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    • mala
      • common
      • datageneration
        • ofdft_initializer
        • trajectory_analyzer
      • datahandling
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Materials Learning Algorithms (MALA)
  • API reference
  • mala
  • datageneration
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Tools for data generation. Currently highly experimental.

datageneration

  • ofdft_initializer
    • OFDFTInitializer
      • OFDFTInitializer.get_equilibrated_configuration()
  • trajectory_analyzer
    • TrajectoryAnalyzer
      • TrajectoryAnalyzer.get_first_snapshot()
      • TrajectoryAnalyzer.get_snapshot_correlation_cutoff()
      • TrajectoryAnalyzer.get_uncorrelated_snapshots()
      • TrajectoryAnalyzer.uncache_properties()
      • TrajectoryAnalyzer.first_snapshot
      • TrajectoryAnalyzer.snapshot_correlation_cutoff
      • TrajectoryAnalyzer.trajectory
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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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