Samuel Coles

icon company University Of Cambridge icon location Cambridge UK icon location Research Associate in the Department of Chemistry at the University of Cambridge, in the ICE group. Until recently a postdoc with @bjmorgan in Bath.

Results 1 issues of Samuel Coles

Radial distribution function errors on setting the value of self_reference

Hi Ben, Sorry the weird start off. The vasppy rdf indexing gives the `any()/all()` if you use numpy arrays. Strictly this isn't a bug but it causes slight issues with...