mirror of
https://github.com/triqs/dft_tools
synced 2024-12-26 14:23:38 +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.
110 lines
2.9 KiB
C++
110 lines
2.9 KiB
C++
/*******************************************************************************
|
|
*
|
|
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
|
*
|
|
* Copyright (C) 2011 by O. Parcollet
|
|
*
|
|
* TRIQS is free software: you can redistribute it and/or modify it under the
|
|
* terms of the GNU General Public License as published by the Free Software
|
|
* Foundation, either version 3 of the License, or (at your option) any later
|
|
* version.
|
|
*
|
|
* TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
|
|
* WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
|
|
* FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
|
|
* details.
|
|
*
|
|
* You should have received a copy of the GNU General Public License along with
|
|
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
|
*
|
|
******************************************************************************/
|
|
#include "./common.hpp"
|
|
#include <triqs/arrays/array.hpp>
|
|
#include <iostream>
|
|
#include <triqs/arrays/h5/simple_read_write.hpp>
|
|
|
|
using std::cout; using std::endl;
|
|
namespace tqa = triqs::arrays;
|
|
namespace h5 = triqs::h5;
|
|
using tqa::range;
|
|
|
|
template <typename T>
|
|
std::ostream & operator << (std::ostream & out, std::vector<T> const & v) {
|
|
for (size_t i =0; i<v.size(); ++i) out<< v[i];
|
|
return out;
|
|
}
|
|
|
|
int main(int argc, char **argv) {
|
|
|
|
|
|
|
|
try {
|
|
|
|
tqa::array<long,2> A (2,3),B,vc;
|
|
tqa::array<double,2> D (2,3), D2;
|
|
|
|
tqa::array<long,2> Af(FORTRAN_LAYOUT),Bf(FORTRAN_LAYOUT),vf(FORTRAN_LAYOUT);
|
|
|
|
tqa::array<std::complex<double>,1> C(5), C2;
|
|
std::complex<double> z(1,2);
|
|
|
|
for (int i =0; i<5; ++i) {
|
|
C(i) = std::complex<double>(i,i);
|
|
}
|
|
|
|
for (int i =0; i<2; ++i)
|
|
for (int j=0; j<3; ++j)
|
|
{
|
|
A(i,j) = 10*i+ j;
|
|
D (i,j) = A(i,j) / 10.0;
|
|
}
|
|
|
|
Af = A;
|
|
|
|
std::cout<<" A= "<<A<<std::endl;
|
|
std::cout<<" D= "<<D<<std::endl;
|
|
std::cout<<" C= "<<C<<std::endl;
|
|
std::cout<<" Arange(0,1),range(1,3) = "<< A(range(),range(1,3))<<std::endl;
|
|
|
|
h5::file file( "ess.h5", H5F_ACC_TRUNC );
|
|
h5::group top(file);
|
|
|
|
h5_write(top,"A",A);
|
|
h5_write(top,"Af",Af);
|
|
h5_write(top,"C",C);
|
|
h5_write(top,"D",D);
|
|
h5_write(top,"S","");
|
|
|
|
// testing scalar
|
|
double x=2.3;
|
|
h5_write(top, "x",x);
|
|
|
|
h5_write(top, "s", std::string("a nice chain"));
|
|
top.create_group("G");
|
|
h5_write(top,"G/A",A);
|
|
|
|
auto G = top.open_group("G");
|
|
h5_write(G, "A2",A);
|
|
|
|
h5_read (top, "A",B); std::cout<< "B = "<< B<<std::endl;
|
|
h5_read (top, "Af",Bf); std::cout<< "Bf = "<< Bf<<std::endl;
|
|
h5_read (top, "D",D2); std::cout<< "D = "<< D2<<std::endl;
|
|
h5_read (top, "C",C2); std::cout<< "C = "<< C2<<std::endl;
|
|
|
|
double xx =0; h5_read(top, "x",xx); TEST(xx);
|
|
|
|
std::string s2 ("----------------------------------");
|
|
h5_read(top, "s", s2);
|
|
TEST(s2);
|
|
|
|
//tqa::array<long,1> E; h5_read (top, "A",E); std::cout<< "E = "<< E<<std::endl;
|
|
|
|
}
|
|
catch(std::exception const& err) { std::cout<<err.what()<<std::endl;}
|
|
catch( const char * err) { std::cout<<err<<std::endl;}
|
|
|
|
return 0;
|
|
}
|
|
|
|
|