Commits · v2.2.1 · AGOX / AGOX · GitLab

Feb 14, 2023
- Merge branch 'dev' into 'stable' · 12d29be7
  Nikolaj Rønne authored Feb 14, 2023
  View commits for tag v2.2.1 v2.2.1
  12d29be7
- Version 2.2.1 · bb8d62ca
  Mads-Peter V. C. authored Feb 14, 2023 and Nikolaj Rønne committed Feb 14, 2023
  
  bb8d62ca
Feb 13, 2023
- Merge branch 'stable-v2.2.0' into 'stable' · dc132f50
  Mads-Peter V. C. authored Feb 13, 2023
  View commits for tag v2.2.0 v2.2.0
  dc132f50
- Updated version number. · 47b6164e
  Mads-Peter V. C. authored Feb 13, 2023
  
  47b6164e
- Resolved merge conflicts and weird error with ABC_descriptor. · 8581bfe1
  Mads-Peter V. C. authored Feb 13, 2023
  
  8581bfe1
Feb 09, 2023
- Merge branch 'agox-tests' into 'dev' · b000cadb
  Nikolaj Rønne authored Feb 09, 2023
  b000cadb
- Merge branch 'dev' into agox-tests · 52c0f29a
  Nikolaj Rønne authored Feb 09, 2023
  
  52c0f29a
- Merge branch 'dev' into agox-tests · ba306adb
  Nikolaj Rønne authored Feb 09, 2023
  
  ba306adb
- recreated lgpr_bh test · 5467455f
  Nikolaj Rønne authored Feb 09, 2023
  
  5467455f
- Merge branch 'kmeans-defaults' into 'dev' · 151b7f2f
  Mads-Peter V. C. authored Feb 09, 2023
  151b7f2f
Feb 08, 2023
- Set k-means initialization parameters to prevent deprecation warnings · ffa56018
  Luuk Kempen authored Feb 08, 2023
  
  ffa56018
Feb 07, 2023
- Merge branch 'database_write_freq' into 'dev' · e215a700
  Nikolaj Rønne authored Feb 07, 2023
  e215a700
Feb 06, 2023
- Added SOAP descriptor test. · 25eabb27
  Mads-Peter V. C. authored Feb 06, 2023
  
  25eabb27
- Bug fixes. · ac9aeedc
  Mads-Peter V. C. authored Feb 06, 2023
  
  ac9aeedc
- Updated generator tests to take cmd options. · 93f19372
  Mads-Peter V. C. authored Feb 06, 2023
  
  93f19372
- Updated AOGX run tests with cmd input. · d91b5f69
  Mads-Peter V. C. authored Feb 06, 2023
  
  d91b5f69
- Started using cmd options in model tests. · a6b14b5a
  Mads-Peter V. C. authored Feb 06, 2023
  
  a6b14b5a
- Added cmd options. · 2754c7c0
  Mads-Peter V. C. authored Feb 06, 2023
  
  2754c7c0
- Merge branch 'confinement_fix' into agox-tests · 2ef91e55
  Mads-Peter V. C. authored Feb 06, 2023
  
  2ef91e55
- Changed write_frequency default from 50 to 1. · d934a291
  Mads-Peter V. C. authored Feb 06, 2023
  
  d934a291
- Confinement class converts to numpy array internally to avoid bugs.. · 4c9b0d8d
  Mads-Peter V. C. authored Feb 06, 2023
  
  4c9b0d8d
Feb 02, 2023
- First version of conftest.py · eace0417
  Mads-Peter V. C. authored Feb 02, 2023
  
  eace0417
- Updated expected outputs to run without OMP_NUM_THREADS=1 · 5fcaf59c
  Mads-Peter V. C. authored Feb 02, 2023
  
  5fcaf59c
- Merge branch 'broken_pool_fix' into 'dev' · 1aeadd2f
  Nikolaj Rønne authored Feb 02, 2023
  1aeadd2f
- Fixed recursion issue caused by 'self' in super().__init__() leading to self.surname = self. · 2efa0d6e
  Mads-Peter V. C. authored Feb 02, 2023
  
  2efa0d6e
- fixed energy comparison · 305bf7cc
  Nikolaj Rønne authored Feb 02, 2023
  
  305bf7cc
- Merge branch 'data_selectors' into 'dev' · 888fa718
  Nikolaj Rønne authored Feb 02, 2023
  888fa718
- Merge branch 'descriptor_imports' into 'dev' · a274ced1
  Nikolaj Rønne authored Feb 02, 2023
  a274ced1
Feb 01, 2023
- Fixed ugly cell and removed png outputs. · 20be93f7
  Mads-Peter V. C. authored Feb 01, 2023
  
  20be93f7
- Updated coverage report. · a620cf63
  Mads-Peter V. C. authored Feb 01, 2023
  
  a620cf63
- Added a few more tests. · 2e76e114
  Mads-Peter V. C. authored Feb 01, 2023
  
  2e76e114
- Added data selection utility. · 025fe0f4
  Mads-Peter V. C. authored Feb 01, 2023
  
  025fe0f4
Jan 31, 2023
- Changed import so describe doesnt break notebooks. · 8ea701a9
  Mads-Peter V. C. authored Jan 31, 2023
  
  8ea701a9
Jan 30, 2023
- Restructured test directory to have one directory pr. module type. · 837aa346
  Mads-Peter V. C. authored Jan 30, 2023
  
  837aa346
- removed local model specific call. · cbe23396
  Mads-Peter V. C. authored Jan 30, 2023
  
  cbe23396
- Fixed issue with local GPR tests to do with floating-point precision when... · efcbe12a
  Mads-Peter V. C. authored Jan 30, 2023
  efcbe12a
- Deleted folder with scripts in docs. · 9034a0f4
  Mads-Peter V. C. authored Jan 30, 2023
  
  9034a0f4
- Removed search generator from docs as it is not easily useable yet. · 44921e16
  Mads-Peter V. C. authored Jan 30, 2023
  
  44921e16
- Updated docs to link to test scripts. · 36a9b363
  Mads-Peter V. C. authored Jan 30, 2023
  
  36a9b363
Jan 26, 2023
- Merge branch 'fix-setup' into 'dev' · 29a68c88
  Mads-Peter V. C. authored Jan 26, 2023
  29a68c88