mirror of
https://github.com/triqs/dft_tools
synced 2024-12-26 22:33:48 +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.
89 lines
2.0 KiB
C++
89 lines
2.0 KiB
C++
#define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
|
|
#include <triqs/gfs.hpp>
|
|
using namespace triqs::gfs;
|
|
using namespace triqs;
|
|
#define TEST(X) std::cout << BOOST_PP_STRINGIZE((X)) << " ---> " << (X) << std::endl << std::endl;
|
|
|
|
int main() {
|
|
try {
|
|
double beta = 1;
|
|
auto G1 = gf<imfreq>({beta, Fermion}, {2, 2});
|
|
auto G2 = G1;
|
|
auto G3 = G2;
|
|
|
|
// construct some block functions
|
|
auto B0 = block_gf<imfreq>(3);
|
|
|
|
auto B1 = make_block_gf<imfreq>(3, G1);
|
|
auto B2 = make_block_gf<imfreq>({G1, G1, G1});
|
|
auto B3 = make_block_gf<imfreq>({"a", "b", "c"}, {G1, G1, G1});
|
|
auto B4 = block_gf<imfreq>(1);
|
|
|
|
// test hdf5
|
|
{
|
|
h5::file file("ess_gf.h5", H5F_ACC_TRUNC);
|
|
h5_write(file, "B3", B3);
|
|
}
|
|
|
|
{
|
|
h5::file file("ess_gf.h5", H5F_ACC_RDONLY);
|
|
std::cout << "B4 mesh" << B4.mesh().size() << std::endl;
|
|
h5_read(file, "B3", B4);
|
|
std::cout << "B4 mesh" << B4.mesh().size() << std::endl;
|
|
}
|
|
|
|
B1[0][0] = 98;
|
|
// not implemented yet
|
|
// B3["a"][0] = 98;
|
|
|
|
auto View = make_block_gf_view(G1, G2, G3);
|
|
|
|
std::cout << "Number of blocks " << View.mesh().size() << std::endl;
|
|
auto g0 = View[0];
|
|
auto g0v = View[0]();
|
|
|
|
auto Gv = g0();
|
|
|
|
Gv[0] = 20;
|
|
TEST(G1(0));
|
|
Gv[0] = 0;
|
|
|
|
g0v[0] = 3.2;
|
|
TEST(G1(0));
|
|
|
|
// Operation
|
|
g0[0] = 3.2;
|
|
TEST(View[0](0));
|
|
View = View / 2;
|
|
TEST(View[0](0));
|
|
|
|
// try the loop over the block.
|
|
for (auto& g : View) {
|
|
g[0] = 20;
|
|
}
|
|
for (auto& g : B1) {
|
|
g[0] = 20;
|
|
}
|
|
|
|
// check chaining of clef
|
|
clef::placeholder<0> b_;
|
|
clef::placeholder<1> om_;
|
|
B1[b_][om_] << b_ / (om_ + 2);
|
|
|
|
auto B11 = B1;
|
|
|
|
B1[b_](om_) << B11[b_](om_) * B1[b_](om_) * B11[b_](om_);
|
|
|
|
// does not work
|
|
// std::vector<gf<imfreq>> green_v;
|
|
// green_v.emplace_back({beta, Fermion}, {2,2} );
|
|
|
|
// test reinterpretation
|
|
// compile only, add more test here
|
|
auto gs1 = gf<imfreq, scalar_valued>({beta, Fermion});
|
|
auto bgs = make_block_gf<imfreq>(3, gs1);
|
|
auto bg = reinterpret_scalar_valued_gf_as_matrix_valued(bgs);
|
|
}
|
|
TRIQS_CATCH_AND_ABORT;
|
|
}
|