Commits · 7f2a91517d5025a3d4a5686c7d4f1daa251e10dd · nomad-lab / nomad-FAIR

17 Sep, 2020 5 commits
- Merge branch 'dos_notebooks' into 'v1.0.0' · 7f2a9151
  Markus Scheidgen authored Sep 17, 2020
```
DOS analysis: added Jupyter notebook

See merge request !177
```
  7f2a9151
- Merge branch 'v1.0.0' into 'dos_notebooks' · 41936207
  Markus Scheidgen authored Sep 17, 2020
```
# Conflicts:
#   .gitignore
```
  41936207
- DOS analysis: added Jupyter notebook · be5c0f7c
  temok-mx authored Sep 17, 2020
  
  be5c0f7c
- Merge branch 'k8s-dbs' into 'v1.0.0' · 8366c966
  Markus Scheidgen authored Sep 17, 2020
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K8s dbs

See merge request !175
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  8366c966
- Update appBase in env.js · 6d706f5a
  Markus Scheidgen authored Sep 17, 2020
  
  6d706f5a
16 Sep, 2020 4 commits
- Merge branch 'workflow-fixes' into 'v1.0.0' · cdf35056
  Markus Scheidgen authored Sep 16, 2020
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Implemented fixes and tests to workflow

See merge request !174
```
  cdf35056
- Implemented fixes and tests to workflow · 84b3546d
  Alvin Noe Ladines authored Sep 16, 2020
  
  84b3546d
- Updated qcms labels. · a77d1e1f
  Markus Scheidgen authored Sep 16, 2020
  
  a77d1e1f
- Merge branch 'md-workflow' into 'v1.0.0' · 2ac8db01
  Markus Scheidgen authored Sep 16, 2020
```
Implemented new lammps parser

See merge request !173
```
  2ac8db01
15 Sep, 2020 8 commits
- Implemented new lammps parser · f16b3d09
  Alvin Noe Ladines authored Sep 15, 2020
  
  f16b3d09
- Fixed fixed length of histograms. · 65eed34b
  Markus Scheidgen authored Sep 15, 2020
  
  65eed34b
- Fixed DFTB+ name. · 5ce5c2c5
  Markus Scheidgen authored Sep 15, 2020
  
  5ce5c2c5
- Manually added parser metadata. · 52b669ce
  Markus Scheidgen authored Sep 15, 2020
  
  52b669ce
- Merged parser_readmes into v1.0.0. · 32ed3ed1
  Markus Scheidgen authored Sep 15, 2020
  
  32ed3ed1
- Fixed to QCMS data. · 10424cf2
  Markus Scheidgen authored Sep 15, 2020
  
  10424cf2
- Change working dir in parse command. · a76b2e47
  Markus Scheidgen authored Sep 15, 2020
  
  a76b2e47
- Updated workflow metadata to accomodate molecular dynamics. · 21e23d5c
  Markus Scheidgen authored Sep 15, 2020
  
  21e23d5c
14 Sep, 2020 13 commits
- Merge tag 'v0.8.9' into v1.0.0 · 39ec6027
  Markus Scheidgen authored Sep 14, 2020
  
  39ec6027
- Normalized some display value in highlevel GUI components. · b7094ba6
  Markus Scheidgen authored Sep 14, 2020
  
  b7094ba6
- Fixes to error processing error handling and not processed values. · 90611fbe
  Markus Scheidgen authored Sep 14, 2020
  
  90611fbe
- Fixed treatment of unavailable XC functional. · 75486af0
  Markus Scheidgen authored Sep 14, 2020
  
  75486af0
- Added GUI warning for using NOMAD test deployment. · ea29a7c9
  Markus Scheidgen authored Sep 14, 2020
  
  ea29a7c9
- Merge branch 'v0.8.9' into 'master' · 239a3bce
  Markus Scheidgen authored Sep 14, 2020
```
V0.8.9

See merge request !172
```
  239a3bce
- Merge branch 'parser-metadata' into 'v1.0.0' · 46b0271d
  Markus Scheidgen authored Sep 14, 2020
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Parser metadata

See merge request !171
```
  46b0271d
- Parser metadata · edd1febe
  Markus Scheidgen authored Sep 14, 2020
  
  edd1febe
- Added custom 404 error message for MP entries. · 9148e425
  Markus Scheidgen authored Sep 14, 2020
  
  9148e425
- Some improvements to the presentations of EMS data. · bd83d704
  Markus Scheidgen authored Sep 14, 2020
  
  bd83d704
- Use specifically set statistic size over len of statistic values. · 0aaef96d
  Markus Scheidgen authored Sep 07, 2020
  
  0aaef96d
- Fixed the node build image version. · e03ed9a4
  Markus Scheidgen authored Sep 07, 2020
  
  e03ed9a4
- Increased xc function statistics size because temporary additional... · fb9d37ad
  Markus Scheidgen authored Sep 07, 2020
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Increased xc function statistics size because temporary additional accedentally added functionls in index.
```
  fb9d37ad
11 Sep, 2020 8 commits
- Merge branch 'plotting' into 'v1.0.0' · be1be2fc
  Markus Scheidgen authored Sep 11, 2020
```
Added new components for plotting: Plot, DOS and BandStructure. The DOS and BS plots are now also integrated to the ArchiveBrowser where they are shown in the overview.

See merge request !169
```
  be1be2fc
- Added new components for plotting: Plot, DOS and BandStructure. The DOS and BS... · a133d368
  Lauri Himanen authored Sep 11, 2020 and Markus Scheidgen committed Sep 11, 2020
```
Added new components for plotting: Plot, DOS and BandStructure. The DOS and BS plots are now also integrated to the ArchiveBrowser where they are shown in the overview.
```
  a133d368
- Updated infrastructure docker-compose. · b771776f
  Markus Scheidgen authored Sep 11, 2020
  
  b771776f
- Added encyclopedia to GUI. · 5b9fc49c
  Markus Scheidgen authored Sep 11, 2020
  
  5b9fc49c
- Fixed bad POTCAR filter in RawFiles GUI view. · e3d1e9cb
  Markus Scheidgen authored Sep 11, 2020
  
  e3d1e9cb
- Minor changes to ops configs. [skip-ci] · 90b1efbb
  Markus Scheidgen authored Sep 11, 2020
  
  90b1efbb
- Added mongodb replicat set k8s config. [skip-ci] · 2cb57da1
  Markus Scheidgen authored Sep 10, 2020
  
  2cb57da1
- Updated parser readme after last refactoring. [skip-ci] · 566613e5
  Markus Scheidgen authored Sep 11, 2020
  
  566613e5
10 Sep, 2020 2 commits
- Merge branch 'search-relabeling' into 'v1.0.0' · dabf986f
  Markus Scheidgen authored Sep 10, 2020
```
Search relabeling

See merge request !168
```
  dabf986f
- Temporarily increased the statistics size for dft.searchable_quantities. This... · 72c5505c
  Lauri Himanen authored Sep 10, 2020 and Markus Scheidgen committed Sep 10, 2020
```
Temporarily increased the statistics size for dft.searchable_quantities. This can be reverted once the migration to new properties is finished.
```
  72c5505c