occ::mults::kernel_detail Namespace Reference

Classes
struct	EnergyGradient
	Lightweight energy + gradient result (no Eigen dependency). More...
struct	HermiteAddTable
	Precomputed hermite_index addition tables for contraction hot paths. More...
struct	TUV
	(t, u, v) tuple stored for each hermite index. More...
struct	TUVTable
	Build the index-to-(t,u,v) table for all ranks up to MaxL at compile time. More...
struct	WeightTable
	Precomputed weight table: (-1)^l / (t! u! v!) for site A, and 1 / (t! u! v!) for site B. More...

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

Variables
constexpr TUVTable< 4 >	tuv4 {}
	Global constexpr table for MaxL=4 (35 entries) and MaxL=8 (165 entries).
constexpr TUVTable< 8 >	tuv8 {}
constexpr WeightTable< 4 >	weights4 {}
constexpr HermiteAddTable< 4 >	add_table4 {}

Function Documentation

fact()

constexpr double occ::mults::kernel_detail::fact ( int  n )

inlineconstexpr

Factorial lookup (sufficient for max index 8).

Variable Documentation

add_table4

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

inlineconstexpr

tuv4

constexpr TUVTable<4> occ::mults::kernel_detail::tuv4 {}

inlineconstexpr

Global constexpr table for MaxL=4 (35 entries) and MaxL=8 (165 entries).

tuv8

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

inlineconstexpr

weights4

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

inlineconstexpr