#include <array>
#include <occ/core/atom.h>
#include <occ/core/linear_algebra.h>
#include <occ/xtb/anisotropic.h>
#include <occ/xtb/periodic.h>
#include <vector>

Include dependency graph for multipole_ewald.h:

This graph shows which files directly or indirectly include this file:

Classes
struct	occ::xtb::MultipolePairTensors

Namespaces
namespace	occ

namespace	occ::xtb

Functions
MultipolePairTensors	occ::xtb::build_multipole_ewald_tensors (const PeriodicSystem &sys, const Vec &mp_radii, const Gfn2Parameters &params, double tol=1e-10, double alpha_user=0.0)

MultipolePairTensors	occ::xtb::build_molecular_multipole_tensors (const std::vector< core::Atom > &atoms, const Vec &mp_radii, const Gfn2Parameters &params)

AnisotropicEnergy	occ::xtb::anisotropic_energy_ewald (const std::vector< core::Atom > &atoms, const Vec &q, const CammMoments &m, const MultipolePairTensors &tensors, const Gfn2Parameters &params)

AnisotropicPotentials	occ::xtb::anisotropic_potentials_ewald (const std::vector< core::Atom > &atoms, const Vec &q, const CammMoments &m, const MultipolePairTensors &tensors, const Gfn2Parameters &params)

Classes

Namespaces

Functions