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The top-level validate_inputs validator for the PwCalculation will always try to get the parameters from the inputs. This causes any higher-level workchains that wrap PwBaseWorkChain that want to provide the Quantum-Espresso input parameters on the fly would have to set the PwBaseWorkChain validator to None in its own define method. A fix similar to 4ede7a1 and a3896293 could be implemented by checking if the parameter port is present in the namespace, since workchains that provide the parameters input on the fly typically would exclude that port when exposing the PwBaseWorkChain inputs. Therefore avoiding the need for such workchains to have to set the PwBaseWorkChain validator to None in their own define method.
The text was updated successfully, but these errors were encountered:
The top-level
validate_inputs
validator for thePwCalculation
will always try to get the parameters from the inputs. This causes any higher-level workchains that wrapPwBaseWorkChain
that want to provide the Quantum-Espresso input parameters on the fly would have to set thePwBaseWorkChain
validator toNone
in its owndefine
method. A fix similar to 4ede7a1 and a3896293 could be implemented by checking if the parameter port is present in the namespace, since workchains that provide the parameters input on the fly typically would exclude that port when exposing thePwBaseWorkChain
inputs. Therefore avoiding the need for such workchains to have to set thePwBaseWorkChain
validator toNone
in their owndefine
method.The text was updated successfully, but these errors were encountered: