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dft_tools/triqs/gfs/domains/matsubara.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/>.
*
******************************************************************************/
#ifndef TRIQS_GF_DOMAIN_MATSUBARA_H
#define TRIQS_GF_DOMAIN_MATSUBARA_H
#include "../tools.hpp"
namespace triqs { namespace gfs {
/// The domain
template<bool IsComplex>
struct matsubara_domain {
typedef typename mpl::if_c<IsComplex, std::complex<double>, double>::type point_t;
double beta;
statistic_enum statistic;
matsubara_domain (double Beta=1, statistic_enum s = Fermion): beta(Beta), statistic(s){
if(beta<0)TRIQS_RUNTIME_ERROR<<"Matsubara domain construction : beta <0 : beta ="<< beta <<"\n";
}
[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
matsubara_domain(matsubara_domain const &) = default;
matsubara_domain(matsubara_domain<!IsComplex> const &x): beta(x.beta), statistic(x.statistic) {}
bool operator == (matsubara_domain const & D) const { return ((std::abs(beta - D.beta)<1.e-15) && (statistic == D.statistic));}
/// Write into HDF5
friend void h5_write (h5::group fg, std::string subgroup_name, matsubara_domain const & d) {
h5::group gr = fg.create_group(subgroup_name);
h5_write(gr,"beta",d.beta);
h5_write(gr,"statistic",(d.statistic==Fermion ? "F" : "B"));
}
/// Read from HDF5
friend void h5_read (h5::group fg, std::string subgroup_name, matsubara_domain & d){
h5::group gr = fg.open_group(subgroup_name);
double beta; std::string statistic;
h5_read(gr,"beta",beta);
h5_read(gr,"statistic",statistic);
d = matsubara_domain(beta,(statistic=="F" ? Fermion : Boson));
}
// BOOST Serialization
friend class boost::serialization::access;
template<class Archive>
void serialize(Archive & ar, const unsigned int version) {
ar & boost::serialization::make_nvp("beta",beta);
ar & boost::serialization::make_nvp("statistic",statistic);
}
};
}}
#endif