PwBaseWorkChain: Set restart_mode in parameters if parent_folder
#867
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Typically, if a user launches a `PwBaseWorkChain` with a `parent_folder` they want to restart from a previously completed but unconverged run. In this case the `CONTROL.restart_mode` parameter should be set to `from_scratch`. This used to be done automatically but was removed in commit cb32be5. Here we reinstate the behavior by calling `set_restart_type` to `RestartType.FULL` if the `parent_folder` is defined and the `CONTROL.restart_mode` hasn't already been set explicitly in the parameters to `from_scratch`. In this case, it was likely set by the caller and we don't want to silently override this.
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mbercx
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Nov 21, 2022
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Fixes #864
Typically, if a user launches a
PwBaseWorkChainwith aparent_folderthey want to restart from a previously completed but unconverged run. In this case theCONTROL.restart_modeparameter should be set tofrom_scratch. This used to be done automatically but was removed in commit cb32be5.Here we reinstate the behavior by calling
set_restart_typetoRestartType.FULLif theparent_folderis defined and theCONTROL.restart_modehasn't already been set explicitly in the parameters tofrom_scratch. In this case, it was likely set by the caller and we don't want to silently override this.