mirror of
https://github.com/triqs/dft_tools
synced 2024-11-01 03:33:50 +01:00
4af1afbdaf
- For users : only change is :
H5::H5File in apps. to be replaced by triqs::h5::file, same API.
- using only the C API because :
- it is cleaner, better documented, more examples.
- it is the native hdf5 interface.
- simplify the installation e.g. on mac. Indeed, hdf5 is
usually installed without C++ interface, which is optional.
E.g. EPD et al., brew by default.
Also the infamous mpi+ hdf5_cpp bug, for which we have no clean solution.
- clean the notion of parent of a group. Not needed, better iterate function in C LT API.
- modified doc : no need for C++ bindings any more.
- modified cmake to avoid requiring CPP bindings.
76 lines
2.1 KiB
C++
76 lines
2.1 KiB
C++
#define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
|
|
#include <triqs/gfs.hpp>
|
|
#include <triqs/gfs/bz.hpp>
|
|
|
|
|
|
// FAIRE make_value !!
|
|
//
|
|
using namespace triqs::gfs;
|
|
using namespace triqs::clef;
|
|
using namespace triqs::arrays;
|
|
using namespace triqs::lattice;
|
|
template <typename Function, typename Mesh>
|
|
// requires ( is_function_on_mesh<Function,Mesh>())
|
|
auto sum_gf(Function const &f, Mesh const &m) ->decltype(make_matrix(0*f(*(m.begin())))) {
|
|
//auto sum_gf(Function const &f, Mesh const &m) {
|
|
//auto res = typename triqs::regular_type_if_exists_else_type<decltype(f(typename Mesh::mesh_point_t{}))>::type (f(m.begin()));
|
|
auto res = make_matrix(0*f(*(m.begin())));
|
|
for (auto const &x : m) res = res + f(x);
|
|
return res;
|
|
}
|
|
namespace triqs {
|
|
namespace clef {
|
|
TRIQS_CLEF_MAKE_FNT_LAZY(sum_gf);
|
|
TRIQS_CLEF_MAKE_FNT_LAZY(conj);
|
|
}
|
|
}
|
|
|
|
#define TEST(...) std::cout << BOOST_PP_STRINGIZE((__VA_ARGS__)) << " ---> " << (__VA_ARGS__) << std::endl << std::endl;
|
|
|
|
int main() {
|
|
try {
|
|
double beta = 1;
|
|
|
|
auto bz_ = brillouin_zone{bravais_lattice{make_unit_matrix<double>(2)}};
|
|
|
|
auto g_eps = gf<bz>{{bz_, 20}, {1, 1}};
|
|
|
|
auto G_k_iom = gf<cartesian_product<bz, imfreq>>{{{bz_, 20}, {beta, Fermion, 100}}, {1, 1}};
|
|
|
|
// try to assign to expression
|
|
placeholder<0> k_;
|
|
placeholder<1> w_;
|
|
auto eps = make_expr( [](k_t const& k) { return -2 * (cos(k(0)) + cos(k(1))); }) ;
|
|
|
|
G_k_iom(k_, w_) << 1 / (w_ - eps(k_));
|
|
|
|
|
|
auto G_loc = gf<imfreq, matrix_valued, no_tail>{{beta, Fermion, 100}, {1, 1}};
|
|
|
|
auto r = G_k_iom(k_t{0, 0}, matsubara_freq{0, beta, Fermion});
|
|
|
|
auto r5 = sum_gf(k_ >> G_k_iom(k_,0), g_eps.mesh());
|
|
G_loc(w_) << sum_gf(k_ >> G_k_iom(k_,w_), g_eps.mesh());
|
|
|
|
TEST(G_loc(0));
|
|
|
|
auto G_k_tau = gf<cartesian_product<bz, imtime>>{{{bz_, 20}, {beta, Fermion, 100}}, {1, 1}};
|
|
|
|
//auto r3 = partial_eval<0>(G_k_iom,0);
|
|
//auto r4 = partial_eval<0>(G_k_tau,0);
|
|
//auto gt = curry<0>(G_k_tau) [0];
|
|
//auto gw = curry<0>(G_k_iom)[0];
|
|
|
|
//curry<0>(G_k_tau) [k_] << inverse_fourier(curry<0>(G_k_iom)[k_]);
|
|
|
|
//TEST(G_k_tau[{0,0}]);
|
|
|
|
// hdf5
|
|
//h5::file file("ess_g_k_om.h5", H5F_ACC_TRUNC );
|
|
//h5_write(file, "g", G);
|
|
|
|
|
|
}
|
|
TRIQS_CATCH_AND_ABORT;
|
|
}
|