Where a ring sits against the saddle it was seeded from, in mass-weighted coordinates. More...

#include <Tunneling.h>

Public Attributes
double	sMin = 0.0
	least s over the beads, amu^0.5 Angstrom
double	sMax = 0.0
	greatest s over the beads
double	chordOverlap = 0.0
	\|cos\| of the angle between the chord joining the turning points and the unstable mode.
double	crossingOffset = 0.0
	Largest distance from the saddle, across the mode, of a point where the ring crosses the dividing plane s = 0.
bool	belongs = false
	Beads on both sides of the dividing plane, the chord within 60 degrees of the mode, and every crossing within sMax - sMin of the saddle.

Detailed Description

Where a ring sits against the saddle it was seeded from, in mass-weighted coordinates.

s = (q - saddle) . mode along the unstable mode; the turning points are the beads of least and greatest s.

Definition at line 566 of file Tunneling.h.

Member Data Documentation

bool eonc::tunneling::RingChannel::belongs = false

Beads on both sides of the dividing plane, the chord within 60 degrees of the mode, and every crossing within sMax - sMin of the saddle.

A ring around a neighbouring saddle can still straddle the plane, but it crosses it far from this saddle.

Definition at line 579 of file Tunneling.h.

double eonc::tunneling::RingChannel::chordOverlap = 0.0

|cos| of the angle between the chord joining the turning points and the unstable mode.

Definition at line 571 of file Tunneling.h.

double eonc::tunneling::RingChannel::crossingOffset = 0.0

Largest distance from the saddle, across the mode, of a point where the ring crosses the dividing plane s = 0.

Definition at line 574 of file Tunneling.h.

double eonc::tunneling::RingChannel::sMax = 0.0

greatest s over the beads

Definition at line 568 of file Tunneling.h.

double eonc::tunneling::RingChannel::sMin = 0.0

least s over the beads, amu^0.5 Angstrom

Definition at line 567 of file Tunneling.h.

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