mirror of
https://github.com/triqs/dft_tools
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39edb2f846
- 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
149 lines
7.7 KiB
C++
149 lines
7.7 KiB
C++
/*******************************************************************************
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*
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* TRIQS: a Toolbox for Research in Interacting Quantum Systems
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*
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* Copyright (C) 2012 by M. Ferrero, O. Parcollet
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*
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* TRIQS is free software: you can redistribute it and/or modify it under the
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* terms of the GNU General Public License as published by the Free Software
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* Foundation, either version 3 of the License, or (at your option) any later
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* version.
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*
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* TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
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* WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
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* FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
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* details.
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*
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* You should have received a copy of the GNU General Public License along with
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* TRIQS. If not, see <http://www.gnu.org/licenses/>.
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*
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******************************************************************************/
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#ifndef TRIQS_GF_EXPR_H
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#define TRIQS_GF_EXPR_H
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#include <triqs/utility/expression_template_tools.hpp>
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namespace triqs { namespace gfs {
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using utility::is_in_ZRC;
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using utility::remove_rvalue_ref;
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namespace gfs_expr_tools {
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// a wrapper for scalars
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template<typename S> struct scalar_wrap {
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typedef void variable_t;
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typedef void target_t;
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typedef void option_t;
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S s;
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template<typename T> scalar_wrap(T && x):s(std::forward<T>(x)){}
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S singularity() const { return s;}
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template<typename KeyType> S operator[](KeyType && key) const { return s;}
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template<typename ... Args> inline S operator()(Args && ... args) const { return s;}
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friend std::ostream &operator <<(std::ostream &sout, scalar_wrap const &expr){return sout << expr.s; }
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};
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// Combine the two meshes of LHS and RHS : need to specialize where there is a scalar
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struct combine_mesh {
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template<typename L, typename R>
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auto operator() (L && l, R && r) const -> decltype(std::forward<L>(l).mesh()) {
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if (!(l.mesh() == r.mesh())) TRIQS_RUNTIME_ERROR << "Mesh mismatch : in Green Function Expression "<< l.mesh()<<" vs" <<r.mesh();
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return std::forward<L>(l).mesh();
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}
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template<typename S, typename R> auto operator() (scalar_wrap<S> const &, R && r) const DECL_AND_RETURN(std::forward<R>(r).mesh());
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template<typename S, typename L> auto operator() (L && l, scalar_wrap<S> const &) const DECL_AND_RETURN(std::forward<L>(l).mesh());
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};
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// Same thing to get the data shape
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// NB : could be unified to one combine<F>, where F is a functor, but an easy usage requires polymorphic lambda ...
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struct combine_shape {
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template<typename L, typename R>
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auto operator() (L && l, R && r) const -> decltype(get_gf_data_shape(std::forward<L>(l))) {
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if (!(get_gf_data_shape(l) == get_gf_data_shape(r)))
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TRIQS_RUNTIME_ERROR << "Shape mismatch in Green Function Expression: " << get_gf_data_shape(l) << " vs "<< get_gf_data_shape(r);
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return get_gf_data_shape(std::forward<L>(l));
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}
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template<typename S, typename R> auto operator() (scalar_wrap<S> const &, R && r) const DECL_AND_RETURN(get_gf_data_shape(std::forward<R>(r)));
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template<typename S, typename L> auto operator() (L && l, scalar_wrap<S> const &) const DECL_AND_RETURN(get_gf_data_shape(std::forward<L>(l)));
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};
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template<typename T> struct node_t : std::conditional<utility::is_in_ZRC<T>::value, scalar_wrap<T>, typename remove_rvalue_ref<T>::type> {};
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template <typename A, typename B> struct _or_ {typedef void type;};
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template <typename A> struct _or_<A,A> {typedef A type;};
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template <typename A> struct _or_<void,A> {typedef A type;};
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template <typename A> struct _or_<A,void> {typedef A type;};
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template <> struct _or_<void,void> {typedef void type;};
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}// gfs_expr_tools
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template<typename Tag, typename L, typename R> struct gf_expr : TRIQS_CONCEPT_TAG_NAME(ImmutableGreenFunction){
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typedef typename std::remove_reference<L>::type L_t;
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typedef typename std::remove_reference<R>::type R_t;
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typedef typename gfs_expr_tools::_or_<typename L_t::variable_t,typename R_t::variable_t>::type variable_t;
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typedef typename gfs_expr_tools::_or_<typename L_t::target_t,typename R_t::target_t>::type target_t;
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typedef typename gfs_expr_tools::_or_<typename L_t::option_t,typename R_t::option_t>::type option_t;
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static_assert(!std::is_same<variable_t,void>::value, "Can not combine two gf expressions with different variables");
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static_assert(!std::is_same<target_t,void>::value, "Can not combine two gf expressions with different target");
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L l; R r;
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template<typename LL, typename RR> gf_expr(LL && l_, RR && r_):l(std::forward<LL>(l_)), r(std::forward<RR>(r_)) {}
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auto mesh() const DECL_AND_RETURN(gfs_expr_tools::combine_mesh()(l,r));
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auto singularity() const DECL_AND_RETURN (utility::operation<Tag>()(l.singularity() , r.singularity()));
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auto get_data_shape() const DECL_AND_RETURN (gfs_expr_tools::combine_shape()(l,r));
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template<typename KeyType> auto operator[](KeyType && key) const DECL_AND_RETURN(utility::operation<Tag>()(l[std::forward<KeyType>(key)] , r[std::forward<KeyType>(key)]));
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template<typename ... Args> auto operator()(Args && ... args) const DECL_AND_RETURN(utility::operation<Tag>()(l(std::forward<Args>(args)...) , r(std::forward<Args>(args)...)));
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friend std::ostream &operator <<(std::ostream &sout, gf_expr const &expr){return sout << "("<<expr.l << " "<<utility::operation<Tag>::name << " "<<expr.r<<")" ; }
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};
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// -------------------------------------------------------------------
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//a special case : the unary operator !
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template<typename L> struct gf_unary_m_expr : TRIQS_CONCEPT_TAG_NAME(ImmutableGreenFunction){
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typedef typename std::remove_reference<L>::type L_t;
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typedef typename L_t::variable_t variable_t;
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typedef typename L_t::target_t target_t;
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typedef typename L_t::option_t option_t;
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L l;
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template<typename LL> gf_unary_m_expr(LL && l_) : l(std::forward<LL>(l_)) {}
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auto mesh() const DECL_AND_RETURN(l.mesh());
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auto singularity() const DECL_AND_RETURN(l.singularity());
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auto get_data_shape() const DECL_AND_RETURN (get_data_shape(l));
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template<typename KeyType> auto operator[](KeyType&& key) const DECL_AND_RETURN( -l[key]);
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template<typename ... Args> auto operator()(Args && ... args) const DECL_AND_RETURN( -l(std::forward<Args>(args)...));
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friend std::ostream &operator <<(std::ostream &sout, gf_unary_m_expr const &expr){return sout << '-'<<expr.l; }
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};
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// -------------------------------------------------------------------
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// Now we can define all the C++ operators ...
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#define DEFINE_OPERATOR(TAG, OP, TRAIT1, TRAIT2) \
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template<typename A1, typename A2>\
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typename std::enable_if<TRAIT1<A1>::value && TRAIT2 <A2>::value, \
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gf_expr<utility::tags::TAG, typename gfs_expr_tools::node_t<A1>::type, typename gfs_expr_tools::node_t<A2>::type>>::type\
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operator OP (A1 && a1, A2 && a2) { return {std::forward<A1>(a1),std::forward<A2>(a2)};}
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DEFINE_OPERATOR(plus, +, ImmutableGreenFunction,ImmutableGreenFunction);
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DEFINE_OPERATOR(minus, -, ImmutableGreenFunction,ImmutableGreenFunction);
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DEFINE_OPERATOR(multiplies, *, ImmutableGreenFunction,ImmutableGreenFunction);
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DEFINE_OPERATOR(multiplies, *, is_in_ZRC,ImmutableGreenFunction);
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DEFINE_OPERATOR(multiplies, *, ImmutableGreenFunction,is_in_ZRC);
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DEFINE_OPERATOR(divides, /, ImmutableGreenFunction,ImmutableGreenFunction);
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DEFINE_OPERATOR(divides, /, is_in_ZRC,ImmutableGreenFunction);
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DEFINE_OPERATOR(divides, /, ImmutableGreenFunction,is_in_ZRC);
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#undef DEFINE_OPERATOR
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// the unary is special
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template<typename A1>
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typename std::enable_if<
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ImmutableGreenFunction<A1>::value,
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gf_unary_m_expr<typename gfs_expr_tools::node_t<A1>::type >
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>::type
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operator - (A1 && a1) { return {std::forward<A1>(a1)};}
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}}//namespace triqs::gf
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#endif
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