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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 98 of file MMFF/Params.h.

Member Data Documentation

◆ chi

double ForceFields::MMFF::MMFFCovRadPauEle::chi

Definition at line 101 of file MMFF/Params.h.

◆ r0

double ForceFields::MMFF::MMFFCovRadPauEle::r0

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


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