atlas package

Subpackages

• atlas.active_learning package
  • Subpackages
    • atlas.active_learning.extrapolation package
      • Submodules
      • atlas.active_learning.extrapolation.autoencoder module
      • atlas.active_learning.extrapolation.autoencoder_tools_aiida module
      • atlas.active_learning.extrapolation.concave_hull module
      • atlas.active_learning.extrapolation.morphological_closing module
      • atlas.active_learning.extrapolation.quadtree module
      • atlas.active_learning.extrapolation.train_autoencoder module
      • Module contents
  • Submodules
  • atlas.active_learning.active_learning_utils module
  • atlas.active_learning.conversion module
  • atlas.active_learning.mace_tools_aiida module
  • atlas.active_learning.report_utils module
  • Module contents
• atlas.core package
  • Subpackages
    • atlas.core.command_line package
      • Submodules
      • atlas.core.command_line.cli_active_learning module
      • atlas.core.command_line.cli_dashboard module
      • atlas.core.command_line.cli_db_analysis module
      • atlas.core.command_line.cli_generate_configuration_file module
      • atlas.core.command_line.cli_generate_docs module
      • atlas.core.command_line.cli_generate_init_db module
      • atlas.core.command_line.cli_latent_space_analysis module
      • atlas.core.command_line.cli_run_initial_config module
      • atlas.core.command_line.cli_train_autoencoder module
      • atlas.core.command_line.command_line_utils module
      • Module contents
    • atlas.core.database package
      • Submodules
      • atlas.core.database.diversity_metrics module
      • Module contents
  • Submodules
  • atlas.core.clusters module
  • atlas.core.code_utils module
    • ATLHighlighter
      • ATLHighlighter.base_style
      • ATLHighlighter.highlights
    • ATLRichHandler
      • ATLRichHandler.emit()
    • LevelNameFilter
      • LevelNameFilter.filter()
    • atl_show_progress()
    • check_atl_version()
    • create_handler_filters()
    • custom_print()
    • deprecated()
    • display_qr_in_cli()
    • get_atl_version_info()
    • get_cache_path()
    • get_config_path()
    • get_console_handler()
    • get_last_tagged_version()
    • get_last_tagged_version_local()
    • get_list_of_tags()
    • init_cache_dir()
    • init_config_dir()
    • init_logger()
    • logging_set_levels()
    • save_qr_to_file()
  • atlas.core.exceptions module
    • AtomNotFoundForCluster
    • BaseStructureNotFound
    • CompositionNotMatchingElementListError
    • EmptyDataBase
    • FilterError
    • IncompatibleDataBase
    • IncompatiblePhaseError
    • MissingElementError
    • MissingMandatoryParameterError
    • PhaseDiagramEmpty
    • PhaseNotFound
  • atlas.core.initial_db module
  • atlas.core.phase_diagram module
    • BasePhaseDiagram
      • BasePhaseDiagram.phases
      • BasePhaseDiagram.material
      • BasePhaseDiagram.add_phase()
      • BasePhaseDiagram.get_phase()
    • BinaryPhaseDiagram
      • BinaryPhaseDiagram.plot_diagram()
    • Phase
      • Phase.get_base_elem_perc()
      • Phase.perc_in_phase()
    • PhaseDiagram()
    • SinglePhaseDiagram
      • SinglePhaseDiagram.plot_diagram()
    • TernaryPhaseDiagram
      • TernaryPhaseDiagram.plot_diagram()
  • atlas.core.structure module
  • atlas.core.surfaces module
  • atlas.core.utils module
  • Module contents
• atlas.workflows package
  • Subpackages
    • atlas.workflows.datatypes package
      • Submodules
      • atlas.workflows.datatypes.aiida_cli module
      • atlas.workflows.datatypes.image_types module
      • atlas.workflows.datatypes.mlip module
      • Module contents
    • atlas.workflows.dft package
      • Subpackages
      • Module contents
  • Submodules
  • atlas.workflows.active_learning module
  • atlas.workflows.aiida_utils module
  • atlas.workflows.monitors module
    • output_monitor()
  • atlas.workflows.simple_active_learning module
  • Module contents

Module contents

Library for streamlining the structure creation and training for NNPs.