aiida_orca package
Subpackages
- aiida_orca.calculations package
- Submodules
- aiida_orca.calculations.orca_asa module
- aiida_orca.calculations.orca_orca module
OrcaCalculation
OrcaCalculation._GBW_FILE
OrcaCalculation._HESSIAN_FILE
OrcaCalculation._INPUT_COORDS_FILE
OrcaCalculation._INPUT_FILE
OrcaCalculation._OUTPUT_FILE
OrcaCalculation._PARENT_CALC_FOLDER
OrcaCalculation._PARSER
OrcaCalculation._RELAX_COORDS_FILE
OrcaCalculation._TRAJECTORY_FILE
OrcaCalculation.__abstractmethods__
OrcaCalculation.__module__
OrcaCalculation._abc_impl
OrcaCalculation._write_input_file()
OrcaCalculation._write_structure()
OrcaCalculation.define()
OrcaCalculation.prepare_for_submission()
- Module contents
- aiida_orca.parsers package
- aiida_orca.utils package
- aiida_orca.workchains package
- Submodules
- aiida_orca.workchains.base module
OrcaBaseWorkChain
OrcaBaseWorkChain.__abstractmethods__
OrcaBaseWorkChain.__module__
OrcaBaseWorkChain._abc_impl
OrcaBaseWorkChain._process_class
OrcaBaseWorkChain.define()
OrcaBaseWorkChain.handle_known_unrecoverable_failure()
OrcaBaseWorkChain.handle_unknown_unrecoverable_failure()
OrcaBaseWorkChain.report_error_handled()
OrcaBaseWorkChain.setup()
- Module contents
Module contents
AiiDA-Orca plugin