mirror of
https://github.com/triqs/dft_tools
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129 lines
4.5 KiB
C++
129 lines
4.5 KiB
C++
#//define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
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#include <triqs/gfs.hpp>
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#include <triqs/gfs/local/fit_tail.hpp>
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using triqs::arrays::make_shape;
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using namespace triqs::gfs;
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using triqs::gfs::local::tail;
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#define TEST(X) std::cout << BOOST_PP_STRINGIZE((X)) << " ---> "<< (X) <<std::endl<<std::endl;
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void test_0(){
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double precision=10e-9;
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triqs::clef::placeholder<0> iom_;
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double beta =10;
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int N=100;
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auto gw = gf<imfreq>{{beta, Fermion, N},{1,1}};
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auto gw_s = gf<imfreq, scalar_valued>{{beta, Fermion, N}};
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triqs::arrays::array<double,1> c(3);
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triqs::clef::placeholder<1> i_;
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c(i_) << (2*i_+1);
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int size=0; //means we don't know any moments
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int order_min=1; //means that the first moment in the final tail will be the first moment
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auto known_moments = tail(make_shape(1,1), size, order_min); //length is 0, first moment to fit is order_min
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gw(iom_) << c(0)/iom_ + c(1)/iom_/iom_ + c(2)/iom_/iom_/iom_;
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gw_s(iom_) << c(0)/iom_ + c(1)/iom_/iom_ + c(2)/iom_/iom_/iom_;
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TEST(gw.singularity());
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//erase tail
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for(auto &i : gw.singularity().data()) i = 0.0;
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for(auto &i : gw_s.singularity().data()) i = 0.0;
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size_t wn_min=50; //frequency to start the fit
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size_t wn_max=90; //final fitting frequency (included)
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int n_moments=3; //number of moments in the final tail (including known ones)
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//restore tail
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set_tail_from_fit(gw, known_moments, n_moments, wn_min, wn_max);
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set_tail_from_fit(gw_s, known_moments, n_moments, wn_min, wn_max);
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TEST(gw.singularity());
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TEST(gw_s.singularity());
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/*
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for(size_t i=0; i<first_dim(c); i++){
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double diff = std::abs( c(i) - gw.singularity().data()(i,0,0) );
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//std::cout<< "diff: " << diff <<std::endl;
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if (diff > precision) TRIQS_RUNTIME_ERROR<<" fit_tail error : diff="<<diff<<"\n";
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}
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*/
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//erase tail
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for(auto &i : gw.singularity().data()) i = 0.0;
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//now with a known moment
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size=1; //means that we know one moment
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order_min=1; //means that the first moment in the final tail will be the first moment
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known_moments = tail(make_shape(1,1), size, order_min); //length is 0, first moment to fit is order_min
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known_moments(1)=1.;//set the first moment
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set_tail_from_fit(gw, known_moments, n_moments, wn_min, wn_max, true);//true replace the gf data in the fitting range by the tail values
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TEST(gw.singularity());
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/*
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for(size_t i=0; i<first_dim(c); i++){
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double diff = std::abs( c(i) - gw.singularity().data()(i,0,0) );
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//std::cout<< "diff: " << diff <<std::endl;
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if (diff > precision) TRIQS_RUNTIME_ERROR<<" fit_tail error : diff="<<diff<<"\n";
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}
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*/
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}
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void test_1(){
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//real life test: find tails of 1/(iom -1)
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triqs::clef::placeholder<0> iom_;
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double beta =10;
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int N=100;
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auto gw = gf<imfreq>{{beta, Fermion, N}, {1, 1}};
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auto gw_b = gf<imfreq>{{beta, Boson, N}, {1, 1}};
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gw(iom_) << 1/(iom_-1);
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gw_b(iom_) << 1/(iom_-1);
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size_t wn_min=50; //frequency to start the fit
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size_t wn_max=90; //final fitting frequency (included)
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int n_moments=4; //number of moments in the final tail (including known ones)
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int size=1; //means that we know one moment
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int order_min=1; //means that the first moment in the final tail will be the first moment
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auto known_moments = tail(make_shape(1,1), size, order_min); //length is 0, first moment to fit is order_min
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known_moments(1)=1.;//set the first moment
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set_tail_from_fit(gw, known_moments, n_moments, wn_min, wn_max, true);//true replace the gf data in the fitting range by the tail values
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set_tail_from_fit(gw_b, known_moments, n_moments, wn_min, wn_max, true);//true replace the gf data in the fitting range by the tail values
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TEST(gw.singularity());
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TEST(gw_b.singularity());
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}
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void test_2(){
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//real life test: find tails of 1/(iom -1) -- with positive and negative matsubara
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triqs::clef::placeholder<0> iom_;
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double beta =10;
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int N=200;
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auto gw = gf<imfreq>{{beta, Fermion, N, false}, {1, 1}};
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gw(iom_) << 1/(iom_-1);
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size_t wn_min=50; //frequency to start the fit
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size_t wn_max=90; //final fitting frequency (included)
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int n_moments=4; //number of moments in the final tail (including known ones)
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int size=1; //means that we know one moment
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int order_min=1; //means that the first moment in the final tail will be the first moment
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auto known_moments = tail(make_shape(1,1), size, order_min); //length is 0, first moment to fit is order_min
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known_moments(1)=1.;//set the first moment
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set_tail_from_fit(gw, known_moments, n_moments, wn_min, wn_max, true);//true replace the gf data in the fitting range by the tail values
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TEST(gw.singularity());
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}
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int main() {
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test_0();
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test_1();
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test_2();
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}
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