ForceFields::DistanceConstraintContribsParams Struct Reference

#include <DistanceConstraints.h>

Public Member Functions
	DistanceConstraintContribsParams (unsigned int idx1, unsigned int idx2, double minLen, double maxLen, double forceConstant=1.0)

Public Attributes
unsigned int	idx1 {0}
	index of atom1 of the distance constraint
unsigned int	idx2 {0}
	index of atom2 of the distance constraint
double	minLen {0.0}
	lower bound of the flat bottom potential
double	maxLen {0.0}
	upper bound of the flat bottom potential
double	forceConstant {1.0}
	force constant for distance constraint

Detailed Description

Definition at line 20 of file DistanceConstraints.h.

Constructor & Destructor Documentation

DistanceConstraintContribsParams()

ForceFields::DistanceConstraintContribsParams::DistanceConstraintContribsParams ( unsigned int  idx1, unsigned int  idx2, double  minLen, double  maxLen, double  forceConstant = 1.0  )

inline

Definition at line 26 of file DistanceConstraints.h.

Member Data Documentation

forceConstant

double ForceFields::DistanceConstraintContribsParams::forceConstant {1.0}

force constant for distance constraint

Definition at line 25 of file DistanceConstraints.h.

idx1

unsigned int ForceFields::DistanceConstraintContribsParams::idx1 {0}

index of atom1 of the distance constraint

Definition at line 21 of file DistanceConstraints.h.

idx2

unsigned int ForceFields::DistanceConstraintContribsParams::idx2 {0}

index of atom2 of the distance constraint

Definition at line 22 of file DistanceConstraints.h.

maxLen

double ForceFields::DistanceConstraintContribsParams::maxLen {0.0}

upper bound of the flat bottom potential

Definition at line 24 of file DistanceConstraints.h.

minLen

double ForceFields::DistanceConstraintContribsParams::minLen {0.0}

lower bound of the flat bottom potential

Definition at line 23 of file DistanceConstraints.h.

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

• DistanceConstraints.h