#include <occ/qm/cc/uintegrals.h>
#include <unsupported/Eigen/CXX11/Tensor>

Include dependency graph for utriples.h:

Namespaces
namespace	occ

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

namespace	occ::qm::cc

Functions
double	occ::qm::cc::uccsd_t (const UCCIntegrals &e, const Eigen::Tensor< double, 2 > &t1a, const Eigen::Tensor< double, 2 > &t1b, const Eigen::Tensor< double, 4 > &t2aa, const Eigen::Tensor< double, 4 > &t2ab, const Eigen::Tensor< double, 4 > &t2bb)
	Perturbative (T) correction for spin-adapted unrestricted CCSD, evaluated natively from the spin-blocked UCCIntegrals (no spin-orbital integral build).

Namespaces

Functions