Commits · master · nomad-lab / parser-charmm

11 Sep, 2020 1 commit
- Further update of README.md; mv metadata.yml -> metadata.yaml · 1dcadec2
  temok-mx authored Sep 11, 2020
  
  1dcadec2
10 Sep, 2020 1 commit
- Updated README.md; added metadata.yml; the lead branch is now master, inactive branches became tags · 4e2b218c
  temok-mx authored Sep 10, 2020
  
  4e2b218c
22 Jul, 2020 2 commits
- Merge branch 'nomad-fair-metainfo' of... · cc6c9545
  Markus Scheidgen authored Jul 22, 2020
```
Merge branch 'nomad-fair-metainfo' of https://gitlab.mpcdf.mpg.de/nomad-lab/parser-charmm into nomad-fair-metainfo
```
  cc6c9545
- Removed smart parser dep on old metainfo. · 10b8822e
  Markus Scheidgen authored Jul 22, 2020
  
  10b8822e
01 Jul, 2020 1 commit
- Fixed dependencies in setup.py that broke the install process. · 7decbdcf
  Markus Scheidgen authored Jul 01, 2020
  
  7decbdcf
04 Jun, 2020 1 commit
- Updated gitignore. · dc2b8d5a
  Markus Scheidgen authored Jun 04, 2020
  
  dc2b8d5a
12 May, 2020 1 commit
- Adapted to nomad-fair. · fb62433c
  Markus Scheidgen authored May 12, 2020
  
  fb62433c
04 May, 2020 1 commit
- Added more NOMAD parsers. · 7e8420af
  Markus Scheidgen authored May 04, 2020
  
  7e8420af
25 Jan, 2019 1 commit
- meta 2.0 changes, to fix · 94ea64b4
  Mohamed, Fawzi Roberto (fawzi) authored Jan 25, 2019
  
  94ea64b4
20 Jul, 2018 1 commit
- Merge branch 'auto-license-info' into 'master' · 5d3975fa
  Markus Scheidgen authored Jul 20, 2018
```
Automatized changes to license and copyright information

See merge request !1
```
  5d3975fa
13 Jul, 2018 1 commit
- Added copyright statements and license. · 8b2bc621
  Markus Scheidgen authored Jul 13, 2018
  
  8b2bc621
31 May, 2018 1 commit
- scalariform · 8183ecef
  Schneider, Markus (marks) authored May 31, 2018
  
  8183ecef
16 May, 2018 1 commit
- Make at least the enertest pass · e15abb8b
  Mohamed, Fawzi Roberto (fawzi) authored May 16, 2018
  
  e15abb8b
10 Apr, 2018 1 commit
- Adding restriction_uri info. · e1a54afa
  Berk Onat authored Apr 10, 2018
  
  e1a54afa
31 Mar, 2018 6 commits
- Corrections added for meta info · 4c4660c9
  Berk Onat authored Mar 31, 2018
  
  4c4660c9
- Cleaning the parser code · 68150645
  Berk Onat authored Mar 31, 2018
  
  68150645
- Fixed meta info name to be written. · 73c7a894
  Berk Onat authored Mar 31, 2018
  
  73c7a894
- Fixed meta info output for input/output files. · e54c4664
  Berk Onat authored Mar 31, 2018
  
  e54c4664
- Update tests for fast test runs. · 2616f459
  Berk Onat authored Mar 31, 2018
  
  2616f459
- Added LICENSE to CHARMm parser · 1ec3397d
  Berk Onat authored Mar 31, 2018
  
  1ec3397d
12 Mar, 2018 2 commits
- Merge branch 'master' of https://gitlab.mpcdf.mpg.de/nomad-lab/parser-charmm · efa4264c
  Berk Onat authored Mar 12, 2018
  
  efa4264c
- Added gitlab-ci.yml file · 4070a8b1
  Berk Onat authored Mar 12, 2018
  
  4070a8b1
08 Mar, 2018 1 commit
- Update README.md · 40981109
  Berk Onat authored Mar 08, 2018
  
  40981109
07 Mar, 2018 4 commits
- Added a missing comma in the scala list · e2131159
  Berk Onat authored Mar 07, 2018
  
  e2131159
- Added explicit command for coping metainfo file. · 36cbbc85
  Berk Onat authored Mar 07, 2018
  
  36cbbc85
- Fixed Scala code for tests · 91237c43
  Berk Onat authored Mar 07, 2018
  
  91237c43
- Correction of the test names in charmm parser · 7b6b8243
  Berk Onat authored Mar 07, 2018
  
  7b6b8243
06 Mar, 2018 2 commits
- Added license information for charmm tests. · 811d5cd7
  Berk Onat authored Mar 06, 2018
  
  811d5cd7
- Initial commit with full parser code. · 5261b29c
  Berk Onat authored Mar 06, 2018
  
  5261b29c