dmc.cpp

   1 /*
   2  * Copyright (c) 2009 Mauro Iazzi
   3  *
   4  * Permission is hereby granted, free of charge, to any person
   5  * obtaining a copy of this software and associated documentation
   6  * files (the "Software"), to deal in the Software without
   7  * restriction, including without limitation the rights to use,
   8  * copy, modify, merge, publish, distribute, sublicense, and/or sell
   9  * copies of the Software, and to permit persons to whom the
  10  * Software is furnished to do so, subject to the following
  11  * conditions:
  12  *
  13  * The above copyright notice and this permission notice shall be
  14  * included in all copies or substantial portions of the Software.
  15  *
  16  * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND,
  17  * EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES
  18  * OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND
  19  * NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT
  20  * HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY,
  21  * WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING
  22  * FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR
  23  * OTHER DEALINGS IN THE SOFTWARE.
  24  */
  25
  26 #include "qmc.hpp"
  27 #include "config.hpp"
  28
  29 using namespace std;
  30
  31 int main (int argc, char **argv) {
  32     Config conf (argc, argv);
  33     SpinChain init = conf.init;
  34     double alpha = conf.alpha;
  35     int nspins = conf.nspins;
  36     int niter = conf.niter;
  37     std::ofstream &out = conf.out;
  38     bool print_state = conf.print_state;
  39     Energy en(conf.J, conf.D);
  40     //QMC<VarProb> mc(VarProb(alpha), init);
  41     Walker mc(VarProb(alpha), init, en);
  42
  43     bool accepted = true; // first value is always accepted
  44     double e = 0.0;
  45     double w = 0.0;
  46     std::string state_str = init.toString();
  47     for (int i=1;i<=niter;i++) {
  48         if (!accepted) {
  49             // e still contains the correct value
  50         } else {
  51             //e = en.compute(mc.state(), mc.helper(), mc.probability());
  52             e = mc.localEnergy();
  53             if (print_state) state_str = mc.state().toString();
  54         }
  55         w = mc.weight();
  56         if (conf.M) {
  57                 e = mc.state().staggeredMagnetization();
  58         }
  59         if (out.is_open()) {
  60             if (print_state) {
  61                 out << state_str << " " << (e/nspins) << " " << w << "\n";
  62             } else {
  63                 out << "* " << (e/nspins) << " " << w << "\n";
  64             }
  65         }
  66         accepted = mc.step();
  67     }
  68     if (out.is_open()) {
  69         out.close();
  70     }
  71     return 0;
  72 }
  73