GW and BSE method normalizer
Method normalization related with #1316 (closed).
Main changes:
- Added
ExcitedState
in results. Base class for results.method GW and BSE. - Added method normalization for BSE and DFT+BSE, as well as generalizing GW and DFT+GW.
List of changes:
- Grouping GW and BSE as much as possible into base classes with names
ExcitedState
. This will be further useful when parsing TDDFT calculations. -
MethodNormalizer
has been changed: new defined abstract class for ElectronicMethod, with the methodto_simulation
. This populatesresults.simulation.method
for each specific electronic technique we currently have (DFT, GW/BSE, Projection, DMFT). - Included BSE FilterMenu for the GUI under GW. This contains both
BSE.type
andBSE.solver
as well as DFT+BSE and DFT+GW+BSE1 metainfo (XC functionals, basis set names, GW Hedin type).
-
Thought there is currently not this DFT+GW+BSE workflow being defined or parsed, this is in my TODO list. For now I kept it as a possibility in the metainfo, but will revisit it soon.
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Edited by Jose Pizarro