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Materials Learning Algorithms (MALA)
  • API reference
  • mala
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Interfaces to other codes for workflow setup (e.g. MD or MC).

interfaces

  • ase_calculator
    • MALA
      • MALA.mala_parameters
      • MALA.last_energy_contributions
      • MALA.calculate()
      • MALA.calculate_properties()
      • MALA.load_model()
      • MALA.load_run()
      • MALA.save_calculator()
      • MALA.implemented_properties
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© Copyright 2021 National Technology & Engineering Solutions of Sandia, LLC (NTESS). Under the terms of Contract DE-NA0003525 with NTESS, the U.S. Government retains certain rights in this software. Attila Cangi, J. Austin Ellis, Lenz Fiedler, Daniel Kotik, Normand Modine, Sivasankaran Rajamanickam, Steve Schmerler, Aidan Thompson.

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