Release/1.4.1 #153
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Release/1.4.1 #153
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For some CP2K calculations, e.g. a "single-point" calculation, there is no `output_structure` output in the `Cp2kCalculation`. In this case the current `Cp2KBaseWorkChain` fails to restart, since the `overwrite_input_structure` step in the outline _expects_ this output to be present. Here we simply add a check to see if `output_structure` is one of the outputs of the final `Cp2kCalculation`, and only update the input structure in the context if that is the case.
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