Open-source cheminformatics and machine learning.
ForceFields::MMFF::MMFFHerschbachLaurie Class Reference

#include <Params.h>

Public Attributes

double a_ij
double d_ij
double dp_ij

Detailed Description

class to store parameters for Herschbach-Laurie's version of Badger's rule

Definition at line 94 of file MMFF/Params.h.

Member Data Documentation

double ForceFields::MMFF::MMFFHerschbachLaurie::a_ij

Definition at line 96 of file MMFF/Params.h.

double ForceFields::MMFF::MMFFHerschbachLaurie::d_ij

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

double ForceFields::MMFF::MMFFHerschbachLaurie::dp_ij

Definition at line 98 of file MMFF/Params.h.

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