Currently in the xml_writer is indirectly inferring the LJ-14 scaling and QQ-14 scaling from the structure.adjusts. However, since now we populate and store the combining rule in structure.defaults (if that structure is typed and parameterized with foyer), it makes more sense refer that directly from there.
PR Summary:
Currently in the xml_writer is indirectly inferring the LJ-14 scaling and QQ-14 scaling from the structure.adjusts. However, since now we populate and store the combining rule in
structure.defaults
(if that structure is typed and parameterized with foyer), it makes more sense refer that directly from there.PR Checklist