.. _program_listing_file_src_qcm_QCM.hpp:

Program Listing for File QCM.hpp
================================

|exhale_lsh| :ref:`Return to documentation for file <file_src_qcm_QCM.hpp>` (``src_qcm/QCM.hpp``)

.. |exhale_lsh| unicode:: U+021B0 .. UPWARDS ARROW WITH TIP LEFTWARDS

.. code-block:: cpp

   //
   //  QCM.hpp
   //  qcm3
   //
   //  Created by David Sénéchal on 16-11-22.
   //  Copyright © 2016 David Sénéchal. All rights reserved.
   //
   
   #ifndef QCM_hpp
   #define QCM_hpp
   
   #include <string>
   #include <optional>
   #include <vector>
   #include <complex>
   #include <map>
   #include <functional>
   #include "vector3D.hpp"
   #include "qcm_ED.hpp"
   
   using namespace std;
   
   struct lattice_matrix_element;
   struct System;
   
   namespace QCM{
     void check_instance(int label);
     void great_reset();
     void erase_lattice_model_instance(size_t label);
     bool complex_HS(size_t label);
     double Berry_flux(vector<vector3D<double>>& k, int orb, int label);
     double monopole(vector3D<double>& k, double a, int nk, int orb, bool rec, int label);
     double Potthoff_functional(int label);
     double potential_energy(int label);
     double kinetic_energy(int label);
     double spectral_average(const string& name, const complex<double> w, int label);
     int mixing();
     int spatial_dimension();
     map<string,double> parameters();
     map<string,double> instance_parameters(int label);
     matrix<complex<double>> cluster_Green_function(size_t i, complex<double> w, bool spin_down, int label, bool blocks);
     matrix<complex<double>> cluster_self_energy(size_t i, complex<double> w, bool spin_down, int label);
     matrix<complex<double>> cluster_hopping_matrix(size_t i, bool spin_down, int label);
     matrix<complex<double>> compact_tiling(const matrix<complex<double>>& A, const vector3D<double>& k);
     ED::CombinedMCF_data get_combined_mcf_k(const vector3D<double>& k, bool spin_down, int label);
     matrix<complex<double>> CPT_Green_function(const complex<double> w, const vector3D<double> &k, bool spin_down, int label);
     matrix<complex<double>> CPT_Green_function(int iw, int ik, int label);
     matrix<complex<double>> hybridization_function(complex<double> w, bool spin_down, size_t i, int label);
     matrix<complex<double>> Green_integral(bool spin_down, int clus, int label);
     matrix<complex<double>> periodized_Green_function(const complex<double> w, const vector3D<double> &k, bool spin_down, int label);
     matrix<complex<double>> band_Green_function(const complex<double> w, const vector3D<double> &k, bool spin_down, int label);
     matrix<complex<double>> projected_Green_function(const complex<double> w, bool spin_down, int label);
     matrix<complex<double>> tk(const vector3D<double> &k, bool spin_down, int label);
     matrix<complex<double>> V_matrix(const complex<double> w, const vector3D<double> &k, bool spin_down, int label);
     pair<vector<array<double,9>>, vector<array<complex<double>, 11>>> site_and_bond_profile(int label);
     size_t Green_function_dimension();
     size_t reduced_Green_function_dimension();
     vector<double> Berry_curvature(vector3D<double>& k1, vector3D<double>& k2, int nk, int orb, bool rec, int dir, int label);
     vector<double> dos(const complex<double> w, int label, bool use_grid=false);
     vector<double> momentum_profile(const string& op, const vector<vector3D<double>> &k_set, int label);
     vector<matrix<complex<double>>> CPT_Green_function_inverse(const complex<double> w, const vector<vector3D<double>> &k, bool spin_down, int label);
     vector<matrix<complex<double>>> CPT_Green_function(const complex<double> w, const vector<vector3D<double>> &k, bool spin_down, int label);
     vector<matrix<complex<double>>> periodized_Green_function(const complex<double> w, const vector<vector3D<double>> &k, bool spin_down, int label);
     vector<matrix<complex<double>>> band_Green_function(const complex<double> w, const vector<vector3D<double>> &k, bool spin_down, int label);
     vector<complex<double>> periodized_Green_function_element(int r, int c, const complex<double> w, const vector<vector3D<double>> &k, bool spin_down, int label);
     vector<matrix<complex<double>>> self_energy(const complex<double> w, const vector<vector3D<double>> &k, bool spin_down, int label);
     vector<matrix<complex<double>>> tk(const vector<vector3D<double>> &k, bool spin_down, int label);
     vector<pair<double,string>> ground_state(int label);
     vector<pair<string,double>> averages(const vector<string> &_ops = {}, int label=0);
     vector<pair<vector<double>, vector<double>>> Lehmann_Green_function(vector<vector3D<double>> &k, int orb, bool spin_down, int label);
     vector<tuple<string, int, int, int, int>> cluster_info();
     vector<tuple<string, int, int, int>> systems_info();
     vector<vector<double>> dispersion(const vector<vector3D<double>> &k, bool spin_down, int label);
     vector<matrix<Complex>> epsilon(const vector<vector3D<double>> &k, bool spin_down, int label);
     void add_cluster(const vector3D<int64_t> &cpos, const vector<vector3D<int64_t>> &pos, int ref=0, bool conj=false);
     void add_system(const string &name, const int clus=0);
     void anomalous_operator(const string &name, vector3D<int64_t> &link, complex<double> amplitude, int orb1, int orb2, const string& type);
     void density_wave(const string &name, vector3D<int64_t> &link, complex<double> amplitude, int orb, vector3D<double> Q, double phase, const string& type);
     void explicit_operator(const string &name, const string &type, const vector<tuple<vector3D<int64_t>, vector3D<int64_t>, complex<double>>> &elem, int tau=1, int sigma=0);
     void global_parameter_init();
     void hopping_operator(const string &name, vector3D<int64_t> &link, double amplitude, int orb1, int orb2, int tau, int sigma);
     void current_operator(const string &name, vector3D<int64_t> &link, double amplitude, int orb1, int orb2, int dir, bool re=true);
     void interaction_operator(const string &name, vector3D<int64_t> &link, double amplitude, int orb1, int orb2, const string &type);
     void k_integral(int dim, function<void (vector3D<double> &k, const int *nv, double I[])> f, vector<double> &Iv, const double accuracy, bool verb=false);
     void k_integral_grid(int dim, int nkx, int nky, int nkz, function<void (vector3D<double> &k, const int *nv, double I[])> f, vector<double> &Iv);
     void set_wavevector_grid(int nkx, int nky, int nkz);
     void get_wavevector_grid(int& nkx, int& nky, int& nkz);
     void new_lattice_model(const string &name, vector<int64_t> &superlattice, vector<int64_t> &lattice, const string &latt_hybrid="");
     void new_model_instance(int label);
     void print_model(const string& filename, bool asy_operators=false, bool asy_labels=false, bool asy_orb=false, bool asy_neighbors=false, bool asy_working_basis=false);
     void qcm_init();
     void set_basis(vector<double> &basis);
     void set_parameter(const string& name, double value);
     void set_multiplier(const string& name, double value);
     void set_parameters(vector<pair<string,double>>&, vector<tuple<string, double, string>>&);
     void wk_integral(int dim, function<void (Complex w, vector3D<double> &k, const int *nv, double I[])> f, vector<double> &Iv, const double accuracy,bool verb=false);
     void Green_function_solve(int label);
     void CDMFT_variational_set(vector<vector<string>>& varia);
     void CDMFT_host(const vector<double>& freqs, const vector<double>& weights, int label);
     void set_CDMFT_host(int label, const vector<double>& freqs, const int clus, const vector<matrix<Complex>>& H, const bool spin_down);
     double CDMFT_distance(const vector<double>& p, int clus, int label);
     vector<double> CDMFT_residuals(const vector<double>& p, int clus, int label);
     vector<double> CDMFT_gradient(const vector<double>& p, int clus, int label);
     vector<vector<matrix<Complex>>> get_CDMFT_host(bool spin_down, int label);
   };
   
   #endif /* QCM_hpp */