occ
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#include <occ/core/linear_algebra.h>
#include <occ/core/timings.h>
#include <occ/qm/shell.h>
#include <occ/qm/spinorbital.h>
Namespaces | |
namespace | occ |
namespace | occ::qm |
quantum mechanics/quantum chemistry functionality including Hartree-Fock and more | |
Functions | |
template<SpinorbitalKind sk, Shell::Kind kind> | |
Mat | occ::qm::shellblock_norm (const AOBasis &basis, const Mat &matrix) noexcept |