Closed brainandforce closed 1 year ago
In retrospect, I think this functionality might not be all that useful, so I'm closing this issue. Perhaps other tools can implement their own methods for extracting relevant data from a VASP calculation as its own data structure.
VASP isn't really great at segmenting its data into easily consumable units for developers, so I figured it might not be a bad idea to have function that looks inside a VASP calculation directory for all of the files it contains, and loads all of the data into a single
CrystalWithDatasets{3,String,Any}
.This will require us to be able to read some other files VASP generates (CHGCAR, for instance).