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This is then used to set up a restart_calc in the context, similar to how actual restarts are done in the work chain. However, there can be cases where the user wants to provide a RemoteData that does not have a PwCalculation as a creator. Maybe this is a RemoteData that is constructed manually or is the result of a calcfunction.
Moreover, later in the prepare_process step, the input for the restart_mode tag is overwritten in case a restart_calc is found in the context:
This means that when providing the parent_folder input, restart_mode is always set to 'restart', overriding the input provided by the user. This means that restarting from only a charge density with startingpot is not possible.
The text was updated successfully, but these errors were encountered:
Currently, the
PwBaseWorkChain
expects theRemoteData
provided to thepw.parent_folder
input to have a creator:aiida-quantumespresso/aiida_quantumespresso/workflows/pw/base.py
Lines 248 to 249 in c49def7
This is then used to set up a
restart_calc
in the context, similar to how actual restarts are done in the work chain. However, there can be cases where the user wants to provide aRemoteData
that does not have aPwCalculation
as a creator. Maybe this is aRemoteData
that is constructed manually or is the result of acalcfunction
.Moreover, later in the
prepare_process
step, the input for therestart_mode
tag is overwritten in case arestart_calc
is found in the context:aiida-quantumespresso/aiida_quantumespresso/workflows/pw/base.py
Lines 418 to 420 in c49def7
This means that when providing the
parent_folder
input,restart_mode
is always set to'restart'
, overriding the input provided by the user. This means that restarting from only a charge density withstartingpot
is not possible.The text was updated successfully, but these errors were encountered: