Atm, the workflow default is set to single point or geometry optimization based on the no. steps.
This business logic does not cover all possible edge cases, which should be regulated on a by-parser basis.
Note that we need a default for the Workflow section (None) and the calculation type (undefined) in the results. We should also update all testing.
Atm, the workflow default is set to single point or geometry optimization based on the no. steps.
This business logic does not cover all possible edge cases, which should be regulated on a by-parser basis.
Note that we need a default for the Workflow section (
None) and the calculation type (undefined) in the results. We should also update all testing.