robparrish / lightspeed-defunct

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LRC Kernels #4

Open robparrish opened 9 years ago

robparrish commented 9 years ago

All ERI-type integrals (and derivatives) should be modified to handle a kernel of the type a / r_12 + b erf(w r_12) / r_12. This should just be a matter of modifying the fundamental slightly. Note that the composition is immutable for a given integral computer, so the creation of a more-optimized fundamental for a- or b-only types can be done in the constructor.