aiida_cusp package
Custodian based VASP Plugin for AiiDA enabling automated error correction for AiiDA managed VASP calculations.
Subpackages
- aiida_cusp.calculators package
- aiida_cusp.cli package
- aiida_cusp.data package
VaspChgcarData
VaspContcarData
VaspGenericData
VaspIncarData
VaspKpointData
VaspOutcarData
VaspPoscarData
VaspPotcarData
VaspPotcarData.element
VaspPotcarData.filenode_uuid
VaspPotcarData.from_structure()
VaspPotcarData.functional
VaspPotcarData.hash
VaspPotcarData.init_from_tags()
VaspPotcarData.load_potential_file_node()
VaspPotcarData.name
VaspPotcarData.potcar_from_linklist()
VaspPotcarData.potcar_props_from_name_list()
VaspPotcarData.version
VaspVasprunData
VaspWavecarData
- Subpackages
- aiida_cusp.parsers package
- aiida_cusp.utils package
- aiida_cusp.workflows package
MultiRelaxWorkChain
MultiRelaxWorkChain.assert_run_successful()
MultiRelaxWorkChain.define()
MultiRelaxWorkChain.get_current_step_name()
MultiRelaxWorkChain.get_next_incar_data()
MultiRelaxWorkChain.incar_not_exhausted()
MultiRelaxWorkChain.initialize_multi_relaxation()
MultiRelaxWorkChain.register_workflow_outputs()
MultiRelaxWorkChain.run_vasp_relaxation()
MultiRelaxWorkChain.setup_calculation_inputs()
MultiRelaxWorkChain.verify_workflow_inputs()
- Submodules