[gf] Rewrite the evaluator of multivariable gf

- Use a simpler approach, with a series of little template (multivar_eval) which are mako generated. - Various simplification of one var evaluator as well. - Clean imfreq evaluator - Change the call of () of evaluator to & from * - Simpler to use a ref. - Warning ! The constructor must still take a G * otherwise, infinite loop in constructing gf_impl [gf] Move things around and fix C++11
amoutenet · Dec 15, 2015 · 0f59d9e · 0f59d9e
1 parent 48fc8af
commit 0f59d9e
Show file tree

Hide file tree

Showing 90 changed files with 1,057 additions and 1,032 deletions.
diff --git a/doc/reference/gfs/c++/tail_0.cpp b/doc/reference/gfs/c++/tail_0.cpp
@@ -1,6 +1,5 @@
-#include <Python.h>
+#include <triqs/gfs.hpp>
 #include <iostream>
-#include <triqs/gfs/local/tail.hpp>
 int main() {
  int N1 = 1, N2 = 1;
  triqs::gfs::tail t(N1, N2);

diff --git a/doc/reference/gfs/c++/tail_1.cpp b/doc/reference/gfs/c++/tail_1.cpp
@@ -1,5 +1,5 @@
 #include <triqs/gfs.hpp>
-#include <triqs/gfs/local/fit_tail.hpp>
+#include <triqs/gfs/singularity/fit_tail.hpp>
 using namespace triqs::gfs;
 int main() {
  triqs::clef::placeholder<0> iom_;

diff --git a/doc/reference/gfs/c++/tail_fit_0.cpp b/doc/reference/gfs/c++/tail_fit_0.cpp
@@ -1,5 +1,5 @@
 #include <triqs/gfs.hpp>
-#include <triqs/gfs/local/fit_tail.hpp>
+#include <triqs/gfs/singularity/fit_tail.hpp>
 using namespace triqs::gfs;
 int main() {
  triqs::clef::placeholder<0> iom_;

diff --git a/pytriqs/gf/local/gf_desc.py b/pytriqs/gf/local/gf_desc.py
@@ -2,10 +2,10 @@
 
 module = module_(full_name = "pytriqs.gf.local.gf", doc = "Local Green functions ...")
 module.add_include("<triqs/gfs.hpp>")
-module.add_include("<triqs/gfs/local/functions.hpp>")
-module.add_include("<triqs/gfs/local/fit_tail.hpp>")
-module.add_include("<triqs/gfs/local/pade.hpp>")
-module.add_include("<triqs/gfs/local/legendre_matsubara.hpp>")
+module.add_include("<triqs/gfs/functions/functions.hpp>")
+module.add_include("<triqs/gfs/singularity/fit_tail.hpp>")
+module.add_include("<triqs/gfs/transform/pade.hpp>")
+module.add_include("<triqs/gfs/legacy_for_python_api.hpp>")
 module.add_include("<triqs/python_tools/converters/string.hpp>")
 module.add_include("<triqs/python_tools/converters/arrays.hpp>")
 module.add_include("<triqs/python_tools/converters/h5.hpp>")

diff --git a/run_mako.py b/run_mako.py
@@ -0,0 +1,23 @@
+from mako.template import Template
+import sys
+
+# --- Parsing the arguments of the script and options
+import argparse
+
+parser = argparse.ArgumentParser(description="""
+Generate the C++ file from the mako/C++  template
+""")
+
+parser.add_argument('filename', help = "Name of the file")
+parser.add_argument('--outputname', '-o',  help="Name of the xxx_desc.py file [default is same as the filename]", default = '')
+args = parser.parse_args()
+
+#------------
+
+output = args.outputname or args.filename.replace(r'.mako','')
+tpl = Template(filename=args.filename)
+rendered = tpl.render().strip()
+print rendered
+with open(output,'w') as f:
+    f.write(rendered)
+
diff --git a/test/triqs/gfs/fourier1.cpp b/test/triqs/gfs/fourier1.cpp
@@ -1,6 +1,5 @@
 #define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
 #include <triqs/gfs.hpp> 
-#include <triqs/gfs/local/fourier_matsubara.hpp> 
 using namespace triqs::gfs;
 #define TEST(X) std::cout << BOOST_PP_STRINGIZE((X)) << " ---> "<< (X) <<std::endl<<std::endl;
 

diff --git a/test/triqs/gfs/g_r_k.cpp b/test/triqs/gfs/g_r_k.cpp
@@ -1,8 +1,5 @@
 #define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
 #include <triqs/gfs.hpp>
-#include <triqs/gfs/bz.hpp>
-#include <triqs/gfs/cyclic_lattice.hpp>
-#include <triqs/gfs/local/fourier_lattice.hpp>
 
 namespace h5 = triqs::h5;
 using namespace triqs::gfs;

diff --git a/test/triqs/gfs/gf3.cpp b/test/triqs/gfs/gf3.cpp
@@ -4,13 +4,7 @@ using namespace triqs::gfs;
 using namespace triqs::arrays;
 namespace h5 = triqs::h5;
 #define TEST(X) std::cout << BOOST_PP_STRINGIZE((X)) << " ---> "<< (X) <<std::endl<<std::endl;
-#include <triqs/gfs/local/functions.hpp> 
-
- // example 
- //template<typename T> using block_gf = gf<block_index, gf<T>>;
- // block_gf<imtime> ... 
- // but not on gcc 4.6 !
- //
+#include <triqs/gfs/functions/functions.hpp> 
 
 int main() {
  try { 

diff --git a/test/triqs/gfs/gf_mul.cpp b/test/triqs/gfs/gf_mul.cpp
@@ -1,7 +1,5 @@
 
-#include <triqs/gfs/block.hpp>
-#include <triqs/gfs/imtime.hpp>
-#include <triqs/gfs/imfreq.hpp>
+#include <triqs/gfs.hpp>
 #define TEST(X) std::cout << BOOST_PP_STRINGIZE((X)) << " ---> "<< (X) <<std::endl<<std::endl;
 
 using namespace triqs::gfs;

diff --git a/test/triqs/gfs/gf_notail.cpp b/test/triqs/gfs/gf_notail.cpp
@@ -5,7 +5,7 @@ using namespace triqs::arrays;
 namespace h5 = triqs::h5;
 
 #define TEST(X) std::cout << BOOST_PP_STRINGIZE((X)) << " ---> " << (X) << std::endl << std::endl;
-#include <triqs/gfs/local/functions.hpp>
+#include <triqs/gfs/functions/functions.hpp>
 
 int main() {
  try {

diff --git a/test/triqs/gfs/gf_positive_and_negative_matsubara.cpp b/test/triqs/gfs/gf_positive_and_negative_matsubara.cpp
@@ -1,6 +1,6 @@
 //#define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
 #include <triqs/gfs.hpp> 
-#include <triqs/gfs/local/functions.hpp> 
+#include <triqs/gfs/functions/functions.hpp> 
 using namespace triqs::gfs;
 #define TEST(X) std::cout << BOOST_PP_STRINGIZE((X)) << " ---> "<< (X) <<std::endl<<std::endl;
 

diff --git a/test/triqs/gfs/gf_scalar.cpp b/test/triqs/gfs/gf_scalar.cpp
@@ -1,6 +1,6 @@
 #define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
 #include <triqs/gfs.hpp> 
-#include <triqs/gfs/local/functions.hpp> 
+#include <triqs/gfs/functions/functions.hpp> 
 using namespace triqs::gfs;
 namespace h5 = triqs::h5;
 

diff --git a/test/triqs/gfs/gfv2.cpp b/test/triqs/gfs/gfv2.cpp
@@ -4,7 +4,8 @@ using namespace triqs::gfs;
 using namespace triqs::arrays;
 namespace h5 = triqs::h5;
 #define TEST(X) std::cout << BOOST_PP_STRINGIZE((X)) << " ---> "<< (X) <<std::endl<<std::endl;
-#include <triqs/gfs/local/functions.hpp> 
+#include <triqs/gfs/functions/functions.hpp> 
+
 
 int main() {
  try { 

diff --git a/test/triqs/gfs/mpi_red.cpp b/test/triqs/gfs/mpi_red.cpp
@@ -4,7 +4,8 @@
 using namespace triqs::gfs;
 using namespace triqs::arrays;
 #define TEST(X) std::cout << BOOST_PP_STRINGIZE((X)) << " ---> "<< (X) <<std::endl<<std::endl;
-#include <triqs/gfs/local/functions.hpp> 
+#include <triqs/gfs/functions/functions.hpp> 
+
 #include <boost/mpi.hpp>
 
 int main(int argc, char* argv[]) {

diff --git a/test/triqs/gfs/multivar/bubble.cpp b/test/triqs/gfs/multivar/bubble.cpp
@@ -1,19 +1,14 @@
 #define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
+#include "test_tools.hpp"
 #include <triqs/gfs.hpp>
-#include <triqs/gfs/bz.hpp>
-#include <triqs/gfs/cyclic_lattice.hpp>
-#include <triqs/gfs/local/fourier_lattice.hpp>
 
 namespace h5 = triqs::h5;
 using namespace triqs::gfs;
 using namespace triqs::clef;
 using namespace triqs::arrays;
 using namespace triqs::lattice;
 
-#define TEST(X) std::cout << BOOST_PP_STRINGIZE((X)) << " ---> " << (X) << std::endl << std::endl;
-
-int main() {
- try {
+TEST(Gf, Bubble) { 
   int N = 4; // 16; // too long, 30 s
   int nw =3;
 
@@ -45,10 +40,11 @@ int main() {
 
   chi0r(inu_, iw_, r_) << Gr(inu_, r_) * Gr(inu_ + iw_, -r_);
 
+
   curry<0,1>(chi0q_from_r)(inu_, iw_) << fourier(on_mesh(curry<0,1>(chi0r))(inu_, iw_));
   //curry<0,1>(chi0q_from_r)(inu_, iw_) << fourier(curry<0,1>(chi0r)(inu_, iw_));
 
-  if (max_element(abs(chi0q_from_r.data() - chi0q.data())) > 1.e-13) TRIQS_RUNTIME_ERROR << "fourier pb";
+  EXPECT_CLOSE_ARRAY(chi0q_from_r.data(),chi0q.data());
 
   //simplified, without frequency dependence
   auto gk = gf<brillouin_zone>{{bz, N} , {1,1}};
@@ -64,15 +60,14 @@ int main() {
   ggr(r_) << gr(r_)*gr(r_);
   ggq_from_r() = fourier(ggr);
 
-  if (max_element(abs(ggq_from_r.data() - ggq.data())) > 1.e-13) TRIQS_RUNTIME_ERROR << "fourier pb";
+  EXPECT_CLOSE_ARRAY(ggq_from_r.data() , ggq.data()); //<<"fourier pb";
 
   // hdf5
   h5::file file("chi0q.h5", H5F_ACC_TRUNC);
   h5_write(file, "chi0q", chi0q);
   h5_write(file, "chi0q_from_r", chi0q_from_r);
- }
- TRIQS_CATCH_AND_ABORT;
 }
+MAKE_MAIN;
 
 
 
diff --git a/test/triqs/gfs/multivar/bubble_scalar.cpp b/test/triqs/gfs/multivar/bubble_scalar.cpp
@@ -1,8 +1,5 @@
 #define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
 #include <triqs/gfs.hpp>
-#include <triqs/gfs/bz.hpp>
-#include <triqs/gfs/cyclic_lattice.hpp>
-#include <triqs/gfs/local/fourier_lattice.hpp>
 
 namespace h5 = triqs::h5;
 using namespace triqs::gfs;

diff --git a/test/triqs/gfs/multivar/curry1.cpp b/test/triqs/gfs/multivar/curry1.cpp
@@ -1,7 +1,5 @@
 #define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
-
 #include <triqs/gfs.hpp> 
-#include <triqs/gfs/local/fourier_real.hpp> 
 
 namespace tql= triqs::clef;
 using namespace triqs::gfs;

diff --git a/test/triqs/gfs/multivar/curry_and_fourier.cpp b/test/triqs/gfs/multivar/curry_and_fourier.cpp
@@ -1,7 +1,5 @@
 #define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
 #include <triqs/gfs.hpp>
-#include <triqs/gfs/bz.hpp>
-#include <triqs/gfs/m_tail.hpp>
 #include "../common.hpp"
 
 namespace h5 = triqs::h5;
@@ -40,7 +38,7 @@ int main() {
   // works also, but uses the evaluator which return to the same point
   // gk_t(k_) << inverse_fourier(gk_w(k_));
   // check last assertion
-  for (auto k : gk_t.mesh()) assert_equal(k.linear_index(), gk_t.mesh().locate_neighbours(k).linear_index(), "k location point");
+  for (auto k : gk_t.mesh()) assert_equal(k.linear_index(), gk_t.mesh().index_to_linear(gk_t.mesh().locate_neighbours(k)), "k location point");
 
   /// Testing the result
   auto gk_w_test = gf<imfreq>{{beta, Fermion, n_freq}, {1, 1}};

diff --git a/test/triqs/gfs/multivar/g_k_om.cpp b/test/triqs/gfs/multivar/g_k_om.cpp
@@ -1,7 +1,5 @@
 #define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
 #include <triqs/gfs.hpp>
-#include <triqs/gfs/bz.hpp>
-#include <triqs/gfs/m_tail.hpp>
 
 namespace h5 = triqs::h5;
 using namespace triqs::gfs;

diff --git a/test/triqs/gfs/multivar/g_k_tail.cpp b/test/triqs/gfs/multivar/g_k_tail.cpp
@@ -1,7 +1,5 @@
 #define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
 #include <triqs/gfs.hpp>
-#include <triqs/gfs/bz.hpp>
-#include <triqs/gfs/m_tail.hpp>
 
 namespace h5 = triqs::h5;
 using namespace triqs::gfs;

diff --git a/test/triqs/gfs/multivar/g_x_t.cpp b/test/triqs/gfs/multivar/g_x_t.cpp
@@ -1,7 +1,5 @@
 #define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
 #include <triqs/gfs.hpp>
-#include <triqs/gfs/bz.hpp>
-#include <triqs/gfs/m_tail.hpp>
 #include "../common.hpp"
 
 namespace h5 = triqs::h5;

diff --git a/test/triqs/gfs/multivar/sym3.cpp b/test/triqs/gfs/multivar/sym3.cpp
@@ -1,6 +1,5 @@
 #define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
 #include <triqs/gfs.hpp>
-#include <triqs/gfs/local/fourier_lattice.hpp>
 
 namespace h5 = triqs::h5;
 using namespace triqs;
@@ -24,7 +23,7 @@ struct my_evaluator {
 
  // all evaluation are rewritten with in terms of the default evaluator.
  template <typename G, typename Nu, typename Nup, typename Om>
- auto operator()(G const *g, Nu const &nu, Nup const &nup, Om const &omega) const {
+ auto operator()(G const &g, Nu const &nu, Nup const &nup, Om const &omega) const {
   if (omega < 0)
    return conj(gv(-nu, -nup, -omega));
   else

diff --git a/test/triqs/gfs/multivar/vertex.cpp b/test/triqs/gfs/multivar/vertex.cpp
@@ -1,7 +1,5 @@
 #define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
-
 #include <triqs/gfs.hpp> 
-#include <triqs/gfs/local/fourier_real.hpp> 
 
 using namespace triqs::gfs;
 using  triqs::clef::placeholder;

diff --git a/test/triqs/gfs/test_fit_tail.cpp b/test/triqs/gfs/test_fit_tail.cpp
@@ -1,7 +1,6 @@
-#//define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
-
+#define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
 #include <triqs/gfs.hpp>
-#include <triqs/gfs/local/fit_tail.hpp>
+#include <triqs/gfs/singularity/fit_tail.hpp>
 
 using triqs::arrays::make_shape;
 using namespace triqs::gfs;

diff --git a/test/triqs/gfs/test_fourier_matsubara.cpp b/test/triqs/gfs/test_fourier_matsubara.cpp
@@ -4,7 +4,6 @@ using namespace triqs::gfs;
 using namespace triqs::arrays;
 namespace h5 = triqs::h5;
 #define TEST(X) std::cout << BOOST_PP_STRINGIZE((X)) << " ---> "<< (X) <<std::endl<<std::endl;
-#include <triqs/gfs/local/fourier_matsubara.hpp> 
 
 int main() {
 

diff --git a/test/triqs/gfs/test_fourier_real_time.cpp b/test/triqs/gfs/test_fourier_real_time.cpp
@@ -4,7 +4,6 @@ using namespace triqs::gfs;
 using namespace triqs::arrays;
 namespace h5 = triqs::h5;
 #define TEST(X) std::cout << BOOST_PP_STRINGIZE((X)) << " ---> "<< (X) <<std::endl<<std::endl;
-#include <triqs/gfs/local/fourier_real.hpp> 
 
 double lorentzian(double w, double a){
   return 2*a / (w*w + a*a) ; 

diff --git a/test/triqs/gfs/test_gf_triqs.cpp b/test/triqs/gfs/test_gf_triqs.cpp
@@ -3,7 +3,6 @@
 using namespace triqs::gfs;
 using namespace triqs::arrays;
 #define TEST(X) std::cout << BOOST_PP_STRINGIZE((X)) << " ---> "<< (X) <<std::endl<<std::endl;
-#include <triqs/gfs/local/fourier_matsubara.hpp> 
 #include<fstream>
 #include <stdexcept>
 #define TEST(X) std::cout << BOOST_PP_STRINGIZE((X)) << " ---> "<< (X) <<std::endl<<std::endl;

diff --git a/test/triqs/gfs/test_rebinning_tau.cpp b/test/triqs/gfs/test_rebinning_tau.cpp
@@ -1,6 +1,6 @@
 #define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
 #include <triqs/gfs.hpp>
-#include <triqs/gfs/local/functions.hpp>
+#include <triqs/gfs/functions/functions.hpp>
 
 using namespace triqs::gfs;
 

diff --git a/triqs/gfs.hpp b/triqs/gfs.hpp
@@ -36,12 +36,12 @@
 #ifndef TRIQS_C11
 #include <triqs/gfs/product.hpp>
 #include <triqs/gfs/curry.hpp>
-#include <triqs/gfs/m_tail.hpp>
+#include <triqs/gfs/singularity/m_tail.hpp>
 #endif
 
-#include <triqs/gfs/local/fourier_matsubara.hpp>
-#include <triqs/gfs/local/fourier_real.hpp>
-#include <triqs/gfs/local/fourier_lattice.hpp>
-#include <triqs/gfs/local/legendre_matsubara.hpp>
+#include <triqs/gfs/transform/fourier_matsubara.hpp>
+#include <triqs/gfs/transform/fourier_real.hpp>
+#include <triqs/gfs/transform/fourier_lattice.hpp>
+#include <triqs/gfs/transform/legendre_matsubara.hpp>
 #endif
 
diff --git a/triqs/gfs/CMakeLists.txt b/triqs/gfs/CMakeLists.txt
@@ -1,2 +1,3 @@
-add_subdirectory(local)
+add_subdirectory(functions)
+add_subdirectory(transform)
 
diff --git a/triqs/gfs/block.hpp b/triqs/gfs/block.hpp
@@ -19,9 +19,7 @@
  *
  ******************************************************************************/
 #pragma once
-#include "./tools.hpp"
 #include "./gf.hpp"
-#include "./local/tail.hpp"
 #include "./meshes/discrete.hpp"
 
 namespace triqs {