- new parameter class :
parameters are viewed as form, built in C++, and filled in C++/python.
Each field of the form as a precise C++ type (erased using standard techniques).
First tests ok, to be reread/checked.
TODO : serialization is commented. Lead to long compilation time & large code
due to boost::serialization. Use h5 when possible.
- wrapper :
- separated the converters of the wrapped type in the TRIQS library
- necessary for parameters (it used outside an .so) and potentially
other codes, outside an .so module
When constructing the last unit vector in 2D, the sanity check was wrong because of usage of abs instead of std::abs.
Added method energy_on_bz_path_2 that returns the energy *matrix* at each k point on a given path instead of the eigenvalues of this matrix. The name of the function should be changed (to energy_matrix_on_bz_path?)
Renaming energies_on_bz_path_2 to energy_matrix_on_bz_path
- h5/make_h5.... only used in parameters.
- old boost includes before C++11
- remove boost serialization, make macro TRIQS_MAKE_NVP temporarely
- remove boost::is_complex (can be written in 2 lines...)
- move some lib in cpp
- fold was not correct in e.g. passing an int as init instead of a
double (was leading to narrowing in return).
- better return type deduction.
- there was an error in the doc (order of argument in the lambda !)
- add a more complex example (Frobenius norm of matrices).
- when the ratio returned by an attempt of a move is infinite,
previous code was just throwing TRIQS_RUNTIME_ERROR.
- Now when the ratio is infinite, it is replaced by a large number
(>1 is enough for metropolis), and the sign is properly updated
using std::signbit.
- NB :
- a double/float in C++ can be : normal/ zero/ nan/ infinite / subnormal.
Here, the code will recover only from infinite case.
- std::signbit works for infinite (according to standard).
Changed operator()(int, int...) && for array, and views.
- For const_view and regular type, returns value_type (i.e. a copy).
NB : does make a copy, not a move. Ok for scalar type. TODO: think for complicated types.
This allows codes like :
f(x)(0,0) where f : x-> matrix or const_view
to be correct in clef expression evaluation.
- For _view : return a value_type &, as before to allow :
A(....)(0,0) = rhs;
It is not possible to detect dangling refs in that case at compile time.
Added a security in TRIQS_ARRAYS_DEBUG mode to detect a dangling ref at run time,
i.e. the case where the view is "unique" (ref count ==1).
This would be a quite bad design anyway ...
- also :
- clean operator[] for vector (old workaround for old gcc...)
- add IsView flag in ISP impl class, for the impl. of operator() &&
mesh_pt should NOT be done directly by (),
it should be casted to matsubara_freq.
Removed an old line of code which we forgot to clean
when introducing matsubara_freq
A(i_)(om_) << ...
for A an array of gf was not working.
Modified the auto_assign of arrays to handle the case when the object
in the array is itself autoassigned.
Using the model of std::vector adapter for clef, which works.
Also fixed the gf for a little details (gf_impl is usually in the expression tree, not gf).
- bool at_end() for a mesh point means AFTER the last point ,
as end in STL. It was not correct ( +1 missing).
- also the at_end was not computed in the mesh product.
- it slightly changes the test_fit_tail --> just changed the output.
--> did this bug affect other functions/codes ?
- correct previous commit (for scalar gf, the new check was not compiling)
- correct windowing of linear mesh (left point corrected as right point for rounding error
-> code was previously assuming mesh with only positive, fermionic matsubara freqs
-> changed wn_min to n_min (was misleading, since it was an index, not a frequency) / same for <-> max
-> changed doc accordingly
-> Previously, calculation was implicitly assuming a mesh with only positive matsubara frequencies.
-> Added corresponding test
-> Also added test of density calculation with or without correct tail.
- add c14 include
- the C++14 is lot more readable (due to generic lambda).
- for mesh/product.hpp -> now 2 versions (C++14 and C++11 for temporary
backward compatibility).
Pb :
M() = rhs; // rhs of type RHS
Currenlty does :
M(i,j) = (i==j ? rhs : RHS{})
Changed to
M(i,j) = (i==j ? rhs : RHS{0*rhs})
If RHS is a double, int ... Same result.
If RHS is a matrix, gf, currently the offdiag elements
are default constructed (i.e. of 0 size !).
Which can break operations later (matrix<matrix<double>>)
After change : all elements have the same size !
- use alias
- rename a few things, simplify
- some clang format
- add eval to ref wrapper
- correct evaluator general (return const &, no copy)
- correct declaration order of struct and operator OP
- forgot to correct the value_type of matrix_expr, and vector_expr
as was done long ago for arrays...
- also added cases for arrays until dim 10
- TODO : replace this trait in arrays with a tuple tools for any dim..
not urgent.
- for pieces that need to be precomputed for several
measures.
- put them under shared_ptr, and register then with add_measure_aux.
- they must be callable, as void ().
- TODO : add this in the doc when tested
- the condition p%2 ==1 was wrong if p<0 (never true!)
- added corresponding test (gf_notail)
Conflicts:
triqs/gfs/imtime.hpp
Fixed by O.P. : already fixed in Laura's pull request ...
- gf<cartesian_product<imfreq,imfreq>> was not correct
when out bounds. Fixed evaluator.
- tensor_proxy : fix the trait for algebra which was incorrect.
- TODO: clean code (repetition, put in mesh some windowing).
- there was a confusion in gf imfreq, in the new case
where freq can be <0 (non real gf, or for product gf).
- index: is the matsubara n, as in the struct matsubara_freq
index can be >0 or <0
- linear_index : is the shift from the 0. It is always >0.
Fixed function to compute it.
- Also changed the construction of mesh_point in the generic iterator.
Before, was constructed with a mesh point of index 0
Now, added a new constructor on mesh_point_t, just taking the mesh
which construct the *first* mesh_point.
Fixed linear, discrete, product accordingly.
Added to the documentation of the concepts of gf.
- little details : code cleaning, clang formatting, along
with documentation writing for c++ gf.
- separated the mesh in small class for better doc.
- work on documentation : reorganize specialisation, ...
std::conj returns a complex according to std.
On gcc, we need to define it (bug?) but on clang libc++
it is an error.
-> one test is still failing : to be decided later
DRAFT : to be tested further...
- update gf<imfreq>
- write a specific mesh for matsubara frequencies
- now the cast series is :
mesh_pt --> matsubara_freq --> complex<double>
- matsubara_freq is just the matsubara frequency
- arithmetic of the mesh_pt casted to matsubara_freq
- arithmetic of matsubara_freq is casted to complex, except + and -,
which are kept as matsubara_freq.
- evaluator now accept : int, mesh_pt, and matsubara_freq
for matsubara_freq : for negative omega, use conjugation
for omega outside windows, evaluate the tail on omega.
- as a result : g( om - nu) where om, nu are 2 meshes points,
is the extrapolation outside the grid if necessary.
- updated tests
- added evaluation for tail.
