aiida_quantumespresso.workflows.q2r.base
#
Workchain to run a Quantum ESPRESSO q2r.x calculation with automated error handling and restarts.
Module Contents#
Classes#
Workchain to run a Quantum ESPRESSO q2r.x calculation with automated error handling and restarts. |
Attributes#
- class aiida_quantumespresso.workflows.q2r.base.Q2rBaseWorkChain(*args, **kwargs)[source]#
Bases:
aiida.engine.BaseRestartWorkChain
Workchain to run a Quantum ESPRESSO q2r.x calculation with automated error handling and restarts.
- setup()[source]#
Call the setup of the BaseRestartWorkChain and then create the inputs dictionary in self.ctx.inputs.
This self.ctx.inputs dictionary will be used by the BaseRestartWorkChain to submit the calculations in the internal loop.
- 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.
- Parameters:
calculation – the failed calculation node
action – a string message with the action taken