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density.h
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density.h
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/*
Developed by Sandeep Sharma and Garnet K.-L. Chan, 2012
Copyright (c) 2012, Garnet K.-L. Chan
This program is integrated in Molpro with the permission of
Sandeep Sharma and Garnet K.-L. Chan
*/
#ifndef SPIN_DENSITY_HEADER
#define SPIN_DENSITY_HEADER
#include "Operators.h"
#include "spinblock.h"
#include "wavefunction.h"
namespace SpinAdapted{
class DensityMatrix : public SpinAdapted::SparseMatrix
{
private:
void add_twodot_noise(const SpinBlock &big, const double noise);
void add_onedot_noise(const std::vector<Wavefunction>& wave_solutions, SpinBlock& big, const double noise, bool act2siteops = true);
void add_simulatedtwodot_noise(const std::vector<Wavefunction>& wave_solutions, SpinBlock& big, const double noise);
public:
DensityMatrix()
{
orbs = std::vector<int>();
initialised = true;
fermion = false;
deltaQuantum = SpinQuantum(0, 0, IrrepSpace(0));
}
void makedensitymatrix(const std::vector<Wavefunction>& wave_solutions, SpinBlock &big, const std::vector<double> &wave_weights,
const double noise, const double additional_noise, bool warmup);
DensityMatrix& operator+=(const DensityMatrix& other);
boost::shared_ptr<SparseMatrix> getworkingrepresentation(const SpinBlock* block) {return boost::shared_ptr<SparseMatrix> (this);}
void build(const SpinBlock& b){};
double redMatrixElement(Csf c1, vector<Csf>& ladder, const SpinBlock* b){return 0.0;}
};
}
#endif