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forcefields::zhu_philpott_parameters::Standard Struct Reference

Standard parameters for ZhuPhilpott. More...

#include <zhu_philpott_parameters.hpp>

Inheritance diagram for forcefields::zhu_philpott_parameters::Standard:

Static Public Attributes

static double const sigmaO_ = 2.86
static double const epsilonO_ = 0.0023734176137013181
static double const sigmaH_ = 2.56
static double const epsilonH_ = 0.00087578073518673099
static double const C10_O_ = 1.28
static double const C10_H_ = 1.2
static double const alpha_ = 0.8
static double const sigmaHPt_ = 2.730249677569295
static double const sigmaOPt_ = 2.7735458150747108
static double const epsilonHPt_ = 0.016217645873043762
static double const epsilonOPt_ = 0.03387330127291549

Detailed Description

Standard parameters for ZhuPhilpott.

This is the parameterisation published in the original paper by Zhu and Phillpott. The binding energy of one molecule on a (100) surface is 0.50 eV

Definition at line 30 of file zhu_philpott_parameters.hpp.

Member Data Documentation

◆ alpha_

double const Standard::alpha_ = 0.8
static

Definition at line 37 of file zhu_philpott_parameters.hpp.

◆ C10_H_

double const Standard::C10_H_ = 1.2
static

Definition at line 36 of file zhu_philpott_parameters.hpp.

◆ C10_O_

double const Standard::C10_O_ = 1.28
static

Definition at line 35 of file zhu_philpott_parameters.hpp.

◆ epsilonH_

double const Standard::epsilonH_ = 0.00087578073518673099
static

Definition at line 34 of file zhu_philpott_parameters.hpp.

◆ epsilonHPt_

double const Standard::epsilonHPt_ = 0.016217645873043762
static

Definition at line 40 of file zhu_philpott_parameters.hpp.

◆ epsilonO_

double const Standard::epsilonO_ = 0.0023734176137013181
static

Definition at line 32 of file zhu_philpott_parameters.hpp.

◆ epsilonOPt_

double const Standard::epsilonOPt_ = 0.03387330127291549
static

Definition at line 41 of file zhu_philpott_parameters.hpp.

◆ sigmaH_

double const Standard::sigmaH_ = 2.56
static

Definition at line 33 of file zhu_philpott_parameters.hpp.

◆ sigmaHPt_

double const Standard::sigmaHPt_ = 2.730249677569295
static

Definition at line 38 of file zhu_philpott_parameters.hpp.

◆ sigmaO_

double const Standard::sigmaO_ = 2.86
static

Definition at line 31 of file zhu_philpott_parameters.hpp.

◆ sigmaOPt_

double const Standard::sigmaOPt_ = 2.7735458150747108
static

Definition at line 39 of file zhu_philpott_parameters.hpp.

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