/*************************************************************************************
* *
* ***** OpenThermo ***** *
* Calculation of thermodynamic functions from molecular data *
* Copyright 2008 Konstantin Tokarev <annulen@users.sourceforge.net> *
* and others *
* *
*************************************************************************************
* *
* This program is free software; you can redistribute it and/or modify *
* it under the terms of the GNU General Public License. See COPYING for *
* more details *
* *
*************************************************************************************
* Module name : rotation.hpp *
* Author : Tokarev. K *
* Last modification : 2008/06/30 *
* Description : Header for rotation.cpp *
* *
*************************************************************************************/
#ifndef ROTATIONS_HPP
#define ROTATIONS_HPP
#include "mathmodule.hpp"
enum ROTATION {FREE,
HINDERED_HARMONIC,
HINDERED_POLYNOM,
HINDERED_DISCREET};
//double RotationIntegral(int type, double T, double * argv);
double RotationIntegral(double T, PES_1D & Barrier);
#endif