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eonc::tunneling::RingSeed Struct Reference

Closed ring of beads samples of path whose imaginary-time period is betaHbar. More...

#include <Tunneling.h>

Public Attributes

double energy = 0.0
double period = 0.0
double pathLow = 0.0
 the higher of the path's two end energies
bool reached = false

Detailed Description

Closed ring of beads samples of path whose imaginary-time period is betaHbar.

Bead 0 is the reactant-side turning point and bead N/2 the other; bead N - j repeats bead j. Throws when the path has no barrier, or when the period at the barrier top already exceeds betaHbar. What ringFromPath chose: the orbit energy, its period, and whether that period reaches betaHbar. When the path ends before a long enough orbit (its ends sit above the wells), the lowest orbit it holds is used and reached is false; that ring belongs to a higher temperature.

Definition at line 185 of file Tunneling.h.

Member Data Documentation

◆ energy

double eonc::tunneling::RingSeed::energy = 0.0

Definition at line 186 of file Tunneling.h.

◆ pathLow

double eonc::tunneling::RingSeed::pathLow = 0.0

the higher of the path's two end energies

Definition at line 188 of file Tunneling.h.

◆ period

double eonc::tunneling::RingSeed::period = 0.0

Definition at line 187 of file Tunneling.h.

◆ reached

bool eonc::tunneling::RingSeed::reached = false

Definition at line 189 of file Tunneling.h.


The documentation for this struct was generated from the following file: