QMcBeaver: QMCSurfer.h Source File

00001 /*
00002   Copyright (c) Amos G. Anderson 2007
00003   Distributed under GNU general public license (GPL)
00004   No guarantee or warantee regarding usability or stability is expressed or implied.
00005   nitroamos@gmail.com
00006 */
00007 
00008 #ifndef QMCSURFER_H
00009 #define QMCSURFER_H
00010 
00011 #include <string>
00012 
00013 #include "Array2D.h"
00014 #include "QMCWalkerData.h"
00015 #include "QMCFunctions.h"
00016 #include <iostream>
00017 #include <iomanip>
00018 
00019 using namespace std;
00020 
00038 class QMCSurfer
00039 {
00040  private:
00041   QMCFunctions * QMF;
00042   Array2D<double> R;
00043   QMCWalkerData walkerData;
00044 
00045  public:
00046   QMCSurfer();
00047   ~QMCSurfer();
00048 
00049   int mainMenu(QMCFunctions * QMF, int iteration,
00050                Array2D<double> newR);
00051 
00052   void interparticleDistanceMatrix();
00053   void equipotentialSurface();
00054   void scanEnergies(int, int, int, int, double, double, double);
00055   void surfaceExplorer();
00056 };
00057 
00058 #endif