This is the SimDE equivalent of https://github.com/NWChemEx/Chemist/pull/388. The exception to the aforementioned statement is that since vector spaces won't make the 1.0 cut, I did have to modify AOEnergy so it takes an AOBasisSet object instead of an AOSpace.
This is the SimDE equivalent of https://github.com/NWChemEx/Chemist/pull/388. The exception to the aforementioned statement is that since vector spaces won't make the 1.0 cut, I did have to modify
AOEnergy
so it takes anAOBasisSet
object instead of anAOSpace
.This PR depends on:
and then updating the version of CMaize used by NWXCMake.