aiida_orca.workchains package
Submodules
aiida_orca.workchains.base module
Base work chain to run an ORCA calculation
- class aiida_orca.workchains.base.OrcaBaseWorkChain(*args: Any, **kwargs: Any)[source]
Bases:
BaseRestartWorkChain
Workchain to run a orca calculation with automated error handling and restarts.
- __abstractmethods__ = frozenset({})
- __module__ = 'aiida_orca.workchains.base'
- _abc_impl = <_abc_data object>
- _process_class
alias of
OrcaCalculation
- handle_known_unrecoverable_failure(calculation)[source]
Handle exit status between 300-399.
These errors should come from aiida-orca plugin and are not recoverable.
- handle_unknown_unrecoverable_failure(calculation)[source]
Handle exit status between 1-299
These errors come from outside of aiida-orca plugin. For now we suppose that all of these are unrecoverable.
- report_error_handled(calculation, action)[source]
Report an action taken for a calculation that has failed. This should be called in a registered error handler if its condition is met and an action was taken. :param calculation: the failed calculation node :param action: a string message with the action taken
Module contents
Initialize OrcaBaseWorkChain