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The workflow should be used in four steps: (1) create workflow class and initialise parameters, (2) generate structures by calling generate_structures(), (3) evaluate structures with any external code, (4) analyse the computed results using analyse_structures(). Here is an example to calculate an energy volume curve from the documentation
The workflow should be used in four steps: (1) create workflow class and initialise parameters, (2) generate structures by calling
generate_structures()
, (3) evaluate structures with any external code, (4) analyse the computed results usinganalyse_structures()
. Here is an example to calculate an energy volume curve from the documentationTo encourage this behaviour the workflow should not have any public facing properties.
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