multipole_coarsening.h File Reference

#include <occ/mults/cartesian_multipole.h>
#include <occ/mults/cartesian_molecule.h>

Include dependency graph for multipole_coarsening.h:

Namespaces
namespace	occ
namespace	occ::mults

Functions
void	occ::mults::shift_multipole_to_origin (const CartesianMultipole< 4 > &input, int input_rank, const Vec3 &displacement, CartesianMultipole< 4 > &output)
	Shift a Cartesian multipole from its current origin to a new origin.
CartesianMolecule	occ::mults::merge_to_single_site (const CartesianMolecule &mol)
	Merge all sites of a molecule into a single effective site.
CartesianMolecule	occ::mults::merge_to_single_site (const CartesianMolecule &mol, const Vec3 &origin)
	Merge all sites of a molecule into a single effective site at a specified origin.