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Setting builder for AiiDA input can be interactive but can be very expliticy. At the moment, pre-defined default inputs for VASP can be prepared using VASPInputset but the user still have to link it up to each input port.
An alternative approach is to define the input as a pipline, encourages code resuse.
So a workflow can be defined as:
Setting
builder
for AiiDA input can be interactive but can be very expliticy. At the moment, pre-defined default inputs for VASP can be prepared usingVASPInputset
but the user still have to link it up to each input port.An alternative approach is to define the input as a pipline, encourages code resuse.
So a workflow can be defined as:
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