small cleanup of g0 initialization. (e0b30bf9) · Commits · NDIP / Tool Sources / Direct-Geometry Spectroscopy / DCA / DCA Main

include/dca/phys/dca_step/cluster_solver/ctaux/ctaux_cluster_solver.hpp

+8 −0

Original line number	Diff line number	Diff line
		@@ -32,6 +32,8 @@
		#include "dca/parallel/util/get_workload.hpp"
		#include "dca/phys/dca_step/cluster_solver/ctaux/ctaux_accumulator.hpp"
		#include "dca/phys/dca_step/cluster_solver/ctaux/ctaux_walker.hpp"
		#include "dca/phys/dca_step/cluster_solver/shared_tools/interpolation/g0_interpolation.hpp"
		#include "dca/phys/dca_step/cluster_solver/shared_tools/accumulation/time_correlator.hpp"
		#include "dca/phys/dca_step/symmetrization/symmetrize.hpp"
		#include "dca/phys/domains/cluster/cluster_domain.hpp"
		#include "dca/phys/domains/quantum/electron_band_domain.hpp"
		@@ -149,6 +151,8 @@ private:
		func::function<std::complex<double>, NuNuKClusterWDmn> Sigma_old_;
		func::function<std::complex<double>, NuNuKClusterWDmn> Sigma_new_;

		G0Interpolation<device, double> g0_;

		double accumulated_sign_;
		func::function<std::complex<double>, NuNuRClusterWDmn> M_r_w_;
		func::function<std::complex<double>, NuNuRClusterWDmn> M_r_w_squared_;
		@@ -183,6 +187,8 @@ CtauxClusterSolver<device_t, Parameters, Data>::CtauxClusterSolver(Parameters& p
		M_r_w_squared_("M_r_w_squared"),

		averaged_(false) {
		TimeCorrelator<Parameters, double, device>::setG0(g0_);

		if (concurrency_.id() == concurrency_.first())
		std::cout << "\n\n\t CT-AUX Integrator is born \n" << std::endl;
		}
		@@ -204,6 +210,8 @@ template <dca::linalg::DeviceType device_t, class Parameters, class Data>
		void CtauxClusterSolver<device_t, Parameters, Data>::initialize(int dca_iteration) {
		dca_iteration_ = dca_iteration;

		g0_.initializeShrinked(data_.G0_r_t_cluster_excluded);

		Sigma_old_ = data_.Sigma;

		accumulator_.initialize(dca_iteration_);

include/dca/phys/dca_step/cluster_solver/ctint/ctint_cluster_solver.hpp

+4 −3

Original line number	Diff line number	Diff line
		@@ -30,7 +30,8 @@
		#include "dca/phys/dca_step/cluster_solver/ctint/details/solver_methods.hpp"
		#include "dca/phys/dca_step/cluster_solver/ctint/domains/common_domains.hpp"
		#include "dca/phys/dca_step/cluster_solver/ctint/walker/ctint_walker_choice.hpp"
		//#include "dca/phys/dca_step/cluster_solver/shared_tools/accumulation/time_correlator.hpp"
		#include "dca/phys/dca_step/cluster_solver/shared_tools/interpolation/g0_interpolation.hpp"
		#include "dca/phys/dca_step/cluster_solver/shared_tools/accumulation/time_correlator.hpp"
		#include "dca/phys/dca_data/dca_data.hpp"
		#include "dca/phys/dca_loop/dca_loop_data.hpp"
		#include "dca/phys/dca_step/symmetrization/symmetrize.hpp"
		@@ -156,7 +157,7 @@ CtintClusterSolver<device_t, Parameters, use_submatrix>::CtintClusterSolver(Para

		rng_(concurrency_.id(), concurrency_.number_of_processors(), parameters_.get_seed()) {
		Walker::setDMatrixBuilder(g0_);
		// TimeCorrelator<Parameters, Real, device_t>::setG0(g0_);
		TimeCorrelator<Parameters, Real, device_t>::setG0(g0_);
		Walker::setInteractionVertices(data_, parameters_);

		if (concurrency_.id() == concurrency_.first())
		@@ -173,7 +174,7 @@ template <dca::linalg::DeviceType device_t, class Parameters, bool use_submatrix
		void CtintClusterSolver<device_t, Parameters, use_submatrix>::initialize(int dca_iteration) {
		dca_iteration_ = dca_iteration;

		g0_.initialize(ctint::details::shrinkG0(data_.G0_r_t_cluster_excluded));
		g0_.initializeShrinked(data_.G0_r_t_cluster_excluded);

		Walker::setDMatrixAlpha(parameters_.getAlphas(), parameters_.adjustAlphaDd());

include/dca/phys/dca_step/cluster_solver/shared_tools/accumulation/time_correlator.hpp

+1 −0

Original line number	Diff line number	Diff line
		@@ -58,6 +58,7 @@ public:
		void compute_G_r_t(const std::array<dca::linalg::Matrix<RealInp, device>, 2>& M,
		const std::array<WalkerConfig, 2>& configs, int sign);

		// TODO: use a shared pointer.
		static void setG0(const G0Interpolation<device, Real>& g0) {
		g0_ = &g0;
		}

include/dca/phys/dca_step/cluster_solver/shared_tools/interpolation/g0_interpolation.hpp

+5 −101

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		@@ -7,110 +7,14 @@
		//
		// Authors: Giovanni Balduzzi (gbalduzz@itp.phys.ethz.ch)
		//
		// This class organizes the interpolation G0(tau) for tau in [0, beta]
		// specialization for CPU.
		// Include file.

		#ifndef DCA_PHYS_DCA_STEP_CLUSTER_SOLVER_SHARED_TOOLS_INTERPOLATION_G0_INTERPOLATION_HPP
		#define DCA_PHYS_DCA_STEP_CLUSTER_SOLVER_SHARED_TOOLS_INTERPOLATION_G0_INTERPOLATION_HPP

		#include <assert.h>
		#include <vector>

		#include "dca/function/domains/dmn.hpp"
		#include "dca/function/domains/dmn_0.hpp"
		#include "dca/function/domains/dmn_variadic.hpp"
		#include "dca/function/function.hpp"
		#include "dca/linalg/device_type.hpp"
		#include "dca/math/interpolation/akima_interpolation.hpp"
		#include "dca/phys/dca_step/cluster_solver/shared_tools/interpolation/interpolation_domains.hpp"
		#include "dca/phys/dca_step/cluster_solver/shared_tools/interpolation/function_proxy.hpp"
		#include "dca/phys/dca_step/cluster_solver/shared_tools/interpolation/shrink_G0.hpp"
		#include "dca/phys/domains/time_and_frequency/time_domain.hpp"

		namespace dca {
		namespace phys {
		namespace solver {
		// dca::phys::solver::

		// void template
		template <linalg::DeviceType device_t, typename Real>
		class G0Interpolation {};

		// ParametersDomain is a collection of discrete labels not involving the time.
		template <typename Real>
		class G0Interpolation<linalg::CPU, Real> {
		private:
		using Pdmn = G0ParametersDomain;
		using Pdmn0 = func::dmn_0<G0ParametersDomain>;
		using Tdmn = func::dmn_0<domains::time_domain>;
		using PTdmn = func::dmn_variadic<Pdmn0, Tdmn>;

		public:
		G0Interpolation() = default;
		// See this->initialize(G0_pars_t).
		template <class InputDmn>
		G0Interpolation(const func::function<double, InputDmn>& G0_pars_t);

		virtual ~G0Interpolation() {}

		// In: G0_pars_t. Assumed to be a function of discrete labels and time (in this order) and to
		// be antiperiodic in time.
		template <class InputDmn>
		void initialize(const func::function<double, InputDmn>& G0_pars_t);

		// Initialize with only one spin sector.
		template <int dim>
		void initializeShrinked(const details::SpGreensFunction<dim>& g0_r_t) {
		initialize(details::shrinkG0(g0_r_t));
		}

		// Returns cubic interpolation of G0(tau) in the spin-band-position defined by lindex.
		Real operator()(Real tau, int lindex) const;

		// Number of value if g0 stored per parameter value.
		int getTimeSlices() const {
		return G0_coeff_[1];
		}
		int getStride() const {
		return getTimeSlices() * COEFF_SIZE;
		}

		friend class G0Interpolation<linalg::GPU, Real>;

		static constexpr int COEFF_SIZE = 4;

		private:
		virtual void initialize(const FunctionProxy<double, PTdmn>& G0_pars_t);

		private:
		using CoeffDmn = func::dmn_0<func::dmn<COEFF_SIZE>>;
		using PTime0 = func::dmn_0<PositiveTimeDomain>;
		using InterpolationDmn = func::dmn_variadic<CoeffDmn, PTime0, Pdmn0>;

		func::function<Real, InterpolationDmn> G0_coeff_;
		Real beta_ = 0;
		// value at tau = 0
		std::vector<Real> g0_minus_;
		// Spacing between time bins.
		double n_div_beta_;
		};

		template <typename Real>
		template <class InputDmn>
		G0Interpolation<linalg::CPU, Real>::G0Interpolation(const func::function<double, InputDmn>& G0_pars_t) {
		initialize(G0_pars_t);
		}

		template <typename Real>
		template <class InputDmn>
		void G0Interpolation<linalg::CPU, Real>::initialize(const func::function<double, InputDmn>& G0_pars_t) {
		PositiveTimeDomain::initialize();
		Pdmn::initialize(InputDmn::dmn_size() / Tdmn::dmn_size());
		initialize(FunctionProxy<double, PTdmn>(G0_pars_t));
		}

		} // namespace solver
		} // namespace phys
		} // namespace dca
		#include "dca/phys/dca_step/cluster_solver/shared_tools/interpolation/g0_interpolation_cpu.hpp"
		#ifdef DCA_HAVE_CUDA
		#include "dca/phys/dca_step/cluster_solver/shared_tools/interpolation/g0_interpolation_gpu.hpp"
		#endif

		#endif // DCA_PHYS_DCA_STEP_CLUSTER_SOLVER_SHARED_TOOLS_INTERPOLATION_G0_INTERPOLATION_HPP

include/dca/phys/dca_step/cluster_solver/shared_tools/interpolation/g0_interpolation_cpu.hpp

0 → 100644

+112 −0

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		// Copyright (C) 2018 ETH Zurich
		// Copyright (C) 2018 UT-Battelle, LLC
		// All rights reserved.
		//
		// See LICENSE.txt for terms of usage.
		// See CITATION.md for citation guidelines, if DCA++ is used for scientific publications.
		//
		// Authors: Giovanni Balduzzi (gbalduzz@itp.phys.ethz.ch)
		//
		// This class organizes the interpolation G0(tau) for tau in [0, beta]
		// specialization for CPU.

		#ifndef DCA_PHYS_DCA_STEP_CLUSTER_SOLVER_SHARED_TOOLS_INTERPOLATION_G0_INTERPOLATION_CPU_HPP
		#define DCA_PHYS_DCA_STEP_CLUSTER_SOLVER_SHARED_TOOLS_INTERPOLATION_G0_INTERPOLATION_CPU_HPP

		#include <assert.h>
		#include <vector>

		#include "dca/function/domains/dmn.hpp"
		#include "dca/function/domains/dmn_0.hpp"
		#include "dca/function/domains/dmn_variadic.hpp"
		#include "dca/function/function.hpp"
		#include "dca/linalg/device_type.hpp"
		#include "dca/math/interpolation/akima_interpolation.hpp"
		#include "dca/phys/dca_step/cluster_solver/shared_tools/interpolation/interpolation_domains.hpp"
		#include "dca/phys/dca_step/cluster_solver/shared_tools/interpolation/function_proxy.hpp"
		#include "dca/phys/dca_step/cluster_solver/shared_tools/interpolation/shrink_G0.hpp"
		#include "dca/phys/domains/time_and_frequency/time_domain.hpp"

		namespace dca {
		namespace phys {
		namespace solver {
		// dca::phys::solver::

		// void template
		template <linalg::DeviceType device_t, typename Real>
		class G0Interpolation {};

		// ParametersDomain is a collection of discrete labels not involving the time.
		template <typename Real>
		class G0Interpolation<linalg::CPU, Real> {
		protected:
		using Pdmn = G0ParametersDomain;
		using Pdmn0 = func::dmn_0<G0ParametersDomain>;
		using Tdmn = func::dmn_0<domains::time_domain>;
		using PTdmn = func::dmn_variadic<Pdmn0, Tdmn>;

		public:
		G0Interpolation() = default;

		template <class InputDmn>
		G0Interpolation(const func::function<double, InputDmn>& G0_func) {
		initialize(G0_func);
		}

		virtual ~G0Interpolation() = default;

		// In: G0_pars_t. Assumed to be a function of discrete labels and time (in this order) and to
		// be antiperiodic in time.
		template <class InputDmn>
		void initialize(const func::function<double, InputDmn>& G0_func);

		// Initialize with only one spin sector.
		template <int dim>
		void initializeShrinked(const details::SpGreensFunction<dim>& g0_r_t) {
		initialize(details::shrinkG0(g0_r_t));
		}

		// Returns cubic interpolation of G0(tau) in the spin-band-position defined by lindex.
		Real operator()(Real tau, int lindex) const;

		// Number of value if g0 stored per parameter value.
		int getTimeSlices() const {
		return G0_coeff_[1];
		}
		int getStride() const {
		return getTimeSlices() * COEFF_SIZE;
		}

		friend class G0Interpolation<linalg::GPU, Real>;

		static constexpr int COEFF_SIZE = 4;

		private:
		virtual void initialize(const FunctionProxy<double, PTdmn>& G0_pars_t);

		private:
		using CoeffDmn = func::dmn_0<func::dmn<COEFF_SIZE>>;
		using PTime0 = func::dmn_0<PositiveTimeDomain>;
		using InterpolationDmn = func::dmn_variadic<CoeffDmn, PTime0, Pdmn0>;

		func::function<Real, InterpolationDmn> G0_coeff_;
		Real beta_ = 0;
		// value at tau = 0
		std::vector<Real> g0_minus_;
		// Spacing between time bins.
		double n_div_beta_;
		};

		template <typename Real>
		template <class InputDmn>
		void G0Interpolation<linalg::CPU, Real>::initialize(const func::function<double, InputDmn>& G0_func) {
		PositiveTimeDomain::initialize();
		Pdmn::initialize(InputDmn::dmn_size() / Tdmn::dmn_size());
		initialize(FunctionProxy<double, PTdmn>(G0_func));
		}

		} // namespace solver
		} // namespace phys
		} // namespace dca

		#endif // DCA_PHYS_DCA_STEP_CLUSTER_SOLVER_SHARED_TOOLS_INTERPOLATION_G0_INTERPOLATION_CPU_HPP