AiiDAlab DL_POLY API

• aiidalab_dlpoly package
  • Application
    • MainApp
    • MainAppView
    • DLPOLYProcess
      • DLPOLYProcess.submit_process()
      • DLPOLYProcess.validate_model()
    • MainAppModel
      • MainAppModel.block_results
      • MainAppModel.reset()
    • open_link_in_new_tab()
    • test_aiida_dlpoly_import()
  • Models
    • StructureInputModel
      • StructureInputModel.has_file
      • StructureInputModel.has_structure
      • StructureInputModel.is_periodic
    • WorkflowInputModel
      • WorkflowInputModel.BAROSTAT_ENSEMBLES
      • WorkflowInputModel.CONTROL_UNITS
      • WorkflowInputModel.DPD_ORDERS
      • WorkflowInputModel.DPD_UNIT_MAP
      • WorkflowInputModel.ENSEMBLES
      • WorkflowInputModel.ENSEMBLE_METHODS
      • WorkflowInputModel.HISTORY_TRAJ_KEY
      • WorkflowInputModel.UNITS_SCHEMES
      • WorkflowInputModel.available_ensemble_methods
      • WorkflowInputModel.control_parameters
      • WorkflowInputModel.control_unit()
      • WorkflowInputModel.has_control_file
      • WorkflowInputModel.has_force_field
      • WorkflowInputModel.has_valid_ensemble
      • WorkflowInputModel.is_valid
      • WorkflowInputModel.requires_barostat_coupling
      • WorkflowInputModel.requires_dpd_order
      • WorkflowInputModel.requires_ensemble_method
      • WorkflowInputModel.requires_thermostat_coupling
    • ComputationalResourcesModel
      • ComputationalResourcesModel.default_guide
      • ComputationalResourcesModel.validate()
    • ProcessModel
      • ProcessModel.has_process
      • ProcessModel.inputs
      • ProcessModel.outputs
      • ProcessModel.process
      • ProcessModel.process_uuid
    • ResultsModel
      • ResultsModel.blocked
  • Wizard steps
    • MainAppWizardWidget
      • MainAppWizardWidget.on_step_change()
      • MainAppWizardWidget.steps
    • StructureWizardStep
      • StructureWizardStep.render()
      • StructureWizardStep.submit_structure()
    • WorkflowWizardStep
      • WorkflowWizardStep.CONTROL_FIELDS
      • WorkflowWizardStep.render()
      • WorkflowWizardStep.submit_workflow()
    • ComputationalResourcesWizardStep
      • ComputationalResourcesWizardStep.render()
    • ResourceSetupBox
      • ResourceSetupBox.update_codes()
    • ResultsWizardStep
      • ResultsWizardStep.render()
  • Common widgets
    • QuickAccessButtons
    • CustomAiidaNodeViewWidget
    • StructureSelectionWidget
      • StructureSelectionWidget.disable()