mo_integral_engine.h File Reference

#include <occ/core/linear_algebra.h>
#include <occ/qm/integral_engine.h>
#include <occ/qm/mo.h>

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Classes
class	occ::qm::MOIntegralEngine
	Lightweight holder of molecular-orbital information for post-HF methods, plus a brute-force single MO electron-repulsion integral evaluator kept as a reference/testing utility. More...

Namespaces
namespace	occ
namespace	occ::qm
	quantum mechanics/quantum chemistry functionality including Hartree-Fock and more