evaleev / libint

Libint: high-performance library for computing Gaussian integrals in quantum mechanics
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Reorder W integrals #304

Closed JonathonMisiewicz closed 6 months ago

JonathonMisiewicz commented 6 months ago

Reorder W integrals to be W0, Wx, Wy, Wz. Previously, they were W0, Wz, Wx, Wy.