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 96 of file MMFF/Params.h.

Member Data Documentation

a_ij

double ForceFields::MMFF::MMFFHerschbachLaurie::a_ij

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

d_ij

double ForceFields::MMFF::MMFFHerschbachLaurie::d_ij

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

dp_ij

double ForceFields::MMFF::MMFFHerschbachLaurie::dp_ij

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

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

• MMFF/Params.h