xdm.h File Reference

#include <occ/dft/grid.h>
#include <occ/qm/mo.h>
#include <occ/qm/shell.h>
#include <occ/slater/slaterbasis.h>
#include <vector>

Include dependency graph for xdm.h:

Classes
struct	occ::xdm::XDMAtomList
class	occ::xdm::XDM
struct	occ::xdm::XDM::Parameters

Namespaces
namespace	occ
namespace	occ::xdm

Functions
std::pair< double, Mat3N >	occ::xdm::xdm_dispersion_energy (const XDMAtomList &atom_info, const XDM::Parameters &params={})
std::tuple< double, Mat3N, Mat3N >	occ::xdm::xdm_dispersion_interaction_energy (const XDMAtomList &atom_info_a, const XDMAtomList &atom_info_b, const XDM::Parameters &params={})