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https://github.com/triqs/dft_tools
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Extending fit_tail for scalar_valued (+ test)
-> extension by using reinterpret_scalar_valued_as_matrix_valued
This commit is contained in:
tayral
Olivier Parcollet
parent
da7e7ec971
commit
708c47305c
@ -16,6 +16,7 @@ void test_0(){
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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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@ -27,11 +28,13 @@ void test_0(){
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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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@ -39,16 +42,17 @@ void test_0(){
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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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@ -61,13 +65,15 @@ void test_0(){
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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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@ -75,7 +81,9 @@ void test_1(){
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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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@ -85,8 +93,11 @@ void test_1(){
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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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@ -106,31 +117,12 @@ void test_2(){
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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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void test_3(){
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//real life test: find tails of 1/(iom -1) --> bosonic case
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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, Boson, N}, {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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test_3();
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}
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@ -20,7 +20,11 @@
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... Order 8 =
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[[(0,0)]]
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(gw.singularity()) ---> tail/tail_view: min/smallest/max = 1 1 3
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(gw.singularity()) ---> tail/tail_view: min/smallest/max = -1 1 3
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... Order -1 =
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[[(0,0)]]
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... Order 0 =
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[[(0,0)]]
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... Order 1 =
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[[(1,0)]]
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... Order 2 =
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@ -28,7 +32,11 @@
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... Order 3 =
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[[(5,0)]]
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(gw.singularity()) ---> tail/tail_view: min/smallest/max = 1 1 3
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(gw_s.singularity()) ---> tail/tail_view: min/smallest/max = -1 1 3
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... Order -1 =
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[[(0,0)]]
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... Order 0 =
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[[(0,0)]]
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... Order 1 =
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[[(1,0)]]
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... Order 2 =
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@ -36,7 +44,23 @@
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... Order 3 =
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[[(5,0)]]
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(gw.singularity()) ---> tail/tail_view: min/smallest/max = 1 1 4
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(gw.singularity()) ---> tail/tail_view: min/smallest/max = -1 1 3
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... Order -1 =
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[[(0,0)]]
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... Order 0 =
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[[(0,0)]]
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... Order 1 =
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[[(1,0)]]
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... Order 2 =
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[[(3,0)]]
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... Order 3 =
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[[(5,0)]]
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(gw.singularity()) ---> tail/tail_view: min/smallest/max = -1 1 4
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... Order -1 =
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[[(0,0)]]
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... Order 0 =
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[[(0,0)]]
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... Order 1 =
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[[(1,0)]]
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... Order 2 =
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@ -46,23 +70,31 @@
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... Order 4 =
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[[(0.998655,0)]]
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(gw.singularity()) ---> tail/tail_view: min/smallest/max = 1 1 4
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(gw_b.singularity()) ---> tail/tail_view: min/smallest/max = -1 1 4
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... Order -1 =
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[[(0,0)]]
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... Order 0 =
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[[(0,0)]]
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... Order 1 =
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[[(1,0)]]
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... Order 2 =
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[[(1,0)]]
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... Order 3 =
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[[(0.999251,0)]]
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... Order 4 =
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[[(0.998655,0)]]
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(gw.singularity()) ---> tail/tail_view: min/smallest/max = 1 1 4
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... Order 1 =
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[[(1,0)]]
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... Order 2 =
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[[(1,0)]]
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... Order 3 =
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[[(0.999236,0)]]
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[[(0.999209,0)]]
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... Order 4 =
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[[(0.998631,0)]]
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(gw.singularity()) ---> tail/tail_view: min/smallest/max = -1 1 4
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... Order -1 =
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[[(0,0)]]
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... Order 0 =
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[[(0,0)]]
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... Order 1 =
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[[(1,0)]]
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... Order 2 =
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[[(1,0)]]
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... Order 3 =
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[[(0.999251,0)]]
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... Order 4 =
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[[(0.998655,0)]]
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@ -26,9 +26,7 @@
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#include <triqs/arrays/blas_lapack/gelss.hpp>
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#include <triqs/python_tools/cython_proxy.hpp>
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namespace triqs {
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namespace gfs {
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namespace local {
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namespace triqs { namespace gfs { namespace local {
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using triqs::gfs::imfreq;
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using triqs::gfs::block_index;
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@ -50,9 +48,9 @@ namespace gfs {
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// output: returns the tail obtained by fitting
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tail fit_tail_impl(gf<imfreq> &gf, const tail_view known_moments, int n_moments, int n_min, int n_max) {
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tail fit_tail_impl(gf_view<imfreq> gf, const tail_view known_moments, int n_moments, int n_min, int n_max) {
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tail res(get_target_shape(gf), n_moments, known_moments.order_min());
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tail res(get_target_shape(gf));
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if (known_moments.size())
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for (int i = known_moments.order_min(); i <= known_moments.order_max(); i++) res(i) = known_moments(i);
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@ -132,16 +130,14 @@ namespace gfs {
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}
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}
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}
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res.mask_view()=n_moments;
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return res; // return tail
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}
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void set_tail_from_fit(gf<imfreq> &gf, tail_view known_moments, int n_moments, size_t n_min, size_t n_max,
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void set_tail_from_fit(gf_view<imfreq> gf, tail_view known_moments, int n_moments, size_t n_min, size_t n_max,
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bool replace_by_fit = false) {
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if (get_target_shape(gf) != known_moments.shape()) TRIQS_RUNTIME_ERROR << "shape of tail does not match shape of gf";
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gf.singularity() = fit_tail_impl(gf, known_moments, n_moments, n_min, n_max);
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if (replace_by_fit) { // replace data in the fitting range by the values from the fitted tail
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size_t i = 0;
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for (auto iw : gf.mesh()) { // (arrays::range(n_min,n_max+1)) {
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@ -151,14 +147,15 @@ namespace gfs {
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}
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}
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void set_tail_from_fit(gf<block_index, gf<imfreq>> &block_gf, tail_view known_moments, int n_moments, size_t n_min,
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void set_tail_from_fit(gf_view<block_index, gf<imfreq>> block_gf, tail_view known_moments, int n_moments, size_t n_min,
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size_t n_max, bool replace_by_fit = false) {
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// for(auto &gf : block_gf) set_tail_from_fit(gf, known_moments, n_moments, n_min, n_max, replace_by_fit);
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for (size_t i = 0; i < block_gf.mesh().size(); i++)
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set_tail_from_fit(block_gf[i], known_moments, n_moments, n_min, n_max, replace_by_fit);
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}
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void set_tail_from_fit(gf_view<imfreq, scalar_valued> gf, tail_view known_moments, int n_moments, size_t n_min, size_t n_max, bool replace_by_fit = false) {
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set_tail_from_fit(reinterpret_scalar_valued_gf_as_matrix_valued(gf), known_moments, n_moments, n_min, n_max, replace_by_fit );
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}
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}
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} // namespace
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}}} // namespace
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#endif
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