Commits · master · nomad-lab / parser-big-dft

11 Sep, 2020 1 commit
- Further update of README.md; mv metadata.yml -> metadata.yaml · 5eb087b3
  temok-mx authored Sep 11, 2020
  
  5eb087b3
10 Sep, 2020 1 commit
- Updated README.md; added metadata.yml; the lead branch is now master, inactive branches became tags · 3db47ad5
  temok-mx authored Sep 10, 2020
  
  3db47ad5
19 Mar, 2020 1 commit
- Added metainfo python code. · e1a03db7
  Markus Scheidgen authored Mar 19, 2020
  
  e1a03db7
12 Aug, 2019 1 commit
- Fixed insufficient handling of atom positions. · 42b2b0ea
  Markus Scheidgen authored Aug 12, 2019
  
  42b2b0ea
05 Feb, 2019 2 commits
- Removing use of fairdi logging. · 4114f96b
  Daniel Speckhard authored Feb 05, 2019
  
  4114f96b
- Removed scala files. · 38d58bcb
  Daniel Speckhard authored Feb 05, 2019
  
  38d58bcb
08 Jan, 2019 3 commits
- Removed redundant files. · f89b3269
  Daniel Speckhard authored Jan 08, 2019
  
  f89b3269
- Restructured files to remove redundant folders. · 003edfdc
  Daniel Speckhard authored Jan 08, 2019
  
  003edfdc
- Added nomad-fair logging. · 1d8d8e17
  Daniel Speckhard authored Jan 08, 2019
  
  1d8d8e17
20 Jul, 2018 1 commit
- Merge branch 'auto-license-info' into 'master' · b1b03c89
  Markus Scheidgen authored Jul 20, 2018
```
Automatized changes to license and copyright information

See merge request !1
```
  b1b03c89
13 Jul, 2018 1 commit
- Added copyright statements and license. · 9c733b82
  Markus Scheidgen authored Jul 13, 2018
  
  9c733b82
25 Oct, 2017 1 commit
- license header for scala files · 87a12064
  Mohamed, Fawzi Roberto (fawzi) authored Oct 26, 2017
  
  87a12064
19 Oct, 2017 1 commit
- Simplified setup.py. · a9fb612c
  Lauri Himanen authored Oct 19, 2017
  
  a9fb612c
18 Oct, 2017 2 commits
- Merge branch 'master' of gitlab.mpcdf.mpg.de:nomad-lab/parser-big-dft · f27ce63d
  Lauri Himanen authored Oct 18, 2017
  
  f27ce63d
- Restructured the folders and files to use a common project structure, updated readme. · 3156aa6f
  Lauri Himanen authored Oct 18, 2017
  
  3156aa6f
27 Sep, 2017 1 commit
- fixing bigDFT detection (unescaped + in regexp) · 777d7231
  Mohamed, Fawzi Roberto (fawzi) authored Sep 27, 2017
  
  777d7231
18 Dec, 2016 1 commit
- fixing regexp to identify bigDFT files · fbdb8625
  Mohamed, Fawzi Roberto (fawzi) authored Dec 18, 2016
  
  fbdb8625
07 Dec, 2016 1 commit
- Added the JSON header and footer. · 54931005
  Lauri Himanen authored Dec 07, 2016
  
  54931005
02 Dec, 2016 8 commits
- Added a reference to the libxc list in the scala parser definition. · faa46a62
  Lauri Himanen authored Dec 02, 2016
  
  faa46a62
- Added support for the LibXC functional codes, now parsing energies and references. · 1d77c55e
  Lauri Himanen authored Dec 02, 2016
  
  1d77c55e
- Fixed folder naming. · d6b58204
  Lauri Himanen authored Dec 02, 2016
  
  d6b58204
- Fixed issue with importing the parser. · 5d3464b4
  Lauri Himanen authored Dec 02, 2016
  
  5d3464b4
- Renamed folder. · 04ffcc32
  Lauri Himanen authored Dec 02, 2016
  
  04ffcc32
- Removed additional letter V from test spec file. · 5437e08c
  Lauri Himanen authored Dec 02, 2016
  
  5437e08c
- Support for most basic metainfos, some XC functionals now supported, adding... · aa6df075
  Lauri Himanen authored Dec 02, 2016
```
Support for most basic metainfos, some XC functionals now supported, adding more. Added proper scala integration.
```
  aa6df075
- Added some basic metavalues, fixed issue with non-recursive parsing with pyyaml. · c45a92f9
  Lauri Himanen authored Dec 02, 2016
  
  c45a92f9
18 Nov, 2016 1 commit
- Now the YAML output of BigDFT is read one piece at a time. · ef591291
  Lauri Himanen authored Nov 18, 2016
  
  ef591291
11 Nov, 2016 2 commits
- First tests with parsing the YAML output of BigDFT, finally a sane parser output format. · 4dcb479c
  Lauri Himanen authored Nov 11, 2016
  
  4dcb479c
- Initial push with the correct code structure. · ea1ca62d
  Lauri Himanen authored Nov 11, 2016
  
  ea1ca62d
11 Aug, 2016 1 commit
- Add README · 4877388a
  Mohamed, Fawzi Roberto (fawzi) authored Aug 11, 2016
  
  4877388a