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dft_tools/triqs/gfs/domains/discrete.hpp

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/*******************************************************************************
*
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
*
* Copyright (C) 2012 by M. Ferrero, 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/>.
*
******************************************************************************/
#pragma once
#include "../tools.hpp"
[API change] gf : factories -> constructors - Make more general constructors for the gf. gf( mesh, target_shape_t) - remove the old make_gf for the basic gf. - 2 var non generic gf removed. - clean evaluator - add tensor_valued - add a simple vertex test. - clean specialisation - Fix bug introduced in 1906dc3 - forgot to resize the gf in new version of operator = - Fix make_singularity in gf.hpp - clean resize in operator = - update h5 read/write for block gf - changed a bit the general trait to save *all* the gf. - allows a more general specialization, then a correct for blocks - NOT FINISHED : need to save the block indice for python. How to reread ? Currently it read the blocks names and reconstitute the mesh from it. Is it sufficient ? - clean block constructors - block constructors simplest possible : an int for the number of blocks - rest in free factories. - fixed the generic constructor from GfType for the regular type : only enable iif GfType is ImmutableGreenFunction - multivar. fix linear index in C, and h5 format - linear index now correctly flatten in C mode (was in fortran mode), using a simple reverse of the tuple in the folding. - fix the h5 read write of the multivar fonctions in order to write an array on dimension # variables + dim_target i.e. without flattening the indices of the meshes. Easier for later data analysis, e.g. in Python. - merge matrix/tensor_valued. improve factories - matrix_valued now = tensor_valued<2> (simplifies generic code for h5). - factories_one_var -> factories : this is the generic case ... only a few specialization, code is simpler. - clef expression call with rvalue for *this - generalize matrix_proxy to tensor and clean - clean exception catch in tests - exception catching catch in need in test because the silly OS X does not print anything, just "exception occurred". Very convenient for the developer... - BUT, one MUST add return 1, or the make test will *pass* !! - --> systematically replace the catch by a macro TRIQS_CATCH_AND_ABORT which return a non zero error code. - exception : curry_and_fourier which does not work at this stage (mesh incompatible). - gf: clean draft of gf 2 times - comment the python interface for the moment. - rm useless tests
2013-10-16 23:55:26 +02:00
#include <map>
namespace triqs {
namespace gfs {
class discrete_domain {
int Nmax;
std::vector<std::string> _names; // optional name of the points (e.g. for block)
std::map<std::string, int> _inv_names; // table inverting the previous vector
void init_inv() {
int i = 0;
for (auto const& x : _names) _inv_names[x] = i++;
}
public:
using point_t = int;
int size() const {
return Nmax;
};
discrete_domain(int Nmax_ = 1) : Nmax(Nmax_) {
for (int i = 0; i < Nmax; ++i) {
std::stringstream fs;
fs << i;
_names.push_back(fs.str());
}
[API change] gf : factories -> constructors - Make more general constructors for the gf. gf( mesh, target_shape_t) - remove the old make_gf for the basic gf. - 2 var non generic gf removed. - clean evaluator - add tensor_valued - add a simple vertex test. - clean specialisation - Fix bug introduced in 1906dc3 - forgot to resize the gf in new version of operator = - Fix make_singularity in gf.hpp - clean resize in operator = - update h5 read/write for block gf - changed a bit the general trait to save *all* the gf. - allows a more general specialization, then a correct for blocks - NOT FINISHED : need to save the block indice for python. How to reread ? Currently it read the blocks names and reconstitute the mesh from it. Is it sufficient ? - clean block constructors - block constructors simplest possible : an int for the number of blocks - rest in free factories. - fixed the generic constructor from GfType for the regular type : only enable iif GfType is ImmutableGreenFunction - multivar. fix linear index in C, and h5 format - linear index now correctly flatten in C mode (was in fortran mode), using a simple reverse of the tuple in the folding. - fix the h5 read write of the multivar fonctions in order to write an array on dimension # variables + dim_target i.e. without flattening the indices of the meshes. Easier for later data analysis, e.g. in Python. - merge matrix/tensor_valued. improve factories - matrix_valued now = tensor_valued<2> (simplifies generic code for h5). - factories_one_var -> factories : this is the generic case ... only a few specialization, code is simpler. - clef expression call with rvalue for *this - generalize matrix_proxy to tensor and clean - clean exception catch in tests - exception catching catch in need in test because the silly OS X does not print anything, just "exception occurred". Very convenient for the developer... - BUT, one MUST add return 1, or the make test will *pass* !! - --> systematically replace the catch by a macro TRIQS_CATCH_AND_ABORT which return a non zero error code. - exception : curry_and_fourier which does not work at this stage (mesh incompatible). - gf: clean draft of gf 2 times - comment the python interface for the moment. - rm useless tests
2013-10-16 23:55:26 +02:00
init_inv();
}
discrete_domain(std::vector<std::string> Names) : Nmax(Names.size()), _names(std::move(Names)) { init_inv(); }
discrete_domain(std::initializer_list<std::string> const& Names) : Nmax(Names.size()), _names(Names) { init_inv(); }
std::vector<std::string> const& names() const { return _names; }
int index_from_name(std::string const& s) const { return _inv_names.at(s); }
bool operator==(discrete_domain const& D) const { return (Nmax == D.Nmax); }
/// Write into HDF5
friend void h5_write(h5::group fg, std::string subgroup_name, discrete_domain const& d) {
h5::group gr = fg.create_group(subgroup_name);
h5_write(gr, "n_max", d.Nmax);
// THE NAME ARE MISSING
}
/// Read from HDF5
friend void h5_read(h5::group fg, std::string subgroup_name, discrete_domain& d) {
h5::group gr = fg.open_group(subgroup_name);
int n;
h5_read(gr, "n_max", n);
d = discrete_domain(n);
// NAME ARE MISSING
}
// BOOST Serialization
friend class boost::serialization::access;
template <class Archive> void serialize(Archive& ar, const unsigned int version) {
ar& boost::serialization::make_nvp("n_max", Nmax);
ar& boost::serialization::make_nvp("names", _names);
ar& boost::serialization::make_nvp("names_inv", _inv_names);
}
};
}
}