//****************************************************************************

//! \file Tsimmain.hpp
//! \date 24-11-2003

//! \class Tsimmain
//! \brief The main class of the simulation

//*****************************************************************************

//     This file is part of pinpot.
//
//     pinpot is free software; you can redistribute it and/or modify
//     it under the terms of the GNU General Public License as published by
//     the Free Software Foundation; either version 2 of the License, or
//     (at your option) any later version.
//
//     pinpot is distributed in the hope that it will be useful,
//     but WITHOUT ANY WARRANTY; without even the implied warranty of
//     MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
//     GNU General Public License for more details.
//
//     You should have received a copy of the GNU General Public License
//     along with pinpot; if not, write to the Free Software
//     Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA

//*****************************************************************************

#ifndef TSIMMAIN_HPP
#define TSIMMAIN_HPP

#include <vector>
#include <iostream>
#include <sstream>
#include <fstream>
#include <cmath>
#include <mkl_lapack.h>
#include <mkl_blas.h>

using namespace std;

//*****************************************************************************
class Tsimmain
//-----------------------------------------------------------------------------
//! This is the main class of the Simulation encapsulating everything necessary to do
//! the job
//*****************************************************************************
{
// the Lapack parameters
	int *itype;
	char *jobz;
	char *uplo;
	double *work;
	int *lwork;
	int *info;

	int N;//!< Dimension of the problem
	std::vector<std::ofstream*> ofiles;//!< the output streams
	std::vector<std::ofstream*>::iterator ofit;//!< the iterator to ofiles

	double **S;//!< the S matrix (the Overlapp Matrix)
	double **H;//!< the H matrix (the Hamiltonian) (and afterwards the C Matrix (Eigenvectors))
	double *E;//!< the E matrix (the Eigenvalues (Energy))

	double h;//!< a helper variable (always comes in handy)
	bool first;//!< first try 
	//! \brief function Initializing everythin necessary
	void InitMatrices();

	//! \brief calculates the S matrix for the given N
	void makeS();
	//! \brief calculates the H matrix for the given N
	void makeH();
	//! \brief convert c matrix to fortran stuff
	double *ctof( double **in, int rows, int cols);
	//! \brief convert fortran matrix to c stuff
	void ftoc( double *in, double **out, int rows, int cols);
	//! \brief normalize the Eigenvectors
	void normalize( double **matrix);
	
	//! \brief calculates the base functions
	//! \param x the parameter of the base function
	//! \para, alphaorder of the base function
	inline const double chi( const double x, const int alpha) const;
	
public:

	//! \brief Constructor
	Tsimmain();

	//! \brief Destructor
	~Tsimmain();

	//! \brief function Initializing everythin necessary
	//! \param inN the dimension
	void Init( const int inN = 6);
	
	//! \brief this is the function doing the real work
	bool Execute();
};


#endif