ECPIntegral Class Reference

Calculates ECP integrals. More...

#include <ecpint.h>

Detailed Description

Calculates ECP integrals.

Given an ECP basis, and orbital bases, this will calculate the ECP integrals over all ECP centers. TODO: Implement derivatives (identical to normal integrals, but with shifted angular momenta)

The documentation for this class was generated from the following file: