Commit 55c89616 authored by gbalduzz's avatar gbalduzz
Browse files

Merge branch 'autocorrelation' into write_config_timestamps

parents a7d1f046 f845f7c7

include/dca/phys/dca_loop/dca_loop.hpp

+37 −31
Original line number Diff line number Diff line
@@ -20,7 +20,6 @@ 


#include "dca/function/domains.hpp"

#include "dca/io/hdf5/hdf5_writer.hpp"

#include "dca/io/json/json_writer.hpp"

#include "dca/phys/dca_algorithms/compute_greens_function.hpp"

#include "dca/phys/dca_loop/dca_loop_data.hpp"

#include "dca/phys/dca_step/cluster_mapping/cluster_exclusion.hpp"
@@ -91,6 +90,8 @@ protected: 


  void update_DCA_loop_data_functions(int DCA_iteration);



  void writeWalkerData(int i);



  ParametersType& parameters;

  DcaDataType& MOMS;

  concurrency_type& concurrency;
@@ -106,6 +107,9 @@ private: 


  update_chemical_potential_type update_chemical_potential_obj;



  std::string file_name_;

  io::HDF5Writer output_file_;



protected:

  MCIntegratorType monte_carlo_integrator_;

};
@@ -129,9 +133,13 @@ DcaLoop<ParametersType, DcaDataType, MCIntegratorType>::DcaLoop(ParametersType& 
      update_chemical_potential_obj(parameters, MOMS, cluster_mapping_obj),



      monte_carlo_integrator_(parameters_ref, MOMS_ref) {

  if (concurrency.id() == concurrency.first())

  if (concurrency.id() == concurrency.first()) {

    file_name_ = parameters.get_directory() + parameters.get_filename_dca();

    output_file_.open_file(file_name_);



    std::cout << "\n\n\t" << __FUNCTION__ << " has started \t" << dca::util::print_time() << "\n\n";

  }

}



template <typename ParametersType, typename DcaDataType, typename MCIntegratorType>

void DcaLoop<ParametersType, DcaDataType, MCIntegratorType>::read() {
@@ -141,37 +149,14 @@ void DcaLoop<ParametersType, DcaDataType, MCIntegratorType>::read() { 


template <typename ParametersType, typename DcaDataType, typename MCIntegratorType>

void DcaLoop<ParametersType, DcaDataType, MCIntegratorType>::write() {

  const std::string& output_format = parameters.get_output_format();

  const std::string& file_name = parameters.get_directory() + parameters.get_filename_dca();



  std::cout << "\n\n\t\t start writing " << file_name << "\t" << dca::util::print_time() << "\n\n";



  if (output_format == "JSON") {

    dca::io::JSONWriter writer;

    writer.open_file(file_name);



    parameters.write(writer);

    MOMS.write(writer);

    monte_carlo_integrator_.write(writer);

    DCA_info_struct.write(writer);



    writer.close_file();

  }



  else if (output_format == "HDF5") {

    dca::io::HDF5Writer writer;

    writer.open_file(file_name);



    parameters.write(writer);

    MOMS.write(writer);

    monte_carlo_integrator_.write(writer);

    DCA_info_struct.write(writer);

  if (concurrency.id() == concurrency.first()) {

    std::cout << "\n\n\t\t start writing " << file_name_ << "\t" << dca::util::print_time() << "\n\n";



    writer.close_file();

    parameters.write(output_file_);

    MOMS.write(output_file_);

    monte_carlo_integrator_.write(output_file_);

    DCA_info_struct.write(output_file_);

  }



  else

    throw std::logic_error(__FUNCTION__);

}



template <typename ParametersType, typename DcaDataType, typename MCIntegratorType>
@@ -195,6 +180,8 @@ void DcaLoop<ParametersType, DcaDataType, MCIntegratorType>::execute() { 


    double L2_Sigma_difference = solve_cluster_problem(i);  // returned from cluster_solver::finalize



    writeWalkerData(i);



    adjust_impurity_self_energy();  // double-counting-correction



    perform_lattice_mapping();
@@ -357,6 +344,25 @@ void DcaLoop<ParametersType, DcaDataType, MCIntegratorType>::update_DCA_loop_dat 
          parameters.get_beta() / M_PI;

}



template <typename ParametersType, typename DcaDataType, typename MCIntegratorType>

void DcaLoop<ParametersType, DcaDataType, MCIntegratorType>::writeWalkerData(int loop_id) {

  using Walker = typename MCIntegratorType::Walker;

  if (!parameters.get_time_correlation_window())

    return;



  Walker::sumConcurrency(concurrency);



  if (concurrency.id() == concurrency.first()) {

    output_file_.open_group("Autocorrelation");

    output_file_.open_group(std::to_string(loop_id));



    Walker::write(output_file_);



    output_file_.close_group();

    output_file_.close_group();

  }

}



}  // namespace phys

}  // namespace dca