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run_optim.cpp
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1 /*****************************************************************************
2  *
3  * ALPS MPS DMRG Project
4  *
5  * Copyright (C) 2013 Institute for Theoretical Physics, ETH Zurich
6  * 2013-2013 by Michele Dolfi <dolfim@phys.ethz.ch>
7  *
8  * This software is part of the ALPS Applications, published under the ALPS
9  * Application License; you can use, redistribute it and/or modify it under
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13  * You should have received a copy of the ALPS Application License along with
14  * the ALPS Applications; see the file LICENSE.txt. If not, the license is also
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26 
27 #include <boost/filesystem/fstream.hpp>
28 #include <string>
29 
30 #include "libpscan/run_sim.hpp"
31 
34 
35 
36 void run_sim(const boost::filesystem::path& infile, const boost::filesystem::path& outfile,
37  bool write_xml, double time_limit)
38 {
39  maquis::cout.precision(10);
40 
41  /// Load parameters
42  DmrgParameters parms;
43  {
44  boost::filesystem::ifstream param_file(infile);
45  if (!param_file)
46  throw std::runtime_error(std::string("Could not open parameter file ") + infile.string() +".");
47  alps::Parameters p; p.extract_from_xml(param_file);
48  parms = DmrgParameters(p);
49  }
50 
51  /// Match parameters of ALPS DMRG
52  parms.set("chkpfile", (outfile.parent_path() / outfile.stem()).string() + ".chkp");
53  parms.set("resultfile", (outfile.parent_path() / outfile.stem()).string() + ".h5");
54  parms.set("run_seconds", time_limit);
55  if (parms.defined("SWEEPS")) parms.set("nsweeps", int(parms["SWEEPS"]));
56  if (parms.defined("TRUNCATION_ERROR")) parms.set("truncation_final", parms["TRUNCATION_ERROR"]);
57 
58  if (parms.defined("NUMSTATES")) {
59  parms.set("max_bond_dimension", int(parms["NUMSTATES"]));
60  } else if (parms.defined("MAXSTATES")) {
61  std::stringstream ss;
62 
63  int init_bond = 20;
64  double step = (int(parms["MAXSTATES"]) - init_bond) / (parms["nsweeps"]-1);
65 
66  ss << init_bond;
67  for (int sweep = 1; sweep < parms["nsweeps"]; ++sweep) {
68  ss << "," << int(init_bond + step*sweep);
69  }
70 
71  parms.set("sweep_bond_dimensions", ss.str());
72  } else if (parms.defined("STATES")) {
73  parms.set("sweep_bond_dimensions", parms["NUMSTATES"].str());
74  }
75  if (!parms.defined("max_bond_dimension") && !parms.defined("sweep_bond_dimensions"))
76  throw std::runtime_error("Number of renormalized states not set.");
77 
78  /// Start simulation
79  simulation_traits::shared_ptr sim = dmrg::symmetry_factory<simulation_traits>(parms);
80  sim->run(parms, write_xml, optim_and_measure);
81 }
virtual void run()=0
Definition: sim.h:69
void set(std::string const &key, T const &value)
run one parameter set
wrapper of eigenstate_sim for symmetry factory
boost::shared_ptr< simulation_base > shared_ptr
Definition: simulation.hpp:46
void run_sim(const boost::filesystem::path &infile, const boost::filesystem::path &outfile, bool write_xml, double time_limit)
Definition: run_optim.cpp:36
symmetry factory: runtime dispatch for SymmGroup template argument