aiida_cusp.data.inputs package

Submodules

• aiida_cusp.data.inputs.vasp_incar module
  • IncarWrapper
    • IncarWrapper.keys_to_upper_case()
  • VaspIncarData
    • VaspIncarData.get_incar()
    • VaspIncarData.write_file()
• aiida_cusp.data.inputs.vasp_kpoint module
  • KpointWrapper
    • KpointWrapper.auto_int()
    • KpointWrapper.build_init_mode()
    • KpointWrapper.complete_parameter_list()
    • KpointWrapper.gamma_float()
    • KpointWrapper.gamma_list()
    • KpointWrapper.line_int()
    • KpointWrapper.monkhorst_float()
    • KpointWrapper.monkhorst_list()
    • KpointWrapper.normalize()
    • KpointWrapper.structure_from_input()
    • KpointWrapper.validate_and_initialize()
  • VaspKpointData
    • VaspKpointData.get_description()
    • VaspKpointData.get_kpoints()
    • VaspKpointData.write_file()
• aiida_cusp.data.inputs.vasp_poscar module
  • PoscarWrapper
    • PoscarWrapper.structure_from_input()
    • PoscarWrapper.validate_and_initialize()
  • VaspPoscarData
    • VaspPoscarData.get_aiida_structure()
    • VaspPoscarData.get_atoms()
    • VaspPoscarData.get_description()
    • VaspPoscarData.get_poscar()
    • VaspPoscarData.get_structure()
    • VaspPoscarData.write_file()
• aiida_cusp.data.inputs.vasp_potcar module
  • 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
  • VaspPotcarFile
    • VaspPotcarFile.add_potential()
    • VaspPotcarFile.element
    • VaspPotcarFile.from_tags()
    • VaspPotcarFile.functional
    • VaspPotcarFile.hash
    • VaspPotcarFile.is_unique()
    • VaspPotcarFile.name
    • VaspPotcarFile.validate_element()
    • VaspPotcarFile.validate_functional()
    • VaspPotcarFile.validate_name()
    • VaspPotcarFile.validate_version()
    • VaspPotcarFile.version