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draft of multi-time gf (t,tau), etc...

This commit is contained in:
Laura Messio 2013-07-19 13:30:52 +02:00 committed by Olivier Parcollet
parent 38d89e2d01
commit 798ba1c800
4 changed files with 369 additions and 0 deletions

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#define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
#include <triqs/gf/re_im_freq.hpp>
#include <triqs/gf/re_im_time.hpp>
#include <triqs/gf/refreq_imtime.hpp>
#include <triqs/gf/local/fourier_real.hpp>
#include <triqs/arrays.hpp>
namespace tql= triqs::clef;
using triqs::gf::Fermion;
using triqs::gf::make_gf;
using triqs::gf::retime;
using triqs::gf::refreq;
using triqs::gf::refreq_imtime;
using triqs::gf::re_im_time;
using triqs::gf::re_im_freq;
using triqs::arrays::make_shape;
using triqs::gf::scalar_valued;
int main() {
double beta =1.;
double tmin=0.;
double tmax=1.0;
int n_re_time=100;
int n_im_time=100;
double wmin=0.;
double wmax=1.0;
int n_re_freq=100;
int n_im_freq=100;
auto G_t_tau= make_gf<re_im_time, scalar_valued>( tmin, tmax, n_re_time, beta, Fermion, n_im_time);
auto G_w_wn = make_gf<re_im_freq, scalar_valued>( wmin, wmax, n_re_freq, beta, Fermion, n_im_freq);
auto G_w_tau= make_gf<refreq_imtime, scalar_valued>(wmin, wmax, n_re_freq, beta, Fermion, n_im_time);
triqs::clef::placeholder<0> w_;
triqs::clef::placeholder<1> wn_;
triqs::clef::placeholder<2> tau_;
G_w_wn(w_,wn_)<<1/(wn_-1)/( pow(w_,3) );
G_w_tau(w_,tau_)<< exp( -2*tau_ ) / (w_*w_ +1 );
std::cout << G_t_tau(0.789,0.123) << std::endl;
std::cout << G_w_wn( 0.789,0.123) << std::endl;
std::cout << G_w_tau(0.789,0.123) << std::endl;
// test hdf5
H5::H5File file("gf_re_im_freq_time.h5", H5F_ACC_TRUNC );
h5_write(file, "g_t_tau", G_t_tau);
h5_write(file, "g_w_wn", G_w_wn);
h5_write(file, "g_w_tau", G_w_tau);
// try to slice it
auto gt = slice_mesh_imtime(G_t_tau, 1);
std::cout << gt.data()<< std::endl ;
h5_write(file, "gt0", gt);
auto gw = slice_mesh_imtime(G_w_tau, 1);
std::cout << gw.data()<< std::endl ;
h5_write(file, "gw0", gw);
}

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/*******************************************************************************
*
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
*
* Copyright (C) 2012 by M. Ferrero, O. Parcollet
*
* TRIQS is free software: you can redistribute it and/or modify it under the
* terms of the GNU General Public License as published by the Free Software
* Foundation, either version 3 of the License, or (at your option) any later
* version.
*
* TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
* WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
* FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
* details.
*
* You should have received a copy of the GNU General Public License along with
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
*
******************************************************************************/
#ifndef TRIQS_GF_RE_IM_FREQ_H
#define TRIQS_GF_RE_IM_FREQ_H
#include "./tools.hpp"
#include "./gf.hpp"
#include "./refreq.hpp"
#include "./imfreq.hpp"
#include "./meshes/product.hpp"
namespace triqs { namespace gf {
struct re_im_freq {};
namespace gf_implementation {
// the mesh
template<typename Opt> struct mesh<re_im_freq,Opt> {
typedef typename mesh<refreq,Opt>::type m1_t;
typedef typename mesh<imfreq,Opt>::type m2_t;
typedef mesh_product<m1_t,m2_t> type;
static type make (double wmin, double wmax, size_t n_freq_re, double beta, statistic_enum S, size_t n_freq_im) {
return {make_gf_mesh<refreq,Opt>(wmin,wmax,n_freq_re,full_bins), make_gf_mesh<imfreq,Opt>(beta, S, n_freq_im)};
}
};
// singularity
template<typename Opt> struct singularity<re_im_freq,scalar_valued,Opt> { typedef gf<refreq,scalar_valued> type;};
// h5 name
template<typename Opt> struct h5_name<re_im_freq,scalar_valued,Opt> { static std::string invoke(){ return "GfReImFreq";}};
/// --------------------------- data access ---------------------------------
template<typename Opt> struct data_proxy<re_im_freq,scalar_valued,Opt> : data_proxy_array<std::complex<double>,1> {};
/// --------------------------- evaluator ---------------------------------
template<typename Opt>
struct evaluator<re_im_freq,scalar_valued,Opt> {
static constexpr int arity = 2;
template<typename G>
std::complex<double> operator() (G const * g, double w, long n) const {
auto & data = g->data();
auto & mesh = g->mesh();
size_t nr; double wr; bool in;
std::tie(in, nr, wr) = windowing( std::get<0>(g->mesh().components()), w);
if (!in) TRIQS_RUNTIME_ERROR <<" Evaluation out of bounds";
auto gg = [g,data,mesh]( size_t nr, size_t n) {return data(mesh.index_to_linear(std::tuple<size_t,size_t>{nr,n}));};
return wr * gg(nr,n) + (1-wr) * gg(nr+1,n) ;
}
};
// ------------------------------- Factories --------------------------------------------------
template<typename Opt> struct factories<re_im_freq, scalar_valued,Opt> {
typedef gf<re_im_freq, scalar_valued,Opt> gf_t;
// typedef typename mesh<re_im_freq, Opt>::type mesh_t;
static gf_t make_gf(double wmin, double wmax, size_t nw, double beta, statistic_enum S, size_t nwn) {
auto m = make_gf_mesh<re_im_freq,Opt>(wmin, wmax, nw, beta, S, nwn);
typename gf_t::data_non_view_t A(m.size());
A() =0;
return gf_t (m, std::move(A), triqs::gf::make_gf<refreq,scalar_valued>(wmin, wmax, nw), nothing() ) ;
}
};
} // gf_implementation
}}
#endif

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/*******************************************************************************
*
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
*
* Copyright (C) 2012 by M. Ferrero, O. Parcollet
*
* TRIQS is free software: you can redistribute it and/or modify it under the
* terms of the GNU General Public License as published by the Free Software
* Foundation, either version 3 of the License, or (at your option) any later
* version.
*
* TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
* WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
* FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
* details.
*
* You should have received a copy of the GNU General Public License along with
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
*
******************************************************************************/
#ifndef TRIQS_GF_RE_IM_TIMES_H
#define TRIQS_GF_RE_IM_TIMES_H
#include "./tools.hpp"
#include "./gf.hpp"
#include "./retime.hpp"
#include "./imtime.hpp"
#include "./meshes/product.hpp"
namespace triqs { namespace gf {
struct re_im_time {};
namespace gf_implementation {
// the mesh
template<typename Opt> struct mesh<re_im_time,Opt> {
typedef typename mesh<retime,Opt>::type m1_t;
typedef typename mesh<imtime,Opt>::type m2_t;
typedef mesh_product<m1_t,m2_t> type;
static type make (double tmin, double tmax, size_t nt, double beta, statistic_enum S, size_t ntau, triqs::gf::mesh_kind mk=triqs::gf::full_bins) {
return {make_gf_mesh<retime,Opt>(tmin,tmax,nt), make_gf_mesh<imtime,Opt>(beta,S, ntau, mk)};
}
};
// singularity
//template<typename Opt> struct singularity<re_im_time, scalar_valued, Opt> { typedef gf<retime,scalar_valued> type;};
// h5 name
template<typename Opt> struct h5_name<re_im_time,scalar_valued,Opt> { static std::string invoke(){ return "GfReImTime";}};
/// --------------------------- data access ---------------------------------
template<typename Opt> struct data_proxy<re_im_time,scalar_valued,Opt> : data_proxy_array<std::complex<double>,1> {};
/// --------------------------- evaluator ---------------------------------
template<typename Opt>
struct evaluator<re_im_time,scalar_valued,Opt> {
static constexpr int arity = 2;
template<typename G>
std::complex<double> operator() (G const * g, double t, double tau) const {
//auto & data = g->data();
//auto & mesh = g->mesh();
double beta = std::get<1>(g->mesh().components()).domain().beta;
int p = std::floor(tau/beta);
tau -= p*beta;
size_t nr,ni; double wr,wi; bool in;
std::tie(in, nr, wr) = windowing( std::get<0>(g->mesh().components()),t);
if (!in) TRIQS_RUNTIME_ERROR <<" Evaluation out of bounds";
std::tie(in, ni, wi) = windowing( std::get<1>(g->mesh().components()),tau);
if (!in) TRIQS_RUNTIME_ERROR <<" Evaluation out of bounds";
auto gg = on_mesh(*g); //[g]( size_t nr, size_t ni) {return g->on_mesh(nr,ni);}; //data( g->mesh().index_to_linear(nr,ni));
auto res = wr *( wi*gg(nr,ni) + (1-wi)*gg(nr,ni+1)) + (1-wr) * ( wi*gg(nr+1,ni) + (1-wi)*gg(nr+1,ni+1));
return ((std::get<1>(g->mesh().components()).domain().statistic == Fermion) && (p%2==1) ? -res : res);
}
};
// ------------------------------- Factories --------------------------------------------------
template<typename Opt> struct factories<re_im_time, scalar_valued,Opt> {
typedef gf<re_im_time, scalar_valued,Opt> gf_t;
// typedef typename mesh<re_im_time, Opt>::type mesh_t;
static gf_t make_gf(double tmin, double tmax, size_t nt, double beta, statistic_enum S, size_t ntau, mesh_kind mk=full_bins) {
auto m = make_gf_mesh<re_im_time,Opt>(tmin,tmax, nt, beta, S, ntau, mk);
typename gf_t::data_non_view_t A(m.size());
A() =0;
return gf_t (m, std::move(A), nothing(), nothing());
//return gf_t (m, std::move(A), triqs::gf::make_gf<retime,scalar_valued>(tmin, tmax, nt), nothing());
}
};
} // gf_implementation
// CHANGE THIS NAME !!!
template<typename RHS, bool V, typename Variable, typename Target, typename Opt >
void assign_from_expression (gf_impl<Variable,Target,Opt,V> const &, RHS) {}
//slices
gf_view<retime,scalar_valued> slice_mesh_imtime (gf_view<re_im_time,scalar_valued> g, size_t index) {
auto arr = reinterpret_linear_array(g.mesh(),g.data()); // view it as a 2d array
return { std::get<0>(g.mesh().components()), arr(arrays::range(), index), local::tail(1,1), nothing() };
}
/* gf_view<imtime,scalar_valued> slice_mesh_retime ( gf_view<re_im_time,scalar_valued> g, size_t index) {
auto arr = reinterpret_linear_array(g.mesh(),g.data()); // view it as a 2d array
return { std::get<1>(g.mesh().components()), arr(index, arrays::range()), g.singularity().singularity(), nothing() };
}
*/
//
// gf_view<retime,scalar_valued> slice_meshes ( gf_view<re_im_time,scalar_valued> g, size_t index) {
// return { std::get<0>(g.mesh().components()), g.data()(arrays::range(), index), tail ( g.singularity(.......) ), g.symmetry()}
// }
}}
#endif

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/*******************************************************************************
*
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
*
* Copyright (C) 2012 by M. Ferrero, O. Parcollet
*
* TRIQS is free software: you can redistribute it and/or modify it under the
* terms of the GNU General Public License as published by the Free Software
* Foundation, either version 3 of the License, or (at your option) any later
* version.
*
* TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
* WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
* FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
* details.
*
* You should have received a copy of the GNU General Public License along with
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
*
******************************************************************************/
#ifndef TRIQS_GF_IMTIME_REFREQ_TIMES_H
#define TRIQS_GF_IMTIME_REFREQ_TIMES_H
#include "./tools.hpp"
#include "./gf.hpp"
#include "./imtime.hpp"
#include "./refreq.hpp"
#include "./meshes/product.hpp"
namespace triqs { namespace gf {
struct refreq_imtime {};
namespace gf_implementation {
// the mesh
template<typename Opt> struct mesh<refreq_imtime,Opt> {
typedef typename mesh<refreq,Opt>::type m1_t;
typedef typename mesh<imtime,Opt>::type m2_t;
typedef mesh_product<m1_t,m2_t> type;
static type make (double wmin, double wmax, size_t n_freq, double beta, statistic_enum S, size_t nt, mesh_kind mk=full_bins ) {
return {make_gf_mesh<refreq,Opt>(wmin,wmax,n_freq), make_gf_mesh<imtime,Opt>(beta,S,nt,mk)};
}
};
// singularity
//template<typename Opt> struct singularity<refreq_imtime,scalar_valued,Opt> { typedef gf<retime,scalar_valued> type;};
// h5 name
template<typename Opt> struct h5_name<refreq_imtime,scalar_valued,Opt> { static std::string invoke(){ return "GfReFreqImTime";}};
/// --------------------------- data access ---------------------------------
template<typename Opt> struct data_proxy<refreq_imtime,scalar_valued,Opt> : data_proxy_array<std::complex<double>,1> {};
/// --------------------------- evaluator ---------------------------------
template<typename Opt>
struct evaluator<refreq_imtime,scalar_valued,Opt> {
static constexpr int arity = 2;
template<typename G>
std::complex<double> operator() (G const * g, double omega, double tau) const {
double beta = std::get<1>(g->mesh().components()).domain().beta;
int p = std::floor(tau/beta);
tau -= p*beta;
size_t n1,n2; double w1,w2; bool in;
std::tie(in, n1, w1) = windowing( std::get<0>(g->mesh().components()),omega);
if (!in) TRIQS_RUNTIME_ERROR <<" Evaluation out of bounds";
std::tie(in, n2, w2) = windowing( std::get<1>(g->mesh().components()),tau);
if (!in) TRIQS_RUNTIME_ERROR <<" Evaluation out of bounds";
auto gg = on_mesh(*g); //[g]( size_t n1, size_t n2) {return g->on_mesh(n1,n2);};
auto res = w1 *( w2*gg(n1,n2) + (1-w2)*gg(n1,n2+1)) + (1-w1) * ( w2*gg(n1+1,n2) + (1-w2)*gg(n1+1,n2+1));
return ((std::get<1>(g->mesh().components()).domain().statistic == Fermion) && (p%2==1) ? -res : res);
}
};
// ------------------------------- Factories --------------------------------------------------
template<typename Opt> struct factories<refreq_imtime, scalar_valued,Opt> {
typedef gf<refreq_imtime, scalar_valued,Opt> gf_t;
static gf_t make_gf(double wmin, double wmax, size_t n_freq, double beta, statistic_enum S, size_t nt, mesh_kind mk=full_bins) {
auto m = make_gf_mesh<refreq_imtime,Opt>(wmin, wmax, n_freq, beta,S, nt, mk);
typename gf_t::data_non_view_t A(m.size());
A() =0;
return gf_t (m, std::move(A), nothing(), nothing() ) ;
}
};
} // gf_implementation
//slices
gf_view<refreq,scalar_valued> slice_mesh_imtime (gf_view<refreq_imtime,scalar_valued> g, size_t index) {
auto arr = reinterpret_linear_array(g.mesh(),g.data()); // view it as a 2d array
return { std::get<0>(g.mesh().components()), arr(index,arrays::range()), local::tail(1,1), nothing() };
}
}}
#endif