authored Oct 10, 2016
  
  4820d09d
30 Aug, 2016 1 commit
- fixed bug with xc funtional · 2c1d08a6
  Pardini, Lorenzo (lopa) authored Aug 30, 2016
  
  2c1d08a6
18 Aug, 2016 4 commits
- added eigvalOcc · 34960c29
  Pardini, Lorenzo (lopa) authored Aug 18, 2016
  
  34960c29
- added conversion for eigenvalues · f28469bb
  Pardini, Lorenzo (lopa) authored Aug 18, 2016
  
  f28469bb
- added eigval to backend · 3d35f1f3
  Pardini, Lorenzo (lopa) authored Aug 18, 2016
  
  3d35f1f3
- added parsing eigenvalues · f790bffa
  Pardini, Lorenzo (lopa) authored Aug 18, 2016
  
  f790bffa
10 Aug, 2016 1 commit
- added eigenvalues · cca3a16c
  Pardini, Lorenzo (lopa) authored Aug 10, 2016
  
  cca3a16c
08 Aug, 2016 2 commits
- dos + tests · d820a7fd
  Pardini, Lorenzo (lopa) authored Aug 08, 2016
  
  d820a7fd
- fixing scala wrapper, activating tests · 53870bbf
  Mohamed, Fawzi Roberto (fawzi) authored Aug 08, 2016
  
  53870bbf
04 Aug, 2016 3 commits
- added parser DOS · 97277a1d
  Pardini, Lorenzo (lopa) authored Aug 04, 2016
  
  97277a1d
- added scf iteration and final quantities · e5b8e50d
  Pardini, Lorenzo (lopa) authored Aug 04, 2016
  
  e5b8e50d
- added lapwmax · 456c8140
  Pardini, Lorenzo (lopa) authored Aug 04, 2016
  
  456c8140
03 Aug, 2016 4 commits
- added lattice vectors · acf800d5
  Pardini, Lorenzo (lopa) authored Aug 03, 2016
  
  acf800d5
- fixed small bug in the re · 14159f66
  Pardini, Lorenzo (lopa) authored Aug 03, 2016
  
  14159f66
- added brillouin zone metadata · 47683a29
  Pardini, Lorenzo (lopa) authored Aug 03, 2016
  
  47683a29
- 1st version: program name metadata · c475148e
  Pardini, Lorenzo (lopa) authored Aug 03, 2016
  
  c475148e
02 Aug, 2016 1 commit
- first skeleton for the elk parser · d422d711
  Mohamed, Fawzi Roberto (fawzi) authored Aug 02, 2016
  
  d422d711