Rationalise pseudopotential types #202
Labels
area: main-source
Relating to the src/ directory (main Conquest source code)
improves: stability
Fix or enhance issues with stability or robustness
needs: confirmation
Bug or issue needing confirmation
priority: minor
time: days
type: question
Issue to be discussed by developers
At present we have a redundant pseudopotential type (OLDPS) which I think that we should remove. It would also be possible to change the code so that the
pseudo_type
variable becomes species-dependent, to allow mixing of Conquest and Siesta ion files.@tsuyoshi38 @lionelalexandre @ayakon Do you have any opinions, particularly on allowing mixing of types?
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