#include <potentialint.h>
This is a cheesy modification to PotentialInt, to allow the in-place handling of integrals to avoid storage N.B. The integrals are computed directly in the Cartesian basis and are not transformed, for efficiency. To use this code, you should transform any matrices to be contracted with these integrals to the Cartesian basis first.
By defining the compute function of integral to be a template class, we can write classes (functors) that will be inlined into the innermost loops, allowing us to do different tasks without re-writing the code or having to make function calls. (AS)
NB: This code must be specified in the .h file in order for the compiler to properly in-line the functors. (TDC)
Drives the loops over all shell pairs, to compute integrals.