Commits · 72d62a64f00b16b8580aeaf041a791d98903fc99 · nomad-lab / nomad-meta-info

26 Jul, 2018 3 commits
- using metaInfoTool cascade... · 72d62a64
  Mohamed, Fawzi Roberto (fawzi) authored Jul 26, 2018
  
  72d62a64
- enact renames · f459e98b
  Mohamed, Fawzi Roberto (fawzi) authored Jul 26, 2018
  
  f459e98b
- renames reverted · 5952bcba
  Mohamed, Fawzi Roberto (fawzi) authored Jul 26, 2018
  
  5952bcba
12 Jul, 2018 1 commit
- converted also common to new format · 8609f250
  Mohamed, Fawzi Roberto (fawzi) authored Jul 13, 2018
  
  8609f250
28 Jun, 2018 4 commits
- adding reference to section_constraints · 4f5db678
  Adam Fekete authored Apr 29, 2018
  
  4f5db678
- rearranging the modifications · 0f78e215
  Adam Fekete authored Apr 27, 2018
  
  0f78e215
- typo, restructuring, new section_group · 4e4a6f3a
  Adam Fekete authored Apr 27, 2018
  
  4e4a6f3a
- all the changes according to last meeting in Berlin · aa7261ee
  Adam Fekete authored Apr 25, 2018
  
  aa7261ee
29 Apr, 2018 1 commit
- adding reference to section_constraints · cd58a4f3
  Adam Fekete authored Apr 29, 2018
  
  cd58a4f3
27 Apr, 2018 2 commits
- rearranging the modifications · 522d0e25
  Adam Fekete authored Apr 27, 2018
  
  522d0e25
- typo, restructuring, new section_group · 61e88cb2
  Adam Fekete authored Apr 27, 2018
  
  61e88cb2
25 Apr, 2018 1 commit
- all the changes according to last meeting in Berlin · 4ddc40b1
  Adam Fekete authored Apr 25, 2018
  
  4ddc40b1
02 Feb, 2018 1 commit
- added gw bandgap, frequencies and more · febbedaf
  Pardini, Lorenzo (lopa) authored Feb 02, 2018
  
  febbedaf
19 Jan, 2018 1 commit

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

05 Jan, 2018 1 commit
- metainfo normalization · 972caa2e
  Mohamed, Fawzi Roberto (fawzi) authored Jan 05, 2018
```
settings cleanup
```
  972caa2e
06 Dec, 2017 4 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
- 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
24 Oct, 2017 1 commit
- added gw metadata in common · 92782787
  Pardini, Lorenzo (lopa) authored Oct 24, 2017
  
  92782787
10 Oct, 2017 1 commit
- Revert "consolidating name to cell dependent" · e08f0c78
  Mohamed, Fawzi Roberto (fawzi) authored Oct 10, 2017
```
Change will be done in a coodinated way later

This reverts commit 01c58824.
```
  e08f0c78
28 Sep, 2017 1 commit
- consolidating name to cell dependent · 01c58824
  Mohamed, Fawzi Roberto (fawzi) authored Sep 28, 2017
  
  01c58824
27 Sep, 2017 1 commit
- first attempt for a soap meta info · 0e16145d
  Mohamed, Fawzi Roberto (fawzi) authored Sep 27, 2017
  
  0e16145d
19 Sep, 2017 1 commit
- common: adding repository_nomad_uri and repository_archive_gid · 28d95da1
  Mohamed, Fawzi Roberto (fawzi) authored Aug 20, 2017
  
  28d95da1
07 Sep, 2017 1 commit
- added metadata used by the ElasticSearch engine for the Nomad repository · 8243fb8f
  Ihrig, Arvid Conrad (ari) authored Sep 07, 2017
  
  8243fb8f
11 Aug, 2017 1 commit
- repo fixes: moving section_repository_info to root (i.e. calculation_context) · b6ca5c46
  Mohamed, Fawzi Roberto (fawzi) authored Aug 11, 2017
  
  b6ca5c46
19 Jul, 2017 1 commit
- fixing response_context · 67eaa968
  Simoes Brambila, Danilo (brambila) authored Jul 19, 2017
  
  67eaa968
17 Jul, 2017 1 commit
- adding response context and messages · 80d6e180
  Mohamed, Fawzi Roberto (fawzi) authored Jul 17, 2017
  
  80d6e180
12 Jul, 2017 1 commit
- update repository meta info · a7092459
  Mohamed, Fawzi Roberto (fawzi) authored Jul 12, 2017
  
  a7092459
04 Jul, 2017 1 commit
- update repository meta info · 2ce21681
  Mohamed, Fawzi Roberto (fawzi) authored Jul 04, 2017
  
  2ce21681
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 1 commit
- move NOMAD repository metainfo to common · 52e19447
  Henning Glawe authored Mar 07, 2017
  
  52e19447
19 Jan, 2017 1 commit
- Added metadata for excited states. · fe811a33
  Micael Oliveira authored Jan 19, 2017
  
  fe811a33
25 Oct, 2016 1 commit
- move DFT+U common definitions from FPLO to dft_plus_u_ common namespace · 87d00bd2
  Henning Glawe authored Oct 25, 2016
  
  87d00bd2
18 Oct, 2016 1 commit
- common: define single-particle energy reference points also for scf_iteration · 261db6a9
  Henning Glawe authored Oct 18, 2016
  
  261db6a9
06 Aug, 2016 2 commits

add common metaInfo for number of electrons in system · 76e2c268
Henning Glawe authored Aug 06, 2016

76e2c268

add common metaInfo for single-particle state reference energies · 1927a773

Henning Glawe authored Aug 06, 2016

In metals, or when smearing is applied to occupations:
energy_reference_fermi             - Fermi energy

In insulators or finite systems:
energy_reference_highest_occupied  - HOMO energy
energy_reference_lowest_unoccupied - LUMO energy

1927a773

17 May, 2016 1 commit
- fixing renames, basic changes · f3c880d3
  Mohamed, Fawzi Roberto (fawzi) authored May 17, 2016
  
  f3c880d3
18 Apr, 2016 1 commit
- Rename section_system_description to section_system and other name changes... · b5fea181
  Mohamed, Fawzi Roberto (fawzi) authored Apr 18, 2016
```
Rename section_system_description to section_system and other name changes like to section_basis_set_cell_dependent
```
  b5fea181