Commits · 240da4e1fb7137a58eb7572493d68658d9e062d1 · nomad-lab / nomad-meta-info · GitLab

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
22 Feb, 2017 4 commits
- QE: temporaryly move fock-operator density cutoff to section_method (up until standard is defined) · 8cd6b293
  Henning Glawe authored Feb 22, 2017
  
  8cd6b293
- QE: remove code-specific density cutoff setting · 1a812030
  Henning Glawe authored Feb 22, 2017
```
parser now fixed to comply to standard
```
  1a812030
- QE: move sticks mesh info to section_method · 07aa7994
  Henning Glawe authored Feb 22, 2017
  
  07aa7994
- Added x_gamess_number_of_electrons as local metadata · 44702724
  Rosendo Valero Montero authored Feb 22, 2017
  
  44702724
14 Feb, 2017 1 commit
- fixed bug with atom positions · 78438bb8
  Pardini, Lorenzo (lopa) authored Feb 14, 2017
  
  78438bb8
13 Feb, 2017 7 commits
- fixing public, starting moving of inline allowed values to values attribute · dec0914b
  Mohamed, Fawzi Roberto (fawzi) authored Feb 13, 2017
  
  dec0914b
- indent fixes · 4da777af
  Mohamed, Fawzi Roberto (fawzi) authored Feb 13, 2017
  
  4da777af
- Added local_rotations. · 48116474
  Micael Oliveira authored Jan 23, 2017 and Mohamed, Fawzi Roberto (fawzi) committed Feb 13, 2017
  
  48116474
- Clarified the meaning of number_of_atoms and atom_positions for the case of alloys. · 533e68b4
  Micael Oliveira authored Jan 23, 2017 and Mohamed, Fawzi Roberto (fawzi) committed Feb 13, 2017
  
  533e68b4
- Added number_of_symmetry_operations, reduced_symmetry_matrices,... · d3c3b9e9
  Micael Oliveira authored Jan 23, 2017 and Mohamed, Fawzi Roberto (fawzi) committed Feb 13, 2017
```
Added number_of_symmetry_operations, reduced_symmetry_matrices, reduced_symmetry_translations, and time_reversal_symmetry.
```
  d3c3b9e9
- Added symmorphic · 86578424
  Micael Oliveira authored Jan 20, 2017 and Mohamed, Fawzi Roberto (fawzi) committed Feb 13, 2017
  
  86578424
- Supername for embedded_system should be configuration_core. · a3ad5789
  Micael Oliveira authored Jan 20, 2017 and Mohamed, Fawzi Roberto (fawzi) committed Feb 13, 2017
  
  a3ad5789