aiidalab_alc

• aiidalab_alc package
  • Subpackages
    • aiidalab_alc.common package
      • Submodules
      • aiidalab_alc.common.navigation module
      • Module contents
  • Submodules
  • aiidalab_alc.main module
    • MainApp
    • MainAppView
    • WizardWidget
      • WizardWidget.on_step_change()
      • WizardWidget.steps
  • aiidalab_alc.process module
    • ChemShellProcess
      • ChemShellProcess.submit_process()
      • ChemShellProcess.validate_model()
    • MainAppModel
      • MainAppModel.block_results
      • MainAppModel.reset()
  • aiidalab_alc.resources module
    • ComputationalResourcesModel
      • ComputationalResourcesModel.code_label
      • ComputationalResourcesModel.default_guide
      • ComputationalResourcesModel.ncpus
      • ComputationalResourcesModel.process_description
      • ComputationalResourcesModel.process_label
      • ComputationalResourcesModel.submitted
      • ComputationalResourcesModel.validate()
    • ComputationalResourcesWizardStep
      • ComputationalResourcesWizardStep.render()
    • ResourceSetupBox
      • ResourceSetupBox.update_codes()
  • aiidalab_alc.results module
    • ProcessModel
      • ProcessModel.has_process
      • ProcessModel.inputs
      • ProcessModel.outputs
      • ProcessModel.process
      • ProcessModel.process_uuid
    • ResultsModel
      • ResultsModel.blocked
    • ResultsWizardStep
      • ResultsWizardStep.render()
  • aiidalab_alc.structure module
    • StructureStepModel
      • StructureStepModel.has_file
      • StructureStepModel.has_structure
      • StructureStepModel.is_periodic
      • StructureStepModel.structure
      • StructureStepModel.structure_file
      • StructureStepModel.submitted
    • StructureWizardStep
      • StructureWizardStep.render()
      • StructureWizardStep.submit_structure()
  • aiidalab_alc.utils module
    • get_app_dir()
    • get_chem_shell_params()
    • get_py_app_dir()
    • open_link_in_new_tab()
    • test_aiida_chemsh_import()
  • aiidalab_alc.workflow module
    • ChemShellOptionsWidget
      • ChemShellOptionsWidget.disable()
      • ChemShellOptionsWidget.render()
    • ChemShellWorkflowModel
      • ChemShellWorkflowModel.basis_quality
      • ChemShellWorkflowModel.default_guide
      • ChemShellWorkflowModel.force_field
      • ChemShellWorkflowModel.mm_theory
      • ChemShellWorkflowModel.qm_region
      • ChemShellWorkflowModel.qm_theory
      • ChemShellWorkflowModel.submitted
      • ChemShellWorkflowModel.use_mm
    • MethodWizardStep
      • MethodWizardStep.render()
  • Module contents