eonc::tunneling::InstantonOptions Struct Reference

#include <Tunneling.h>

Public Attributes
long	beads = 256
	P: segments from one minimum to the other.
double	betaHbarOmega = 30.0
	beta hbar omega of the stiffer end along the path; sets the imaginary time
long	maxIterations = 5000
	L-BFGS iterations.
double	forceTolerance = 1e-4
	largest per-bead |dS/dq| / dtau, eV / (amu^0.5 Angstrom)
long	memory = 20
	L-BFGS correction pairs.

Detailed Description

Definition at line 140 of file Tunneling.h.

Member Data Documentation

beads

long eonc::tunneling::InstantonOptions::beads = 256

P: segments from one minimum to the other.

Definition at line 141 of file Tunneling.h.

betaHbarOmega

double eonc::tunneling::InstantonOptions::betaHbarOmega = 30.0

beta hbar omega of the stiffer end along the path; sets the imaginary time

Definition at line 142 of file Tunneling.h.

forceTolerance

double eonc::tunneling::InstantonOptions::forceTolerance = 1e-4

largest per-bead |dS/dq| / dtau, eV / (amu^0.5 Angstrom)

Definition at line 145 of file Tunneling.h.

maxIterations

long eonc::tunneling::InstantonOptions::maxIterations = 5000

L-BFGS iterations.

Definition at line 144 of file Tunneling.h.

memory

long eonc::tunneling::InstantonOptions::memory = 20

L-BFGS correction pairs.

Definition at line 147 of file Tunneling.h.

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

• /home/runner/work/eOn/eOn/include/eon/Tunneling.h