mcpele: gaussian_coords_displacement.cpp Source File

00001 #include "mcpele/gaussian_coords_displacement.h"
00002 
00003 namespace mcpele {
00004 
00005 GaussianCoordsDisplacement::GaussianCoordsDisplacement(const size_t rseed, const double stepsize)
00006     : m_seed(rseed),
00007       m_mean(0.0),
00008       m_stdev(1.0),
00009       m_generator(rseed),
00010       m_distribution(m_mean, m_stdev),
00011       m_stepsize(stepsize),
00012       m_count(0)
00013 {
00014     #ifdef DEBUG
00015         std::cout<<"seed TakeStep:"<<_seed<< "\n";
00016     #endif
00017 }
00018 
00019 void GaussianCoordsDisplacement::displace(pele::Array<double>& coords, MC* mc)
00020 {
00021     //assert(coords.size() == _N);
00022     for(size_t i = 0; i < coords.size(); ++i){
00023         double randz = m_distribution(m_generator); //this is sample from N(0,1)
00024         coords[i] += randz * m_stepsize; //here the stepsize plays the same role as the stdev. This is sampled from N(0,stepsize)
00025     }
00026     ++m_count;
00027 }
00028 
00029 } // namespace mcpele