ForceFields::MMFF::MMFFCovRadPauEle Class Reference

#include <Params.h>

Public Attributes
double	r0
double	chi

Detailed Description

class to store covalent radius and Pauling electronegativity values for MMFF bond stretching empirical rule

Definition at line 97 of file MMFF/Params.h.

Member Data Documentation

chi

double ForceFields::MMFF::MMFFCovRadPauEle::chi

Definition at line 100 of file MMFF/Params.h.

r0

double ForceFields::MMFF::MMFFCovRadPauEle::r0

Definition at line 99 of file MMFF/Params.h.

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

• MMFF/Params.h