Closed rmatsum836 closed 2 years ago
Removing the "self" argument from compute_van_hove since this generally includes interactions between different atoms. Also raise a ValueError if self_correlation="self" but selection1 != selection2.
compute_van_hove
self_correlation="self"
selection1 != selection2
Removing the "self" argument from
compute_van_hovesince this generally includes interactions between different atoms. Also raise a ValueError ifself_correlation="self"butselection1 != selection2.