mirror of
https://github.com/triqs/dft_tools
synced 2024-12-26 06:14:14 +01:00
draft of multi-time gf (t,tau), etc...
This commit is contained in:
Laura Messio
Olivier Parcollet
parent
38d89e2d01
commit
798ba1c800
64
test/triqs/gf/gf_re_im_freq_time.cpp
Normal file
64
test/triqs/gf/gf_re_im_freq_time.cpp
Normal file
@ -0,0 +1,64 @@
|
|||||||
|
#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);
|
||||||
|
|
||||||
|
|
||||||
|
}
|
||||||
90
triqs/gf/re_im_freq.hpp
Normal file
90
triqs/gf/re_im_freq.hpp
Normal file
@ -0,0 +1,90 @@
|
|||||||
|
/*******************************************************************************
|
||||||
|
*
|
||||||
|
* 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
|
||||||
|
|
||||||
116
triqs/gf/re_im_time.hpp
Normal file
116
triqs/gf/re_im_time.hpp
Normal file
@ -0,0 +1,116 @@
|
|||||||
|
/*******************************************************************************
|
||||||
|
*
|
||||||
|
* 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
|
||||||
|
|
||||||
99
triqs/gf/refreq_imtime.hpp
Normal file
99
triqs/gf/refreq_imtime.hpp
Normal file
@ -0,0 +1,99 @@
|
|||||||
|
/*******************************************************************************
|
||||||
|
*
|
||||||
|
* 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
|
||||||
|
|
||||||
Loading…
Reference in New Issue
Block a user