The line
crys.rpdf(coords, rmax=5.0, cell=cell, ...)
uses and older API that is no longer supported. It needs to be converted to using a Structure as input, where we build the latter using coords, cell and symbols.
This is not critical since the generated data is part of the repo in test/files/rpdf/, just has to be fixed if new data is to be generated.
The line
uses and older API that is no longer supported. It needs to be converted to using a
Structureas input, where we build the latter usingcoords,cellandsymbols.This is not critical since the generated data is part of the repo in
test/files/rpdf/, just has to be fixed if new data is to be generated.