Commits · master · nomad-lab / parser-atk

08 Jan, 2021 1 commit
- Added notes about supported .nc and not supported .hdf files. · 199a7322
  Markus Scheidgen authored Jan 08, 2021
  
  199a7322
11 Sep, 2020 1 commit
- Further update of README.md; mv metadata.yml -> metadata.yaml · cf4d76ad
  temok-mx authored Sep 11, 2020
  
  cf4d76ad
10 Sep, 2020 1 commit
- Updated README.md; added metadata.yml; the lead branch is now master, inactive branches became tags · 69907571
  temok-mx authored Sep 10, 2020
  
  69907571
20 Mar, 2020 1 commit
- Remove dependency on old metainfo. · 10f066f3
  Markus Scheidgen authored Mar 20, 2020
  
  10f066f3
19 Mar, 2020 1 commit
- Added metainfo python code. · cb91cdd8
  Markus Scheidgen authored Mar 19, 2020
  
  cb91cdd8
12 Aug, 2019 2 commits
- Try to use old and new SciPy version · 8e6def6b
  Markus Scheidgen authored Aug 12, 2019
  
  8e6def6b
- Quick fixes (due to different SciPy version?). Allow empty or unknown data. · 120d46e5
  Markus Scheidgen authored Aug 12, 2019
  
  120d46e5
14 Mar, 2019 1 commit
- Fixed name issue. · b03240e3
  Daniel Speckhard authored Mar 14, 2019
  
  b03240e3
13 Mar, 2019 1 commit
- FAIRD integration. · bab03a28
  Daniel Speckhard authored Mar 13, 2019
  
  bab03a28
20 Jul, 2018 1 commit
- Merge branch 'auto-license-info' into 'master' · 7974957f
  Markus Scheidgen authored Jul 20, 2018
```
Automatized changes to license and copyright information

See merge request nomad-lab/parser-atk!1
```
  7974957f
13 Jul, 2018 1 commit
- Added copyright statements and license. · 68f4d939
  Markus Scheidgen authored Jul 13, 2018
  
  68f4d939
25 Oct, 2017 1 commit
- license header for scala files · 7f32a878
  Mohamed, Fawzi Roberto (fawzi) authored Oct 26, 2017
  
  7f32a878
02 Oct, 2016 1 commit
- cleanup and some examples · 755fb2b6
  Mikkel Strange authored Oct 02, 2016
  
  755fb2b6
01 Oct, 2016 1 commit
- support for MolecularEnergySpectrum · b18c7828
  Mikkel Strange authored Oct 01, 2016
  
  b18c7828
30 Sep, 2016 1 commit
- small update · 4be5747a
  Mikkel Strange authored Sep 30, 2016
  
  4be5747a
29 Sep, 2016 9 commits
- smallf ix · 47a0a8f3
  Mikkel Strange authored Sep 29, 2016
  
  47a0a8f3
- split up libxc names in X and C if needed · 8b3a4a36
  Mikkel Strange authored Sep 29, 2016
  
  8b3a4a36
- cleanng up · 6debb5d0
  Mikkel Strange authored Sep 29, 2016
  
  6debb5d0
- removed · 627bebc8
  Mikkel Strange authored Sep 29, 2016
  
  627bebc8
- hmph · 09e8106a
  Mikkel Strange authored Sep 29, 2016
  
  09e8106a
- cleaning up in names · 05fee26f
  Mikkel Strange authored Sep 29, 2016
  
  05fee26f
- handle more than one calculator per file · ce619eff
  Mikkel Strange authored Sep 29, 2016
  
  ce619eff
- forgot to convert to SI units · 4d50deb8
  Mikkel Strange authored Sep 29, 2016
  
  4d50deb8
- forces and energies extracted from Analysis in ATK · 42a6cb6f
  Mikkel Strange authored Sep 29, 2016
  
  42a6cb6f
28 Sep, 2016 6 commits
- fix atkio2->atkio · dcc7da77
  Mikkel Strange authored Sep 28, 2016
  
  dcc7da77
- more polishing · ce58ded8
  Mikkel Strange authored Sep 28, 2016
  
  ce58ded8
- some polishing · 19ca5f00
  Mikkel Strange authored Sep 28, 2016
  
  19ca5f00
- activating gitlab tests · 855572a1
  Mohamed, Fawzi Roberto (fawzi) authored Sep 28, 2016
  
  855572a1
- adding scala wrapper · be65c918
  Mohamed, Fawzi Roberto (fawzi) authored Sep 28, 2016
```
currently checks only for netcdf files, should do better...
```
  be65c918
- parser.py -> parser_atk.py (use unique names in whole project) · 8ffad15c
  Mohamed, Fawzi Roberto (fawzi) authored Sep 28, 2016
  
  8ffad15c
20 Sep, 2016 1 commit
- nice updates · 4160bc2f
  Mikkel Strange authored Sep 20, 2016
  
  4160bc2f
18 Sep, 2016 3 commits
- there could be multiple calculators and configurations per file · eb425c9a
  Mikkel Strange authored Sep 18, 2016
  
  eb425c9a
- small changes · dc09cfb3
  Mikkel Strange authored Sep 18, 2016
  
  dc09cfb3
- now parsing calculatur input · ce3be585
  Mikkel Strange authored Sep 18, 2016
  
  ce3be585
17 Sep, 2016 2 commits
- Si band structure test and stress tensor test file · c920ffc7
  Mikkel Strange authored Sep 17, 2016
  
  c920ffc7
- atk bands parsing started · f1c6c3aa
  Mikkel Strange authored Sep 17, 2016
  
  f1c6c3aa
16 Sep, 2016 2 commits
- atk test files · 8d8d699f
  Mikkel Strange authored Sep 16, 2016
  
  8d8d699f
- atk parser · e08045bc
  Mikkel Strange authored Sep 16, 2016
  
  e08045bc
09 Sep, 2016 1 commit
- Add readme · 55e08795
  Mohamed, Fawzi Roberto (fawzi) authored Sep 09, 2016
  
  55e08795