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

Include dependency graph for cartesian_kernels.h:

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Classes
struct	occ::mults::kernel_detail::TUV
	(t, u, v) tuple stored for each hermite index. More...

struct	occ::mults::kernel_detail::TUVTable< MaxL >
	Build the index-to-(t,u,v) table for all ranks up to MaxL at compile time. More...

struct	occ::mults::kernel_detail::WeightTable< MaxL >
	Precomputed weight table: (-1)^l / (t! u! v!) for site A, and 1 / (t! u! v!) for site B. More...

struct	occ::mults::kernel_detail::HermiteAddTable< MaxL >
	Precomputed hermite_index addition tables for contraction hot paths. More...

struct	occ::mults::kernel_detail::EnergyGradient
	Lightweight energy + gradient result (no Eigen dependency). More...

struct	occ::mults::EnergyForceFields
	Combined energy+force+fields kernel. More...

Functions
constexpr double	occ::mults::kernel_detail::fact (int n)
	Factorial lookup (sufficient for max index 8).

template<int Order>
double	occ::mults::contract_ranked (const CartesianMultipole< 4 > &A, int rankA, const InteractionTensor< Order > &T, const CartesianMultipole< 4 > &B, int rankB)
	Preweighted contraction: compute energy for multipoles with known ranks.

template<int Order>
kernel_detail::EnergyGradient	occ::mults::contract_ranked_with_force (const CartesianMultipole< 4 > &A, int rankA, const InteractionTensor< Order+1 > &T, const CartesianMultipole< 4 > &B, int rankB)
	Preweighted contraction with force: compute energy AND gradient dE/dR.

template<int Order, bool OtherSigned = false>
void	occ::mults::compute_interaction_field (int rankLocal, const InteractionTensor< Order > &T, const CartesianMultipole< 4 > &other, int rankOther, CartesianMultipole< 4 > &field)
	Compute per-site interaction field at a local site from another site's multipoles.

template<int HigherOrder, bool OtherSigned = false>
void	occ::mults::compute_interaction_field_from_tensor (int rankLocal, const InteractionTensor< HigherOrder > &T, const CartesianMultipole< 4 > &other, int rankOther, CartesianMultipole< 4 > &field)
	Compute interaction field from a pre-computed T-tensor of higher order.

template<int Order>
EnergyForceFields	occ::mults::compute_pair_ef_and_fields (const CartesianMultipole< 4 > &cartA, int rankA, const CartesianMultipole< 4 > &cartB, int rankB, double Rx, double Ry, double Rz)

Variables
constexpr TUVTable< 4 >	occ::mults::kernel_detail::tuv4 {}
	Global constexpr table for MaxL=4 (35 entries) and MaxL=8 (165 entries).

constexpr TUVTable< 8 >	occ::mults::kernel_detail::tuv8 {}

constexpr WeightTable< 4 >	occ::mults::kernel_detail::weights4 {}

constexpr HermiteAddTable< 4 >	occ::mults::kernel_detail::add_table4 {}

Classes

Namespaces