Commits · 31f9039c7b2b810975285ce577e5bbf591aaa7c1 · nomad-lab / nomad-meta-info

30 Jan, 2018 1 commit
- added forces and conv. thresh · 31f9039c
  Pardini, Lorenzo (lopa) authored Jan 30, 2018
  
  31f9039c
25 Jan, 2018 1 commit
- meta info for system type classification · 678864e1
  Ihrig, Arvid Conrad (ari) authored Jan 25, 2018
  
  678864e1
24 Jan, 2018 1 commit
- Added missing meta info names for Gromacs. · 8ec558a1
  Berk Onat authored Jan 24, 2018
  
  8ec558a1
23 Jan, 2018 2 commits
- changed x_exc_scf_energy_change · 59d1b04a
  Pardini, Lorenzo (lopa) authored Jan 23, 2018
  
  59d1b04a
- fixed section for x_exc_#_of_atoms · 30a7c819
  Pardini, Lorenzo (lopa) authored Jan 23, 2018
  
  30a7c819
22 Jan, 2018 2 commits
- Meta info change at NAMD parser for parameter files. · a39f39bb
  Berk Onat authored Jan 22, 2018
  
  a39f39bb
- Cleaning NAMD meta info file and add new meta info names · fb1ae76b
  Berk Onat authored Jan 22, 2018
  
  fb1ae76b
19 Jan, 2018 2 commits
- make source repeating · da949d99
  Mohamed, Fawzi Roberto (fawzi) authored Jan 20, 2018
  
  da949d99
- Fixing meta info super names: settings_interaction (_constraint) is in... · 85563dbb
  Berk Onat authored Jan 19, 2018
```
Fixing meta info super names: settings_interaction (_constraint) is in section_topology not in section_method. This was forces by settings_potential_energy_surface
```
  85563dbb
18 Jan, 2018 3 commits
- uploader and upload date to section_calculation_info · b1bb4a19
  Mohamed, Fawzi Roberto (fawzi) authored Jan 19, 2018
  
  b1bb4a19
- cleanup (normalization) · 8640ac65
  Mohamed, Fawzi Roberto (fawzi) authored Jan 19, 2018
  
  8640ac65
- Added meta info for NAMD parser · f566fa36
  Berk Onat authored Jan 18, 2018
  
  f566fa36
12 Jan, 2018 1 commit
- changed to Pa · 374107c0
  Pardini, Lorenzo (lopa) authored Jan 12, 2018
  
  374107c0
11 Jan, 2018 2 commits
- added system info + more · 675e9ce7
  Pardini, Lorenzo (lopa) authored Jan 11, 2018
  
  675e9ce7
- Merge branch 'symmetry_metainfo_rename' into 'master' · 9243a5ae
  Mohamed, Fawzi Roberto (fawzi) authored Jan 11, 2018
```
Symmetry metainfo renaming and restructuring.

See merge request !5
```
  9243a5ae
10 Jan, 2018 3 commits
- improve prototype info (section, aflow) · 83afa8e1
  Daria M. Tomecka authored Jan 10, 2018
  
  83afa8e1
- Some renamings. · 16f6fb87
  Lauri Himanen authored Jan 10, 2018
  
  16f6fb87
- Renaming and restructuring of the symmetry information. · 80aafeac
  Lauri Himanen authored Jan 10, 2018
  
  80aafeac
08 Jan, 2018 1 commit
- added fitting parameters · 0cd61d43
  Pardini, Lorenzo (lopa) authored Jan 08, 2018
  
  0cd61d43
07 Jan, 2018 2 commits
- Merge branch 'master' of gitlab.mpcdf.mpg.de:nomad-lab/nomad-meta-info · 3a029b99
  Lauri Himanen authored Jan 07, 2018
  
  3a029b99
- Removed the metainfo that is meant for the symmetry operations. This... · a59eb01d
  Lauri Himanen authored Jan 07, 2018
```
Removed the metainfo that is meant for the symmetry operations. This information is largely redundant (can be inferred from the space group number).
```
  a59eb01d
05 Jan, 2018 3 commits
- added section_strain_diagram and relative metadata · e22e6e76
  Pardini, Lorenzo (lopa) authored Jan 05, 2018
  
  e22e6e76
- parse_status as real metainfo · 0e229133
  Mohamed, Fawzi Roberto (fawzi) authored Jan 05, 2018
  
  0e229133
- metainfo normalization · 972caa2e
  Mohamed, Fawzi Roberto (fawzi) authored Jan 05, 2018
```
settings cleanup
```
  972caa2e
20 Dec, 2017 1 commit
- corrected definition of the matrices · 704ccce6
  Pardini, Lorenzo (lopa) authored Dec 20, 2017
  
  704ccce6
19 Dec, 2017 2 commits
- added 3rd order elastic constant matrix · dc139051
  Pardini, Lorenzo (lopa) authored Dec 19, 2017
  
  dc139051
- changed section to single_conf_calc · f8364d31
  Pardini, Lorenzo (lopa) authored Dec 19, 2017
  
  f8364d31
14 Dec, 2017 1 commit
- fixing springer meta info · e7f81448
  Mohamed, Fawzi Roberto (fawzi) authored Dec 14, 2017
  
  e7f81448
08 Dec, 2017 1 commit
- Fixed shape and type definitions in GROMACS meta data. · f44ad3ae
  Berk Onat authored Dec 08, 2017
  
  f44ad3ae
07 Dec, 2017 1 commit
- fixed incorrect type information in repository meta Info · 647f6185
  Ihrig, Arvid Conrad (ari) authored Dec 07, 2017
  
  647f6185
06 Dec, 2017 7 commits
- Moving repository specific meta data from common to repository json file · d009452f
  Berk Onat authored Dec 06, 2017
  
  d009452f
- Removing the forced dependency to repository specific metainfo in common. · d4521b42
  Berk Onat authored Dec 06, 2017
  
  d4521b42
- reordered repository meta-information, added info for previously missing ES-field mapping entries · 49a681c4
  Ihrig, Arvid Conrad (ari) authored Dec 06, 2017
  
  49a681c4
- renamed several metaInfo entries in the repository to match the ElasticSearch field mapping · 96c01684
  Ihrig, Arvid Conrad (ari) authored Dec 06, 2017
  
  96c01684
- moved Nomad Repository related metaInfo to a dedicated file · f28cdc7f
  Ihrig, Arvid Conrad (ari) authored Dec 06, 2017
```
-common has the new metaInfo file as a dependency
```
  f28cdc7f
- added information about vibrational analysis as Turbomole-specific meta-data · dc0f9849
  Ihrig, Arvid Conrad (ari) authored Nov 30, 2017
  
  dc0f9849
- reordered Turbomole metadata file · 73fecade
  Ihrig, Arvid Conrad (ari) authored Nov 29, 2017
  
  73fecade
04 Dec, 2017 3 commits
- Merge branch 'master' of gitlab.mpcdf.mpg.de:nomad-lab/nomad-meta-info · e581ddb7
  Martina Stella authored Dec 04, 2017
  
  e581ddb7
- Added metainfos for vdW settings. · 6ca092a8
  Lauri Himanen authored Nov 27, 2017
  
  6ca092a8
- added metadata for zero-point vibrations correction · b537bc91
  Ihrig, Arvid Conrad (ari) authored Nov 22, 2017
  
  b537bc91