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dft_tools/triqs/gfs/meshes/product.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_MESH_PRODUCT_H
#define TRIQS_GF_MESH_PRODUCT_H
#include "./mesh_tools.hpp"
#include "../domains/product.hpp"
#include <triqs/utility/tuple_tools.hpp>
#include <triqs/utility/mini_vector.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 <triqs/utility/c14.hpp>
namespace triqs { namespace gfs {
template<typename... Meshes> struct mesh_product : tag::composite {
typedef domain_product<typename Meshes::domain_t ... > domain_t;
[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
typedef std::c14::tuple<typename Meshes::index_t ... > index_t;
typedef std::tuple<Meshes...> m_tuple_t;
typedef std::tuple<typename Meshes::mesh_point_t ...> m_pt_tuple_t;
typedef typename domain_t::point_t domain_pt_t;
static constexpr int dim = sizeof...(Meshes);
mesh_product () {}
mesh_product (Meshes const & ... meshes) : m_tuple(meshes...), _dom(meshes.domain()...) {}
domain_t const & domain() const { return _dom;}
m_tuple_t const & components() const { return m_tuple;}
m_tuple_t & components() { return m_tuple;}
/// size of the mesh is the product of size
struct _aux0 { template<typename M> size_t operator()(M const & m, size_t R) { return R*m.size();}};
size_t size() const { return triqs::tuple::fold(_aux0(), m_tuple, 1);}
/// Conversions point <-> index <-> linear_index
struct _aux1 { template<typename P, typename M, typename I> void operator()(P & p, M const & m, I const& i) {p = m.index_to_point(i);}};
typename domain_t::point_t index_to_point(index_t const & ind) const { domain_pt_t res; triqs::tuple::apply_on_zip(_aux1(), res,m_tuple,ind); return res;}
// index[0] + component[0].size * (index[1] + component[1].size* (index[2] + ....))
struct _aux2 { template<typename I, typename M> size_t operator()(M const & m, I const & i,size_t R) {return m.index_to_linear(i) + R * m.size();}};
[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
size_t index_to_linear(index_t const & ii) const { return triqs::tuple::fold_on_zip(_aux2(), reverse(m_tuple), reverse(ii), size_t(0)); }
2013-10-06 22:10:42 +02:00
// size_t index_to_linear(index_t const & ii) const { return triqs::tuple::fold_on_zip([](auto const &m, auto const &i, auto R){return m.index_to_linear(i) + R * m.size();} , m_tuple, ii, size_t(0)); }
// Same but a tuple of mesh_point_t
struct _aux3 { template<typename P, typename M> size_t operator()(M const & m, P const & p,size_t R) {return p.linear_index() + R * m.size();}};
[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
size_t mp_to_linear(m_pt_tuple_t const & mp) const { return triqs::tuple::fold_on_zip(_aux3(), reverse(m_tuple), reverse(mp), size_t(0)); }
//
struct _aux4 { template< typename M, typename V> V * operator()(M const & m, V * v) {*v = m.size(); return ++v;}};
utility::mini_vector<size_t,dim> all_size_as_mini_vector () const {
utility::mini_vector<size_t,dim> res;
triqs::tuple::fold(_aux4(), m_tuple, &res[0] );
return res;
}
// Same but a variadic list of mesh_point_t
template<typename ... MP> size_t mesh_pt_components_to_linear(MP const & ... mp) const {
static_assert(std::is_same< std::tuple<MP...>, m_pt_tuple_t>::value, "Call incorrect ");
//static_assert(std::is_same< std::tuple<typename std::remove_cv<typename std::remove_reference<MP>::type>::type...>, m_pt_tuple_t>::value, "Call incorrect ");
return mp_to_linear(std::forward_as_tuple(mp...));
} // speed test ? or make a variadic fold...
/// The wrapper for the mesh point
class mesh_point_t : tag::mesh_point{
const mesh_product * m;
m_pt_tuple_t _c; bool _atend;
struct F2 { template<typename M> typename M::mesh_point_t operator()(M const & m, typename M::index_t const & i) const { return m[i];}};
struct F1 { template<typename M> typename M::mesh_point_t operator()(M const & m) const { return m[typename M::index_t()];}};
public :
mesh_point_t() = default;
mesh_point_t(mesh_product const & m_, index_t index_ ) : m(&m_), _c (triqs::tuple::apply_on_zip(F2(), m_.m_tuple, index_)), _atend(false) {}
mesh_point_t(mesh_product const & m_) : m(&m_), _c (triqs::tuple::apply(F1(), m_.m_tuple)), _atend(false) {}
m_pt_tuple_t const & components_tuple() const { return _c;}
size_t linear_index() const { return m->mp_to_linear(_c);}
const mesh_product * mesh() const { return m;}
typedef domain_pt_t cast_t;
operator cast_t() const { return m->index_to_point(index);}
// index[0] +=1; if index[0]==m.component[0].size() { index[0]=0; index[1] +=1; if ....} and so on until dim
struct _aux1 { template<typename P> bool operator()(P & p, bool done)
{if (done) return true; p.advance(); if (p.at_end()) {p.reset(); return false;} return true;}
};
void advance() { triqs::tuple::fold(_aux1(), _c, false);}
//index_t index() const { return _index;} // not implemented yet
bool at_end() const { return _atend;}
struct _aux{ template<typename M> size_t operator()(M & m,size_t ) { m.reset(); return 0;}};
void reset() { _atend = false; triqs::tuple::fold(_aux(), _c,0);}
};// end mesh_point_t
/// Accessing a point of the mesh
mesh_point_t operator[](index_t i) const { return mesh_point_t(*this, i);}
mesh_point_t operator()(typename Meshes::index_t ... i) const { return (*this)[std::make_tuple(i...)];}
/// Iterating on all the points...
typedef mesh_pt_generator<mesh_product> const_iterator;
const_iterator begin() const { return const_iterator (this);}
const_iterator end() const { return const_iterator (this, true);}
const_iterator cbegin() const { return const_iterator (this);}
const_iterator cend() const { return const_iterator (this, true);}
/// Mesh comparison
friend bool operator == (mesh_product const & M1, mesh_product const & M2) { return M1.m_tuple==M2.m_tuple; }
/// Write into HDF5
struct _auxh5w {
h5::group gr; _auxh5w( h5::group gr_) : gr(gr_) {} //icc has yet another bug on new initialization form with {}...
template<typename M> size_t operator()(M const & m, size_t N) { std::stringstream fs;fs <<"MeshComponent"<< N; h5_write(gr,fs.str(), m); return N+1; }
};
friend void h5_write (h5::group fg, std::string subgroup_name, mesh_product const & m) {
h5::group gr = fg.create_group(subgroup_name);
//h5_write(gr,"domain",m.domain());
triqs::tuple::fold(_auxh5w(gr), m.components(), size_t(0));
}
/// Read from HDF5
struct _auxh5r {
h5::group gr;_auxh5r( h5::group gr_) : gr(gr_) {}
template<typename M> size_t operator()(M & m, size_t N) { std::stringstream fs;fs <<"MeshComponent"<< N; h5_read(gr,fs.str(), m); return N+1; }
};
friend void h5_read (h5::group fg, std::string subgroup_name, mesh_product & m){
h5::group gr = fg.open_group(subgroup_name);
//h5_read(gr,"domain",m._dom);
triqs::tuple::fold(_auxh5r(gr), m.components(), size_t(0));
}
// BOOST Serialization
friend class boost::serialization::access;
template<typename Archive> struct _aux_ser {
Archive & ar;_aux_ser( Archive & ar_) : ar(ar_) {}
template<typename M> size_t operator()(M & m, size_t N) {
std::stringstream fs;fs <<"MeshComponent"<< N;
ar & boost::serialization::make_nvp(fs.str().c_str(),m);
return N+1;
}
};
template<class Archive>
void serialize(Archive & ar, const unsigned int version) {
triqs::tuple::fold(_aux_ser<Archive>(ar), m_tuple, size_t(0));
}
[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
friend std::ostream &operator <<(std::ostream &sout, mesh_product const & m){return sout << "Product Mesh"; }
private:
m_tuple_t m_tuple;
domain_t _dom;
};
template<int pos, typename P>
auto get_index(P const & p) DECL_AND_RETURN( std::get<pos>(p.components_tuple()).index());
template<int pos, typename P>
auto get_point(P const & p) DECL_AND_RETURN( std::get<pos>( p.mesh()->components() ).index_to_point( std::get<pos>(p.components_tuple()).index() ) );
2013-07-22 13:40:07 +02:00
template<int pos, typename P>
auto get_component(P const & p) DECL_AND_RETURN( std::get<pos>(p.components_tuple()));
// Given a composite mesh m , and a linear array of storage A
// reinterpret_linear_array(m,A) returns a d-dimensionnal view of the array
// with indices egal to the indices of the components of the mesh.
// Very useful for slicing, currying functions.
2013-10-18 13:39:00 +02:00
template<typename ... Meshes, typename T, ull_t OptionsFlags, ull_t To, int R , bool B, bool C>
arrays::array_view<T, sizeof...(Meshes)+ R-1,OptionsFlags,To,true,C>
reinterpret_linear_array(mesh_product<Meshes...> const & m, arrays::array_view<T,R,OptionsFlags,To,B,C> A) {
[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
return { {join (m.all_size_as_mini_vector(), get_shape(A).front_pop())}, A.storage()};
}
}}
#endif