Commits · 2a883c0bb555d9d515c9c432245b8b17f15f6a79 · nomad-lab / nomad-FAIR

29 Jun, 2020 2 commits
- Fixed XC functionals label in results list. · 2a883c0b
  Markus Scheidgen authored Jun 29, 2020
  
  2a883c0b
- Minor optimade fiexes. · 9280d34c
  Markus Scheidgen authored Jun 29, 2020
  
  9280d34c
18 Jun, 2020 12 commits
- Added _nmd_ properties to optimade. #325 #362 · db4cb204
  Markus Scheidgen authored Jun 18, 2020
  
  db4cb204
- Fixed missing optimade parameter in generated python code. #361 · f6443458
  Markus Scheidgen authored Jun 18, 2020
  
  f6443458
- Merge branch 'dos_fingerprints' into 'v0.8.1' · 9b078c7c
  Markus Scheidgen authored Jun 18, 2020
```
Dos fingerprints

See merge request !122
```
  9b078c7c
- Merge branch 'v0.8.1' into 'dos_fingerprints' · 33400544
  Markus Scheidgen authored Jun 18, 2020
```
# Conflicts:
#   nomad/normalizing/dos.py
```
  33400544
- Adapted consent in GUI for use of matomo. #199 · caa85577
  Markus Scheidgen authored Jun 18, 2020
  
  caa85577
- fix of wrong scaling of dos values for fingerprint · 2cf6c2cb
  Martin Kuban authored Jun 18, 2020
  
  2cf6c2cb
- Merge branch 'encyclopedia-api' into 'v0.8.1' · 2d723602
  Markus Scheidgen authored Jun 18, 2020
```
Encyclopedia api

See merge request !121
```
  2d723602
- Updated submodules. · 09f99fc7
  Lauri Himanen authored Jun 18, 2020
  
  09f99fc7
- Improved method detection in phonon processing. · 8c59081f
  Lauri Himanen authored Jun 18, 2020
  
  8c59081f
- Fixed formatting of Wyckoff set results. · ccee2e1a
  Lauri Himanen authored Jun 18, 2020
  
  ccee2e1a
- Added the number of total results on the material list page. · 66e49012
  Lauri Himanen authored Jun 18, 2020
  
  66e49012
- Fixed issue in archive file access. · 9d785f3f
  Lauri Himanen authored Jun 18, 2020
  
  9d785f3f
17 Jun, 2020 4 commits
- Fixed issue with returning Wyckoff sets. · 8a113b45
  Lauri Himanen authored Jun 17, 2020
  
  8a113b45
- Merge branch 'v0.8.1' into encyclopedia-api · 8138b618
  Lauri Himanen authored Jun 17, 2020
  
  8138b618
- Fixed typo and uncommented parts of the phonon processing. · 2e13e6bb
  Lauri Himanen authored Jun 17, 2020
  
  2e13e6bb
- Reinstated system type check in encyclopedia processing. · 85211963
  Lauri Himanen authored Jun 17, 2020
  
  85211963
16 Jun, 2020 1 commit

Fixed issues with method information not being correctly written for phonon... · deeab5a0

Lauri Himanen authored Jun 16, 2020

Fixed issues with method information not being correctly written for phonon calculations in case the referenced calculation had failed to be processed by encyclopedia.

deeab5a0

15 Jun, 2020 10 commits
- Minor fix of dos fingerprint exception handling. · c51b594d
  Markus Scheidgen authored Jun 15, 2020
  
  c51b594d
- Updated matomo config. · 28b99c9c
  Markus Scheidgen authored Jun 15, 2020
  
  28b99c9c
- Added dos fingerprints to dependencies. Minor liniting. · 4678766c
  Markus Scheidgen authored Jun 15, 2020
  
  4678766c
- Merge branch 'v0.8.1' into dos_fingerprints · 5f91b4c6
  Markus Scheidgen authored Jun 15, 2020
  
  5f91b4c6
- Minor change to tinker parser. · 48cb30ac
  Markus Scheidgen authored Jun 15, 2020
  
  48cb30ac
- Added config for matomo. · fc700da0
  Markus Scheidgen authored Jun 15, 2020
  
  fc700da0
- fixes for section_dos_fingerprint · 56439762
  Martin Kuban authored Jun 15, 2020
  
  56439762
- added meta-info section for DOS fingerprint · dbf6b623
  Martin Kuban authored Jun 15, 2020
  
  dbf6b623
- Added structures endpoint to optimade info. · a824d8d3
  Markus Scheidgen authored Jun 15, 2020
  
  a824d8d3
- Enabled simplified BS also for phonons. · 69b48c63
  Lauri Himanen authored Jun 15, 2020
  
  69b48c63
14 Jun, 2020 1 commit
- Reduced the size of the band structure data a bit. · 6bb5d617
  Lauri Himanen authored Jun 14, 2020
  
  6bb5d617
12 Jun, 2020 7 commits
- Changed info available version urls to versioned url in optimade. · 3ea07b94
  Markus Scheidgen authored Jun 12, 2020
  
  3ea07b94
- added fingerprints; WIP Quantity description; WIP documentation · 7e907d39
  Martin Kuban authored Jun 12, 2020
  
  7e907d39
- Minor fix after optimade python tools update. · cda22bf2
  Markus Scheidgen authored Jun 12, 2020
  
  cda22bf2
- Minor fixes. · 77a6e40c
  Markus Scheidgen authored Jun 12, 2020
  
  77a6e40c
- Fixed meta index db url in optimade. More consistent use of https in optimate urls. · 1923abd3
  Markus Scheidgen authored Jun 12, 2020
  
  1923abd3
- Fixed broken build due to conflicting extra_requires from optimade. · 91f85b02
  Markus Scheidgen authored Jun 12, 2020
  
  91f85b02
- Added the representative calculation selection as part of the /calculations route. · d9dc0b07
  Lauri Himanen authored Jun 12, 2020
  
  d9dc0b07
11 Jun, 2020 3 commits
- Manually added optimade python tools lark files to build. · b3f26d54
  Markus Scheidgen authored Jun 11, 2020
  
  b3f26d54
- Merge branch 'v0.8.1' of gitlab.mpcdf.mpg.de:nomad-lab/nomad-FAIR into v0.8.1 · 0b6d9d51
  Markus Scheidgen authored Jun 11, 2020
  
  0b6d9d51
- Adapted to new version of optimade-python-tools. · fae1fdc4
  Markus Scheidgen authored Jun 11, 2020
  
  fae1fdc4