Open-source cheminformatics and machine learning.
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 103 of file MMFF/Params.h.

Member Data Documentation

double ForceFields::MMFF::MMFFCovRadPauEle::chi

Definition at line 106 of file MMFF/Params.h.

double ForceFields::MMFF::MMFFCovRadPauEle::r0

Definition at line 105 of file MMFF/Params.h.

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