Materials Learning Algorithms Data Acquisition (MALADA)

Installation

  • Installation of MALADA

Usage

  • General Usage
  • Pipeline
  • Global parameters
  • List of providers
  • Current limitations

API Reference

  • malada
    • malada package
Materials Learning Algorithms Data Acquisition (MALADA)
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maladaΒΆ

  • malada package
    • Subpackages
      • malada.pipeline package
        • Submodules
        • malada.pipeline.pipeline module
        • Module contents
      • malada.providers package
        • Submodules
        • malada.providers.crystalstructure module
        • malada.providers.dft module
        • malada.providers.dftconvergence module
        • malada.providers.ldosconvergence module
        • malada.providers.md module
        • malada.providers.mdperformance module
        • malada.providers.provider module
        • malada.providers.snapshots module
        • malada.providers.supercell module
        • Module contents
      • malada.runners package
        • Submodules
        • malada.runners.bashrunner module
        • malada.runners.runner module
        • malada.runners.runner_interface module
        • malada.runners.slurm_creator module
        • Module contents
      • malada.utils package
        • Submodules
        • malada.utils.cell_transformations module
        • malada.utils.convergence_guesses module
        • malada.utils.custom_converter module
        • malada.utils.parameters module
        • malada.utils.slurmparams module
        • malada.utils.vasp_utils module
        • Module contents
    • Submodules
    • malada.version module
    • Module contents
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