wolf.h File Reference

#include <occ/core/linear_algebra.h>
#include <occ/interaction/energy_model_base.h>
#include <occ/interaction/pair_energy.h>
#include <vector>

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Classes
struct	occ::interaction::WolfParameters
struct	occ::interaction::WolfCouplingTerm
struct	occ::interaction::WolfCouplingResult
class	occ::interaction::WolfSum

Namespaces
namespace	occ
namespace	occ::interaction
	interactions energies including CrystalExplorer model energies

Functions
double	occ::interaction::wolf_coulomb_energy (double qi, const Vec3 &pi, Eigen::Ref< const Vec > qj, Eigen::Ref< const Mat3N > pj, const WolfParameters &params)
double	occ::interaction::wolf_pair_energy (Eigen::Ref< const Vec > charges_a, Eigen::Ref< const Mat3N > positions_a, Eigen::Ref< const Vec > charges_b, Eigen::Ref< const Mat3N > positions_b, const WolfParameters &params)
Mat3N	occ::interaction::wolf_electric_field (Eigen::Ref< const Vec > charges, Eigen::Ref< const Mat3N > source_positions, Eigen::Ref< const Mat3N > target_positions, const WolfParameters &params)
WolfCouplingResult	occ::interaction::compute_wolf_coupling_terms (const std::vector< Mat3N > &electric_fields_per_neighbor, Eigen::Ref< const Vec > polarizabilities)