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occ::mults::kernel_detail Namespace Reference

Classes

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! More...
struct  HermiteAddTable
 Precomputed hermite_index addition tables for contraction hot paths. More...
struct  EnergyGradient
 Lightweight energy + gradient result (no Eigen dependency). 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()

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

Factorial lookup (sufficient for max index 8).

Variable Documentation

◆ add_table4

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

◆ tuv4

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

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

◆ tuv8

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

◆ weights4

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