Commits · 63005fe2f868461ba3d92dec71e0b599cea6cc4d · nomad-lab / nomad-FAIR

28 Mar, 2020 1 commit
- Fixed bad nomad-meta-info commit · 63005fe2
  Markus Scheidgen authored Mar 28, 2020
  
  63005fe2
25 Mar, 2020 5 commits
- Merge branch 'encyclopedia' into 'v0.7.10' · ce2b4e01
  Markus Scheidgen authored Mar 25, 2020
```
First version of EncyclopediaNormalizer

See merge request !102
```
  ce2b4e01
- Merged with v0.7.10. · d2c1d7a9
  Lauri Himanen authored Mar 25, 2020
  
  d2c1d7a9
- Updated the exception messages for missing basis set information. · 7e719534
  Lauri Himanen authored Mar 25, 2020
  
  7e719534
- Removed eels submodule again. · 74195402
  Markus Scheidgen authored Mar 25, 2020
  
  74195402
- Fix for racecondition during tests. #301 · f9191b1f
  Markus Scheidgen authored Mar 25, 2020
  
  f9191b1f
24 Mar, 2020 4 commits
- Fixed imports. · 2d7d0b1b
  Lauri Himanen authored Mar 24, 2020
  
  2d7d0b1b
- Split the EncyclopediaNormalizer into meaningful submodules, added new module... · 1446182e
  Lauri Himanen authored Mar 24, 2020
```
Split the EncyclopediaNormalizer into meaningful submodules, added new module atomutils.py at root level: contains utilities for atomistic data that are used across normalizers and possibly parsers.
```
  1446182e
- Removed duplicate metainfo from Encyclopedia MI2. · daffd20a
  Lauri Himanen authored Mar 24, 2020
  
  daffd20a
- Renamed RunType to Calculation. · 2c0600e8
  Lauri Himanen authored Mar 24, 2020
  
  2c0600e8
23 Mar, 2020 3 commits
- Updated gaussian parser. · 200a8a77
  Markus Scheidgen authored Mar 23, 2020
  
  200a8a77
- Merged with v0.7.10. · a8d87988
  Lauri Himanen authored Mar 23, 2020
  
  a8d87988
- Restructured Encyclopedia metainfo. · 2807136c
  Lauri Himanen authored Mar 23, 2020
  
  2807136c
20 Mar, 2020 2 commits
- Updated some metainfo names, fixed issue with Section name not being used. · 713797b7
  Lauri Himanen authored Mar 20, 2020
  
  713797b7
- Updated gaussian parser. · 47888c08
  Markus Scheidgen authored Mar 20, 2020
  
  47888c08
19 Mar, 2020 1 commit
- Updated gaussian. · 350a16b8
  Markus Scheidgen authored Mar 19, 2020
  
  350a16b8
17 Mar, 2020 2 commits
- Fixed elasticsearch python module versions. · eba41f94
  Markus Scheidgen authored Mar 17, 2020
  
  eba41f94
- Updated some parser versions. · e3c8c321
  Markus Scheidgen authored Mar 17, 2020
  
  e3c8c321
16 Mar, 2020 1 commit
- Simplified logging a bit. · 51fc95b8
  Lauri Himanen authored Mar 16, 2020
  
  51fc95b8
13 Mar, 2020 7 commits
- Added the dsl dependence. · 573854da
  Lauri Himanen authored Mar 13, 2020
  
  573854da
- Fixed wrong package name. · cf9827b3
  Lauri Himanen authored Mar 13, 2020
  
  cf9827b3
- Trying to fix elasticsearch-dsl version a bit higher up in the dependency list. · fd74a426
  Lauri Himanen authored Mar 13, 2020
  
  fd74a426
- Testing if the scroll parameter is invalid in tests. · e6e59345
  Lauri Himanen authored Mar 13, 2020
  
  e6e59345
- Encountering another weird CI error. Testing if the elasticsearch package is causing it. · a564c77b
  Lauri Himanen authored Mar 13, 2020
  
  a564c77b
- Added timing for EncyclopediaNormalizer. · 53b675f3
  Lauri Himanen authored Mar 13, 2020
  
  53b675f3
- Fixed vacuum gap and periodicity detection for 2D and 1D systems. · 3f3130f0
  Lauri Himanen authored Mar 13, 2020
  
  3f3130f0
12 Mar, 2020 3 commits
- Added more structure log output for easier monitoring. · 82efe21c
  Lauri Himanen authored Mar 12, 2020
  
  82efe21c
- Merge branch 'ujsonfix' into 'v0.7.10' · b3150b61
  Markus Scheidgen authored Mar 12, 2020
```
Temporary fix to ujson

See merge request !101
```
  b3150b61
- Fixed ujson version to 1.35 for now. The newest version 2.0.1 seems to be... · d183f6ac
  Lauri Himanen authored Mar 12, 2020 and Markus Scheidgen committed Mar 12, 2020
```
Fixed ujson version to 1.35 for now. The newest version 2.0.1 seems to be broken as it fails to encode some things that were not a problem before.
```
  d183f6ac
11 Mar, 2020 10 commits
- Merge branch 'ujsonfix' into encyclopedia · e1e59adb
  Lauri Himanen authored Mar 11, 2020
  
  e1e59adb
- Merge branch 'docupdate' into ujsonfix · c345851b
  Lauri Himanen authored Mar 11, 2020
  
  c345851b
- Fixed ujson version to 1.35 for now. The newest version 2.0.1 seems to be... · 8bd619a9
  Lauri Himanen authored Mar 11, 2020
```
Fixed ujson version to 1.35 for now. The newest version 2.0.1 seems to be broken as it fails to encode some things that were not a problem before.
```
  8bd619a9
- Testing if ujson is causing problems. · 58b25bf3
  Lauri Himanen authored Mar 11, 2020
  
  58b25bf3
- Small update. · 027fc3c4
  Lauri Himanen authored Mar 11, 2020
  
  027fc3c4
- Removed restrictions on smearing_kind. · 820008b3
  Lauri Himanen authored Mar 11, 2020
  
  820008b3
- Fixed submodule reference, added check for requiring symmetry information... · c7eb8a03
  Lauri Himanen authored Mar 11, 2020
```
Fixed submodule reference, added check for requiring symmetry information before processing bulk systems in EncyclopediaNormalizer.
```
  c7eb8a03
- Changing submodule commit refs. · 7e4bef3c
  Lauri Himanen authored Mar 11, 2020
  
  7e4bef3c
- Fixes in the hash calculation and in what information is required. · e888e730
  Lauri Himanen authored Mar 11, 2020
  
  e888e730
- Fixed linting, trying to solve submodule mess. · 74799526
  Lauri Himanen authored Mar 11, 2020
  
  74799526
10 Mar, 2020 1 commit
- Refactored the method settings creation and corresponding hashes. · d8aa3770
  Lauri Himanen authored Mar 10, 2020
  
  d8aa3770