partitioning.h File Reference

#include <occ/qm/mo.h>
#include <occ/qm/shell.h>
#include <occ/qm/spinorbital.h>

Include dependency graph for partitioning.h:

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

Functions
Vec	occ::qm::mulliken_partition (const AOBasis &basis, const MolecularOrbitals &mo, Eigen::Ref< const Mat > op)