Commits · 36b0cfdbcf76975696c227f468bda534c8b69366 · Tadah / MLIP

Nov 01, 2024
- Merge branch 'develop' into 'main' · 36b0cfdb
  Marcin Kirsz authored 4 months ago
  
  Subtracting mean for error prediction See merge request !5
  36b0cfdb
- Subtracting mean for error prediction · f7587204
  Marcin Kirsz authored 4 months ago
  
  This is somewhat addhoc but at least it makes more sense now
  f7587204
Oct 31, 2024
- Merge branch 'develop' into 'main' · 1414cad1
  Marcin Kirsz authored 4 months ago
  
  Add init PD See merge request !4
  1414cad1
- Add init PD · 10f4eb3f
  Marcin Kirsz authored 4 months ago
  
  10f4eb3f
- Merge branch 'develop' into 'main' · a202db50
  Marcin Kirsz authored 4 months ago
  
  Develop See merge request !3
  a202db50
- find_unique... to accomodate for additional line of structure weights · 05ea8020
  Marcin Kirsz authored 4 months ago
  
  05ea8020
- Dealing with ATOMS and WATOMS · e4395b60
  Marcin Kirsz authored 4 months ago
  
  e4395b60
Oct 30, 2024
- StructureDB to check ATOMS and WATOMS consistency and set defaults if needed · 2b2454d6
  Marcin Kirsz authored 4 months ago
  
  2b2454d6
Oct 29, 2024
- removed old comment and formatting · cb328797
  Marcin Kirsz authored 4 months ago
  
  cb328797
Oct 25, 2024
- Merge branch 'develop' into 'main' · 3c069836
  Marcin Kirsz authored 5 months ago
  
  Develop See merge request !2
  3c069836
Oct 22, 2024
- Update CMakeLists.txt · 25651c28
  Marcin Kirsz authored 5 months ago
  
  25651c28
Oct 21, 2024
- Update · 9a833d57
  mkirsz authored 5 months ago
  
  9a833d57
- Update · 7747d1c7
  mkirsz authored 5 months ago
  
  7747d1c7
- Missing test, all ok · bd453998
  mkirsz authored 5 months ago
  
  bd453998
- Fix · 15833ce5
  mkirsz authored 5 months ago
  
  15833ce5
- Update · f4b1ef98
  mkirsz authored 5 months ago
  
  f4b1ef98
- Update · 0be436b0
  mkirsz authored 5 months ago
  
  0be436b0
- fix includes · b4de84e6
  mkirsz authored 5 months ago
  
  b4de84e6
- Major reorganisation · 9d55b145
  mkirsz authored 5 months ago
  
  9d55b145
Oct 18, 2024
- Update · f8ef1f4d
  Marcin Kirsz authored 5 months ago
  
  f8ef1f4d
- Update · 945e74d5
  Marcin Kirsz authored 5 months ago
  
  945e74d5
Oct 17, 2024
- Update · d590e056
  Marcin Kirsz authored 5 months ago
  
  d590e056
Oct 16, 2024
- Debug · e43e78ab
  Marcin Kirsz authored 5 months ago
  
  e43e78ab
- Merge branch 'main' of git.ecdf.ed.ac.uk:tadah/mlip · 22f5e555
  Marcin Kirsz authored 5 months ago
  
  22f5e555
- Removed trained flag in this case as it was misleading · ad9aa4d2
  Marcin Kirsz authored 5 months ago
  
  ad9aa4d2
Oct 09, 2024
- Update structure_db.cpp · 5dd54313
  Marcin Kirsz authored 5 months ago
  
  5dd54313
- Add clearing of NN lists · 231c8d32
  Marcin Kirsz authored 5 months ago
  
  231c8d32
- Merge branch 'main' of git.ecdf.ed.ac.uk:tadah/mlip · 9ca1d302
  Marcin Kirsz authored 5 months ago
  
  9ca1d302
- Update · 1d0e8f7d
  Marcin Kirsz authored 5 months ago
  
  1d0e8f7d
- Update m_blr.h · 4e0bfed0
  Marcin Kirsz authored 5 months ago
  
  4e0bfed0
- Update m_blr.h · a2df630e
  Marcin Kirsz authored 5 months ago
  
  a2df630e
- Update version.h · 64f829c4
  Marcin Kirsz authored 5 months ago
  
  64f829c4
Oct 08, 2024
- remove init method · 305335c2
  Marcin Kirsz authored 5 months ago
  
  305335c2
- fix for solver when N > M · 69e139c8
  Marcin Kirsz authored 5 months ago
  
  69e139c8
- fix for solver when N > M · 6a3cdf40
  Marcin Kirsz authored 5 months ago
  
  6a3cdf40
- fix for solver when N > M · 1473f57d
  Marcin Kirsz authored 5 months ago
  
  1473f57d
- fix for solver when N > M · f0af141e
  Marcin Kirsz authored 5 months ago
  
  f0af141e
- fix for solver when N > M · 5b52c478
  Marcin Kirsz authored 5 months ago
  
  5b52c478
- fix for solver when N > M · f9152d22
  Marcin Kirsz authored 5 months ago
  
  f9152d22
- fix for solver when N > M · 5e55e8ce
  Marcin Kirsz authored 5 months ago
  
  5e55e8ce