Commits · c8db4ed50ecba236852322ddbe5f2059663029b6 · nomad-lab / nomad-meta-info · GitLab

26 Jul, 2017 3 commits
- add meta-info for dos normalization · c8db4ed5
  Sastre, Alfonso (asastre) authored Jul 26, 2017
  
  c8db4ed5
- clarify that dos_values refer to the simulation cell. · 98782138
  Mohamed, Fawzi Roberto (fawzi) authored Jul 26, 2017
  
  98782138
- python-common: normalize_meta_info.py · d19d4a8b
  Mohamed, Fawzi Roberto (fawzi) authored Jul 26, 2017
  
  d19d4a8b
21 Jul, 2017 1 commit
- Merge branch 'AMBER-nomadmetainfo' into 'master' · 24e07343
  Berk Onat authored Jul 21, 2017
```
Addition of AMBER parser meta info

See merge request !4
```
  24e07343
20 Jul, 2017 2 commits
- Addition of AMBER parser meta info · e1740252
  Berk Onat authored Jul 20, 2017
  
  e1740252
- Addition of AMBER parser meta info · 9edb25f2
  Berk Onat authored Jul 20, 2017
  
  9edb25f2
19 Jul, 2017 1 commit
- fixing response_context · 67eaa968
  Simoes Brambila, Danilo (brambila) authored Jul 19, 2017
  
  67eaa968
17 Jul, 2017 2 commits
- stats_meta_length -> stats_meta_count · c2e0c3ca
  Mohamed, Fawzi Roberto (fawzi) authored Jul 17, 2017
  
  c2e0c3ca
- adding response context and messages · 80d6e180
  Mohamed, Fawzi Roberto (fawzi) authored Jul 17, 2017
  
  80d6e180
12 Jul, 2017 3 commits
- origin should be a 3d vector · 5f461388
  Ask Hjorth Larsen authored Jul 12, 2017
  
  5f461388
- typo fix · 4948c5a0
  Mohamed, Fawzi Roberto (fawzi) authored Jul 12, 2017
  
  4948c5a0
- update repository meta info · a7092459
  Mohamed, Fawzi Roberto (fawzi) authored Jul 12, 2017
  
  a7092459
11 Jul, 2017 2 commits
- Correcting the detecting of MD in aims to true. Correcting extra escape in public.nomadmetainfo · 240da4e1
  Simoes Brambila, Danilo (brambila) authored Jul 11, 2017
  
  240da4e1
- adding prototype_label metadata (result of classification by prototypes) · 33267b38
  Daria M. Tomecka authored Jul 11, 2017
  
  33267b38
05 Jul, 2017 3 commits
- link to wiki for full definition. As of this moment the page has not yet been created though · 80cd6dbd
  Ask Hjorth Larsen authored Jul 05, 2017
  
  80cd6dbd
- remove volumetric_data_units; plan is to document units for different kinds in the description text · af4554d4
  Ask Hjorth Larsen authored Jul 05, 2017
  
  af4554d4
- cell origin should be in metres · a9cc99bb
  Ask Hjorth Larsen authored Jul 05, 2017
  
  a9cc99bb
04 Jul, 2017 3 commits
- it would be nice to allow volumetric data in both input and output, but let us... · 18d7903a
  Ask Hjorth Larsen authored Jul 04, 2017
```
it would be nice to allow volumetric data in both input and output, but let us put it in output (single config calculation)
```
  18d7903a
- metadata for volumetric data. This allows storing 3d arrays (densities, potentials, ...) · dc8d43d5
  Ask Hjorth Larsen authored Jul 04, 2017
  
  dc8d43d5
- update repository meta info · 2ce21681
  Mohamed, Fawzi Roberto (fawzi) authored Jul 04, 2017
  
  2ce21681
28 Jun, 2017 1 commit
- adding meta info for cached values · 6a54eed9
  Mohamed, Fawzi Roberto (fawzi) authored Jun 29, 2017
  
  6a54eed9
13 Jun, 2017 1 commit
- adding species, and some stats and preindex meta info · 9f3c3d80
  Mohamed, Fawzi Roberto (fawzi) authored Jun 13, 2017
  
  9f3c3d80
06 Apr, 2017 3 commits
- Modification of section_springer_references · 64834b31
  Daria M. Tomecka authored Apr 06, 2017
  
  64834b31
- fhi_aims: improve basis parsing further · a4088c56
  Mohamed, Fawzi Roberto (fawzi) authored Apr 06, 2017
  
  a4088c56
- fhi-aims: improving basis set parsing · 5cd3d6f2
  Mohamed, Fawzi Roberto (fawzi) authored Apr 06, 2017
  
  5cd3d6f2
05 Apr, 2017 1 commit
- Updating Springer metadata · 975cd78e
  Daria M. Tomecka authored Apr 05, 2017
  
  975cd78e
28 Mar, 2017 1 commit
- added GW bandstructure · f6e7264d
  Pardini, Lorenzo (lopa) authored Mar 28, 2017
  
  f6e7264d
24 Mar, 2017 1 commit
- added few GW metadata · daaf0052
  Pardini, Lorenzo (lopa) authored Mar 24, 2017
  
  daaf0052
20 Mar, 2017 2 commits
- psedopotentials · 5d9cbfbe
  Mohamed, Fawzi Roberto (fawzi) authored Mar 20, 2017
  
  5d9cbfbe
- consider contexts sections · df1eb63a
  Mohamed, Fawzi Roberto (fawzi) authored Mar 20, 2017
  
  df1eb63a
13 Mar, 2017 1 commit
- normalization: logging, configuration_raw_gid, space group · 9d0b2277
  Mohamed, Fawzi Roberto (fawzi) authored Mar 13, 2017
  
  9d0b2277
09 Mar, 2017 1 commit
- added second order elastic constants · b2463c20
  Pardini, Lorenzo (lopa) authored Mar 09, 2017
  
  b2463c20
08 Mar, 2017 2 commits
- add upload_id (NOMAD repository ID for a single upload) · 24e02789
  Henning Glawe authored Mar 08, 2017
  
  24e02789
- there is no dataset_description in repository, so remove it from metaInfo... · aea8ff09
  Henning Glawe authored Mar 08, 2017
  
  aea8ff09
07 Mar, 2017 4 commits
- Merge branch 'repository_info' into 'master' · 8724b8f4
  Mohamed, Fawzi Roberto (fawzi) authored Mar 07, 2017
```
Repository info

See merge request !3
```
  8724b8f4
- move NOMAD repository metainfo to common · 52e19447
  Henning Glawe authored Mar 07, 2017
  
  52e19447
- add repository_pid repository_uri · 976df641
  Henning Glawe authored Mar 07, 2017
  
  976df641
- Merge branch 'master' into repository_info · a2ba826b
  Henning Glawe authored Mar 07, 2017
  
  a2ba826b
06 Mar, 2017 1 commit
- fixing labels · a6c49d06
  martina stella authored Mar 06, 2017
  
  a6c49d06
03 Mar, 2017 1 commit
- added elastic parser metainfo · a02948b6
  Pardini, Lorenzo (lopa) authored Mar 03, 2017
  
  a02948b6