h0.h File Reference

#include <occ/core/atom.h>
#include <occ/core/linear_algebra.h>
#include <occ/gto/shell.h>

Include dependency graph for h0.h:

Namespaces
namespace	occ
namespace	occ::xtb

Functions
Vec	occ::xtb::compute_self_energies (const ShellTable &shells, const Vec &cn)
Mat	occ::xtb::build_h0 (const std::vector< core::Atom > &atoms, const Gfn2Parameters &params, const ShellTable &shells, const gto::AOBasis &basis, const Mat &overlap, const Vec &cn)