Commit 8983ea65 authored by gbalduzz's avatar gbalduzz
Browse files

Added documentation and using inline static variables.

parent cccfeb63

include/dca/phys/dca_step/cluster_solver/ctint/walker/ctint_walker_base.hpp

+3 −10
Original line number Diff line number Diff line
@@ -164,8 +164,8 @@ protected: 
  void updateSweepAverages();



protected:  // Members.

  static std::unique_ptr<DMatrixBuilder<linalg::CPU, Real>> d_builder_ptr_;

  static InteractionVertices vertices_;

  static inline std::unique_ptr<DMatrixBuilder<linalg::CPU, Real>> d_builder_ptr_;

  static inline InteractionVertices vertices_;



  const Parameters& parameters_;

  const Concurrency& concurrency_;
@@ -179,7 +179,7 @@ protected: // Members. 
  MatrixPair M_;



  const Real beta_;

  static constexpr int n_bands_ = Parameters::bands;

  static inline constexpr int n_bands_ = Parameters::bands;

  const int possible_partners_;



  const Real total_interaction_;  // Space integrated interaction Hamiltonian.
@@ -204,13 +204,6 @@ private: 
  linalg::Vector<int, linalg::CPU> ipiv_;

  linalg::Vector<Real, linalg::CPU> work_;

};

template <class Parameters, typename Real>

constexpr int CtintWalkerBase<Parameters, Real>::n_bands_;



template <class Parameters, typename Real>

InteractionVertices CtintWalkerBase<Parameters, Real>::vertices_;

template <class Parameters, typename Real>

std::unique_ptr<DMatrixBuilder<linalg::CPU, Real>> CtintWalkerBase<Parameters, Real>::d_builder_ptr_;



template <class Parameters, typename Real>

CtintWalkerBase<Parameters, Real>::CtintWalkerBase(const Parameters& parameters_ref, Rng& rng_ref,

include/dca/phys/dca_step/cluster_solver/ctint/walker/ctint_walker_cpu.hpp

+4 −4
Original line number Diff line number Diff line
@@ -42,6 +42,10 @@ public: 
  using typename BaseClass::Rng;

  using typename BaseClass::Data;



  using Matrix = typename BaseClass::Matrix;

  using MatrixPair = typename BaseClass::MatrixPair;

  using MatrixView = typename linalg::MatrixView<Real, linalg::CPU>;



public:

  CtintWalker(const Parameters& pars_ref, const Data& /*data*/, Rng& rng_ref, int id = 0);
@@ -67,10 +71,6 @@ protected: 
private:

  Real insertionProbability(int delta_vertices);



  using Matrix = typename BaseClass::Matrix;

  using MatrixPair = typename BaseClass::MatrixPair;

  using MatrixView = typename linalg::MatrixView<Real, linalg::CPU>;



  void applyInsertion(const MatrixPair& S, const MatrixPair& Q, const MatrixPair& R);



  Real removalProbability();

include/dca/phys/dca_step/cluster_solver/ctint/walker/tools/d_matrix_builder.hpp

+19 −4
Original line number Diff line number Diff line
@@ -8,7 +8,7 @@ 
// Authors: Giovanni Balduzzi (gbalduzz@itp.phys.ethz.ch)

//          Jérémie Bouquet (bouquetj@gmail.com)

//

// Class to compute matrices made by different combinations of G0 and auxiliary fields.

// Class to compute new entries of the D matrix.



#ifndef DCA_PHYS_DCA_STEP_CLUSTER_SOLVER_CTINT_WALKER_TOOLS_D_MATRIX_BUILDER_HPP

#define DCA_PHYS_DCA_STEP_CLUSTER_SOLVER_CTINT_WALKER_TOOLS_D_MATRIX_BUILDER_HPP
@@ -51,19 +51,32 @@ public: 


  virtual ~DMatrixBuilder() {}



  // Set the parameters of the alpha field (see next function).

  void setAlphas(const std::array<double, 3>& alphas_base, bool adjust_dd);



  // Computes the right (Q), bottom(R), and right-bottom (S) blocks of the D matrix (M^-1) with elements

  // D_i,j = G0(v_i, v_j) + delta(i, j) alpha_field(v_i), where v_i is an interaction vertex.

  void buildSQR(MatrixPair& S, MatrixPair& Q, MatrixPair& R, const SolverConfiguration& config) const;



  const G0Interpolation<linalg::CPU, Real>& getG0() const {

    return g0_ref_;

  }



  // Computes the i, j entry of the D matrix.

  Real computeD(const int i, const int j, const Sector& config) const;



  // Computes the alpha field given auxiliary spin and band.

  Real computeAlpha(const int aux_spin_type, const int b) const;



  // Computes the quantity f = alpha_field / (1 - alpha_field). Used by the submatrix solver.

  Real computeF(const Real alpha) const;

  Real computeF(const int aux_spin_type, int b) const;



  // computes the gamma factor: gamma = (f(new_spin) - f(old_spin)) / f(old_spin)

  Real computeGamma(int aux_spin_type, int new_aux_spin_type, int b) const;



  // Computes a sector of the G0 matrix.

  // If which_section == 0, computes the bottom sector. If which_sector == 1 computes the right sector.

  void computeG0(Matrix& G0, const Sector& configuration, const int n_init, const int n_max,

                 const int which_section) const;
@@ -80,9 +93,11 @@ private: 


protected:

  const G0Interpolation<linalg::CPU, Real>& g0_ref_;

  std::vector<Real> alpha_dd_;

  Real alpha_dd_neg_ = 0;

  Real alpha_ndd_ = 0;



  std::vector<Real> alpha_dd_;  // alpha parameters for density-density interactions. One for each band.

  Real alpha_dd_neg_ = 0;  // parameter for density-density interactions with negative coupling.

  Real alpha_ndd_ = 0;     // parameter for non-density-density interactions.



  const int n_bands_ = -1;

  std::array<int, 2> sbdm_step_;

  // Note: site_diff is a matrix where site_diff(i,j) = r_j - r_i.

include/dca/phys/dca_step/cluster_solver/ctint/walker/tools/d_matrix_builder_gpu.hpp

+2 −0
Original line number Diff line number Diff line
@@ -47,6 +47,8 @@ public: 
    return g0_ref_;

  }



  // See DMatrixBuilder<linalg::CPU, Real>::computeG0.

  // Out: G0. Device matrix

  void computeG0(Matrix& G0, const details::DeviceConfiguration& configuration, int n_init,

                 bool right_section, cudaStream_t stream) const override;

src/phys/dca_step/cluster_solver/ctint/walker/tools/d_matrix_builder_gpu.cpp

+1 −0
Original line number Diff line number Diff line
@@ -36,6 +36,7 @@ DMatrixBuilder<linalg::GPU, Real>::DMatrixBuilder(const G0Interpolation<GPU, Rea 
                   site_diff.leadingDimension(), nb, site_add.nrRows(), r0);

}





template <typename Real>

void DMatrixBuilder<GPU, Real>::computeG0(Matrix& G0,

                                          const details::DeviceConfiguration& configuration,