siesta-project / aiida_siesta_plugin

Source code for the AiiDA-Siesta package (plugin and workflows). See wiki
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Fixed bugs in SiestaBaseWorkChain and added one explicative example #35

Closed bosonie closed 4 years ago

bosonie commented 4 years ago

In SiestaBaseWorkChain there was a call to get_plugins, a function that is not present anymore in aiida. While fixing this problem, I realised that the entire chunk of code where get_plugins was called is not usefull at the moment, see code for details. Second bug concerns the wrong management of inputs of the WC. All were defined with Required=False and then called without checking whether they were effectivily defined. I also added an example that I used to test the SiestaBaseWorkChain. I thought was usefull leaving it.