Unverified Commit 233bdb30 authored by Peter Doak's avatar Peter Doak Committed by GitHub
Browse files

Kagome branch (#282) 

* suppressing warnings from unimplemented Kagome methods

* attempt at hdf_reader fix

* fast tests pass

* remove uneeded header
parent 7b3a533a

include/dca/io/hdf5/hdf5_writer.hpp

+1 −1
Original line number Diff line number Diff line
@@ -20,7 +20,7 @@ 
#include <string>

#include <vector>



#include "H5Cpp.h"

#include <H5Cpp.h>



#include "dca/function/domains.hpp"

#include "dca/io/buffer.hpp"

include/dca/io/writer.hpp

+6 −0
Original line number Diff line number Diff line
@@ -82,6 +82,8 @@ public: 
  }

#endif



  bool isOpen() { return is_open_; }

  

  void begin_step() {

    std::visit([&](auto& var) { var.begin_step(); }, writer_);

  }
@@ -92,10 +94,12 @@ public: 


  void open_file(const std::string& file_name, bool overwrite = true) {

    std::visit([&](auto& var) { var.open_file(file_name, overwrite); }, writer_);

    is_open_ = true;

  }



  void close_file() {

    std::visit([&](auto& var) { var.close_file(); }, writer_);

    is_open_ = false;

  }



  /** For writing open_group is expected to always return true
@@ -150,6 +154,7 @@ public: 
    std::visit([&](auto& var) { var.set_verbose(verbose); }, writer_);

  }



  dca::parallel::thread_traits::mutex_type& get_mutex() { return mutex_; }

private:

  dca::parallel::thread_traits::mutex_type mutex_;

  DCAWriterVariant writer_;
@@ -157,6 +162,7 @@ private: 
  adios2::ADIOS& adios_;

#endif

  Concurrency& concurrency_;

  bool is_open_;

};



}  // namespace dca::io

include/dca/phys/models/analytic_hamiltonians/Kagome_hubbard.hpp

+24 −19
Original line number Diff line number Diff line
@@ -81,38 +81,44 @@ public: 
};



template <typename PointGroupType>

int KagomeHubbard<PointGroupType>::transformationSignOfR(int b1, int b2, int s) {

int KagomeHubbard<PointGroupType>::transformationSignOfR(int b1 [[maybe_unused]],

                                                         int b2 [[maybe_unused]],

                                                         int s [[maybe_unused]]) {

  return 1;  // TODO: FIXME

}



template <typename PointGroupType>

int KagomeHubbard<PointGroupType>::transformationSignOfK(int b1, int b2, int s) {

int KagomeHubbard<PointGroupType>::transformationSignOfK(int b1 [[maybe_unused]],

                                                         int b2 [[maybe_unused]],

                                                         int s [[maybe_unused]]) {

  return 1;  // TODO: FIXME

}



template <typename PointGroupType>

double* KagomeHubbard<PointGroupType>::initializeRDCABasis() {

  static std::array<double, 4> basis{std::cos(M_PI / 3.), std::sin(M_PI / 3.), std::cos(M_PI / 3.), std::sin(-M_PI / 3.)};

  static std::array<double, 4> basis{std::cos(M_PI / 3.), std::sin(M_PI / 3.), std::cos(M_PI / 3.),

                                     std::sin(-M_PI / 3.)};

  // static std::array<double, 4> basis{1, 0, 0.5, std::sin(M_PI / 3.)};

  return basis.data();

}

// template <typename PointGroupType>

// double* KagomeHubbard<PointGroupType>::initializeKDCABasis() {

//   static std::array<double, 4> basis{2 * M_PI, -M_PI/std::sin(M_PI/3.), 0, 2. * M_PI/std::sin(M_PI/3.)};

//   return basis.data();

//   static std::array<double, 4> basis{2 * M_PI, -M_PI/std::sin(M_PI/3.), 0, 2. *

//   M_PI/std::sin(M_PI/3.)}; return basis.data();

// }



template <typename PointGroupType>

double* KagomeHubbard<PointGroupType>::initializeRLDABasis() {

  static std::array<double, 4> basis{std::cos(M_PI / 3.), std::sin(M_PI / 3.), std::cos(M_PI / 3.), std::sin(-M_PI / 3.)};

  static std::array<double, 4> basis{std::cos(M_PI / 3.), std::sin(M_PI / 3.), std::cos(M_PI / 3.),

                                     std::sin(-M_PI / 3.)};

  // static std::array<double, 4> basis{1, 0, 0, std::sin(M_PI / 3.)};

  return basis.data();

}



// template <typename PointGroupType>

// double* KagomeHubbard<PointGroupType>::initializeKLDABasis() {

//   static std::array<double, 4> basis{2 * M_PI, -M_PI/std::sin(M_PI/3.), 0, 2. * M_PI/std::sin(M_PI/3.)};

//   return basis.data();

//   static std::array<double, 4> basis{2 * M_PI, -M_PI/std::sin(M_PI/3.), 0, 2. *

//   M_PI/std::sin(M_PI/3.)}; return basis.data();

// }



template <typename PointGroupType>
@@ -197,7 +203,6 @@ void KagomeHubbard<PointGroupType>::initializeH0( 
      H_0(1, s, 0, s, k_ind) = -2. * t * std::cos(0.5 * k[0]);

      H_0(2, s, 0, s, k_ind) = -2. * t * std::cos(0.25 * k[0] + 0.25 * sqrt(3.) * k[1]);

      H_0(2, s, 1, s, k_ind) = -2. * t * std::cos(0.25 * k[0] - 0.25 * sqrt(3.) * k[1]);



    }

  }

}

src/io/hdf5/hdf5_reader.cpp

+10 −3
Original line number Diff line number Diff line
@@ -12,7 +12,6 @@ 


#include "dca/io/hdf5/hdf5_reader.hpp"

#include "hdf5.h"



#include <fstream>

#include <stdexcept>
@@ -59,7 +58,11 @@ std::string HDF5Reader::get_path() { 
}



bool HDF5Reader::execute(const std::string& name, std::string& value) {

  std::string full_name = get_path() + "/" + name;

  std::string full_name = get_path();

  if (full_name.size() < 1)

    full_name += name;

  else

    full_name += "/" + name;

  if (!exists(full_name)) {

    return false;

  }
@@ -80,7 +83,11 @@ bool HDF5Reader::execute(const std::string& name, std::string& value) { 
}



bool HDF5Reader::execute(const std::string& name, std::vector<std::string>& value) {

  std::string full_name = get_path() + "/" + name;

  std::string full_name = get_path();

  if (full_name.size() < 1)

    full_name += name;

  else

    full_name += "/" + name;

  if (!exists(full_name)) {

    return false;

  }

test/unit/io/reader_test.cpp

+4 −2
Original line number Diff line number Diff line
@@ -64,13 +64,15 @@ TEST(HDF5ReaderTest, Vector) { 
  // Simple 3D vector

  std::vector<float> vec_1;

  std::vector<float> vec_1_check{1., 2., 3.};

  reader.execute("simple-vector", vec_1);

  bool result = reader.execute("simple-vector", vec_1);

  EXPECT_TRUE(result);

  EXPECT_EQ(vec_1_check, vec_1);



  // Vector of 3 vectors variable length

  std::vector<std::vector<float>> vec_2;

  std::vector<std::vector<float>> vec_2_check{{1.2, 3.4}, {5.6, 7.8, 4.4}, {1.0}};

  reader.execute("vector-of-vectors", vec_2);

  result = reader.execute("vector-of-vectors", vec_2);

  EXPECT_TRUE(result);

  EXPECT_EQ(vec_2_check, vec_2);



  reader.close_file();