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.
- a(1,ellipsis()) for a an array<T,1> e.g.,
was not compiling.
- also added const_iterator for range to allow simple code :
for (auto i : range {3,6}) ....-> i = 3,4,5 as in python
