All pull requests

Pull requests

• Update .gitignore to include additional build artifacts

  #208·tageniu opened Sep 17, 2025·

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• CMake Build System

  #206·adodin opened Feb 14, 2025·

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• [WIP] Implement additional structure and force weights in the loss function

  #187·cschran opened Feb 24, 2023·

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  2

• Implemented short-distance suppression of symmetry functions

  #185·xyttyxy opened Jan 18, 2023·

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  1

• Feat/add stress

  coreenhancementtraining
  #103·DanielMarchand opened Apr 3, 2021Contributor·

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  4

  

• Add Kokkos version with dependent Cabana implementation

  enhancementinterface
  #88·streeve opened Feb 25, 2021Contributor·

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  3

• [WIP] Q-HDNNP: Simplified "charge-aware" HDNNP

  coreenhancement
  #80·singraber opened Jan 22, 2021Member·

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  2

  

• [WIP] Refactoring NeuralNetwork class

  coreenhancement
  #64·singraber opened Sep 30, 2020Member·

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• [WIP] Parallel decoupled Kalman filter training

  enhancement
  #61·singraber opened Sep 5, 2020Member·

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• n2p2 training size

  enhancementtool
  #21·MadlenReiner opened Oct 14, 2019·

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• Symfunc paramgen

  enhancementtool
  #15·flobuch opened Jul 10, 2019·

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• Farthest point sampling method

  enhancementtool
  #13·AKaiser85 opened Apr 24, 2019·

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  3