RDKit: ForceFields::MMFF::MMFFVdW Class Reference

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ForceFields::MMFF::MMFFVdW Class Reference

class to store MMFF parameters for non-bonded Van der Waals More...

`#include <Params.h>`

## Public Attributes
double | alpha_i
double | N_i
double | A_i
double | G_i
double | R_star
boost::uint8_t | DA

## Detailed Description

class to store MMFF parameters for non-bonded Van der Waals

Definition at line 138 of file MMFF/Params.h.

## Member Data Documentation

double ForceFields::MMFF::MMFFVdW::A_i

Definition at line 142 of file MMFF/Params.h.

double ForceFields::MMFF::MMFFVdW::alpha_i

Definition at line 140 of file MMFF/Params.h.

boost::uint8_t ForceFields::MMFF::MMFFVdW::DA

Definition at line 145 of file MMFF/Params.h.

double ForceFields::MMFF::MMFFVdW::G_i

Definition at line 143 of file MMFF/Params.h.

double ForceFields::MMFF::MMFFVdW::N_i

Definition at line 141 of file MMFF/Params.h.

double ForceFields::MMFF::MMFFVdW::R_star

Definition at line 144 of file MMFF/Params.h.

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

- MMFF/Params.h