GPUQMCJastrowElectronElectron.h

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/*
  Copyright (c) Amos G. Anderson 2005
  Distributed under GNU general public license (GPL)
  No guarantee or warantee regarding usability or stability is expressed or implied.
  nitroamos@gmail.com
*/

#ifndef GPU_JASTROWELECTRONELECTRON
#define GPU_JASTROWELECTRONELECTRON

#ifdef QMC_GPU

#include <iostream>
#include <stdlib.h>
#include <assert.h>
#include <math.h>
#include <vector>
#include <string>
#include "GPUGlobals.h"
#include "GPUQMCFramebuffer.h"
#include "Array1D.h"
#include "Array2D.h"
#include "Stopwatch.h"
#include "QMCJastrowElectronElectron.h"

class GPUQMCJastrowElectronElectron : public QMCJastrowElectronElectron, GPUGlobals
  {
    public:
    
      GPUQMCJastrowElectronElectron();
      
      GPUQMCJastrowElectronElectron(QMCJastrowElectronElectron jee, int max_calcs);
      
      void operator=(const GPUQMCJastrowElectronElectron &rhs);
      
      GLuint runCalculation(GLuint aElectronsTexID, GLuint bElectronsTexID, int num);
      
      void unloadResults();

      double getLnJastrow(int which);

      Array2D<double> * getGradientLnJastrow(int which);

      double getLaplacianLnJastrow(int which);

      int getNumIterations();

      ~GPUQMCJastrowElectronElectron();
      
    private:
    
      void setUpInputs();
      
      string generatePolynomialShader(int which);

      string generateTranslationShader(int which);

      string generateReductionShader();

      string generateGradientReductionShader(int which);

      void translateElectronPositions(GLuint aElectronsTexID, GLuint bElectronsTexID);

      void sumAllJastrowValues();

      void sumGradJastrowValues();

      void unloadData(GPUQMCFramebuffer & fb, int w, int h);

      string coeffToCgString(Array1D<double> & input, string name);
      
      void loadShaders();
      
      void drawPrimative(GLfloat maxs, GLfloat maxt, GLfloat sShift, GLfloat tShift);

      void drawTriangles(GLfloat maxs, GLfloat maxt, int nCols, int nRows);

      static const int aa = 0;
      static const int bb = 1;
      static const int ab = 2;

      int nRows, nCols;
      
      int allocatedRows, allocatedCols;
      
      int numE, numA, numB, numLarger;
      
      int elecW, elecH;
      
      Array1D<double> array_sum;
      Array1D< Array2D<double> > array_grad_sum;
      Array1D<double> array_lap_sum;

      GLfloat * cpuData;

      static vector<CGprogram> mapElectronsCG;
      static CGparameter mixedInputCGP;
      static vector<CGparameter> inputCGP;

      static vector<CGprogram> polynomialCG;
      static vector<CGparameter> polyInputCGP;

      static CGprogram sumReductionCG;
      static vector<CGparameter> sumReductionCGP;

      static vector<CGprogram> gradientReductionCG;
      static vector<CGparameter> gradientReductionCGP;

      GPUQMCFramebuffer * r1r2FB;
      GPUQMCFramebuffer * polynomialFB;
      GPUQMCFramebuffer * finalUandLapUFB;
      GPUQMCFramebuffer * finalGradUFB;
  };
#endif
#endif

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