mirror of
https://github.com/triqs/dft_tools
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166 lines
6.8 KiB
C++
166 lines
6.8 KiB
C++
/*******************************************************************************
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*
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* TRIQS: a Toolbox for Research in Interacting Quantum Systems
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*
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* Copyright (C) 2012 by M. Ferrero, O. Parcollet
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*
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* TRIQS is free software: you can redistribute it and/or modify it under the
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* terms of the GNU General Public License as published by the Free Software
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* Foundation, either version 3 of the License, or (at your option) any later
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* version.
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*
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* TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
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* WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
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* FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
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* details.
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*
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* You should have received a copy of the GNU General Public License along with
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* TRIQS. If not, see <http://www.gnu.org/licenses/>.
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*
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******************************************************************************/
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#ifndef TRIQS_GF_MATSUBARA_TIME_H
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#define TRIQS_GF_MATSUBARA_TIME_H
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#include "./tools.hpp"
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#include "./gf.hpp"
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#include "./local/tail.hpp"
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#include "./domains/matsubara.hpp"
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#include "./meshes/linear.hpp"
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namespace triqs { namespace gfs {
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struct imtime {};
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namespace gfs_implementation {
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// mesh type and its factories
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template<typename Opt> struct mesh<imtime,Opt> {
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typedef linear_mesh<matsubara_domain<false>> type;
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typedef typename type::domain_t domain_t;
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static type make(double beta, statistic_enum S, size_t n_time_slices, mesh_kind mk=half_bins) {
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return type(domain_t(beta,S), 0, beta, n_time_slices, mk);
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}
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};
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// singularity
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template<typename Opt> struct singularity<imtime,matrix_valued,Opt> { typedef local::tail type;};
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template<typename Opt> struct singularity<imtime,scalar_valued,Opt> { typedef local::tail type;};
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// h5 name
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template<typename Opt> struct h5_name<imtime,matrix_valued,Opt> { static std::string invoke(){ return "GfImTime";}};
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template<typename Opt> struct h5_name<imtime,scalar_valued,Opt> { static std::string invoke(){ return "GfImTime_s";}};
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/// --------------------------- data access ---------------------------------
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template<typename Opt> struct data_proxy<imtime,matrix_valued,Opt> : data_proxy_array<double,3> {};
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template<typename Opt> struct data_proxy<imtime,scalar_valued,Opt> : data_proxy_array<double,1> {};
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/// --------------------------- closest mesh point on the grid ---------------------------------
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template<typename Opt, typename Target>
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struct get_closest_point <imtime,Target,Opt> {
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// index_t is size_t
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template<typename G, typename T>
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static size_t invoke(G const * g, closest_pt_wrap<T> const & p) {
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double x = (g->mesh().kind()==half_bins ? double(p.value) : double(p.value)+ 0.5*g->mesh().delta());
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size_t n = std::floor(x/g->mesh().delta());
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return n;
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}
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};
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/// --------------------------- evaluator ---------------------------------
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// NOT TESTED
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// TEST THE SPPED when q_view are incorporated...
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// true evaluator with interpolation ...
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template<typename G, typename ReturnType>
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ReturnType evaluator_imtime_impl (G const * g, double tau, ReturnType && _tmp) {
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// interpolate between n and n+1, with weight
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double beta = g->mesh().domain().beta;
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int p = std::floor(tau/beta);
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tau -= p*beta;
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double a = tau/g->mesh().delta();
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long n = std::floor(a);
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double w = a-n;
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assert(n < g->mesh().size()-1);
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auto _ = arrays::ellipsis();
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if ((g->mesh().domain().statistic == Fermion) && (p%2==1))
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_tmp = - w*g->data()(n, _) - (1-w)*g->data()(n+1, _);
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else
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_tmp = w*g->data()(n, _) + (1-w)*g->data()(n+1, _);
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//else { // Speed test to redo when incoparated qview in main branch
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// _tmp(0,0) = w*g->data()(n, 0,0) + (1-w)*g->data()(n+1, 0,0);
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// _tmp(0,1) = w*g->data()(n, 0,1) + (1-w)*g->data()(n+1, 0,1);
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// _tmp(1,0) = w*g->data()(n, 1,0) + (1-w)*g->data()(n+1, 1,0);
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// _tmp(1,1) = w*g->data()(n, 1,1) + (1-w)*g->data()(n+1, 1,1);
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// }
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return _tmp;
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}
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template<typename Opt>
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struct evaluator<imtime,matrix_valued,Opt> {
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private:
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mutable arrays::matrix<double> _tmp;
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public :
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static constexpr int arity = 1;
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evaluator() = default;
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evaluator(size_t n1, size_t n2) : _tmp(n1,n2) {} // WHAT happen in resize ??
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template<typename G>
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arrays::matrix<double> const & operator()(G const * g, double tau) const { return evaluator_imtime_impl(g, tau, _tmp);}
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template<typename G>
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typename G::singularity_t const & operator()(G const * g,freq_infty const &) const {return g->singularity();}
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};
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template<typename Opt>
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struct evaluator<imtime,scalar_valued,Opt> {
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public :
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static constexpr int arity = 1;
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template<typename G> double operator()(G const * g, double tau) const { return evaluator_imtime_impl(g, tau, 0.0);}
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template<typename G>
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typename G::singularity_t const & operator()(G const * g,freq_infty const &) const {return g->singularity();}
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};
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// ------------------------------- Factories --------------------------------------------------
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// matrix_valued
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template<typename Opt> struct factories<imtime,matrix_valued,Opt> {
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typedef gf<imtime,matrix_valued,Opt> gf_t;
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template<typename MeshType>
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static gf_t make_gf(MeshType && m, tqa::mini_vector<size_t,2> shape, local::tail_view const & t) {
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typename gf_t::data_non_view_t A(shape.front_append(m.size())); A() =0;
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//return gf_t ( m, std::move(A), t, nothing() ) ;
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return gf_t (std::forward<MeshType>(m), std::move(A), t, nothing(), evaluator<imtime,matrix_valued,Opt>(shape[0],shape[1]) ) ;
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}
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static gf_t make_gf(double beta, statistic_enum S, tqa::mini_vector<size_t,2> shape, size_t Nmax=1025, mesh_kind mk= half_bins) {
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return make_gf(mesh<imtime,Opt>::make(beta,S,Nmax,mk), shape, local::tail(shape));
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}
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static gf_t make_gf(double beta, statistic_enum S, tqa::mini_vector<size_t,2> shape, size_t Nmax, mesh_kind mk, local::tail_view const & t) {
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return make_gf(mesh<imtime,Opt>::make(beta,S,Nmax,mk), shape, t);
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}
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};
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// scalar_valued
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template<typename Opt> struct factories<imtime,scalar_valued,Opt> {
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typedef gf<imtime,scalar_valued,Opt> gf_t;
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template<typename MeshType>
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static gf_t make_gf(MeshType && m, local::tail_view const & t) {
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typename gf_t::data_non_view_t A(m.size()); A() =0;
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return gf_t (std::forward<MeshType>(m), std::move(A), t, nothing());
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}
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static gf_t make_gf(double beta, statistic_enum S, size_t Nmax=1025, mesh_kind mk= half_bins) {
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return make_gf(mesh<imtime,Opt>::make(beta,S,Nmax,mk), local::tail(tqa::mini_vector<size_t,2> (1,1)));
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}
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static gf_t make_gf(double beta, statistic_enum S, size_t Nmax, mesh_kind mk, local::tail_view const & t) {
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return make_gf(mesh<imtime,Opt>::make(beta,S,Nmax,mk), t);
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}
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};
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} // gfs_implementation.
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}}
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#endif
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