Description of work
This PR adds an extra attribute called 'tags' to IOutputVariable. As a result, the HDF5 datasets in the MDA output file will have a 'tags' attribute as well. This does not change the output as such, but is a starting point allowing to store useful hints for the data plotter.
The DOS calculation will now label 'dostotal' as 'main', and 'dos{element name}' as 'main,partial'. The goal is to let the plotter create a quick plot out of an entire output file, where the main result is plotted first (solid line) and the partial results are added (using dashed lines, etc.)
Fixes
The 'tags' attribute has been added to IOutputVariable,
For each job, keyword arguments 'main_result = True' and 'partial_result = True' have been manually added for the outputs considered the main/partial results of a given analysis type.
To test
All tests should pass. The tags are not used at the moment.
Description of work This PR adds an extra attribute called 'tags' to IOutputVariable. As a result, the HDF5 datasets in the MDA output file will have a 'tags' attribute as well. This does not change the output as such, but is a starting point allowing to store useful hints for the data plotter.
The DOS calculation will now label 'dostotal' as 'main', and 'dos{element name}' as 'main,partial'. The goal is to let the plotter create a quick plot out of an entire output file, where the main result is plotted first (solid line) and the partial results are added (using dashed lines, etc.)
Fixes
To test All tests should pass. The tags are not used at the moment.