point_charge.h File Reference

#include <array>
#include <occ/core/atom.h>
#include <occ/core/linear_algebra.h>

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Classes
class	occ::core::PointCharge

Namespaces
namespace	occ
namespace	occ::core
	fundamental functionality for linear algebra, utilities, molecules and more

Functions
std::vector< PointCharge >	occ::core::make_point_charges (const std::vector< Atom > &atoms)
constexpr unsigned int	occ::core::num_multipole_components (unsigned int order)
template<unsigned int order = 0>
auto	occ::core::compute_multipoles (const std::vector< PointCharge > &charges, const Vec3 &origin=Vec3::Zero())