3
0
mirror of https://github.com/triqs/dft_tools synced 2024-12-25 13:53:40 +01:00
Commit Graph

51 Commits

Author SHA1 Message Date
Olivier Parcollet
bdac3e159c work on doc for gf, and details.
- 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, ...
2013-12-30 22:32:16 +01:00
Olivier Parcollet
59b969dbd3 arrays: fix mapped_function (conj overload)
- conj overload should return complex, as in standard.
- changed the test output for mapped_function.
- fixed make_matrix_view and example in doc.
2013-12-30 22:32:15 +01:00
Olivier Parcollet
8cc5012347 Fix #42. Conj overload issue
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
2013-12-21 20:07:52 +01:00
Olivier Parcollet
17ab555213 gf: fix matsubara_freq and mesh_pt
- cleaner implementation, solve some bugs...
2013-11-20 15:16:53 +01:00
Olivier Parcollet
e703b1e2b7 port to clang 3.4
- little narrowing details
2013-11-18 23:41:32 +01:00
Olivier Parcollet
d7cf223994 arrays: clean cache, add traits ...
- also add simple c14 helpers ....
2013-11-18 23:41:32 +01:00
Olivier Parcollet
9cdc139214 arrays: add conj function for arrays/matrix and tests
- map conj (and extend it for integers).
2013-11-18 23:41:32 +01:00
Olivier Parcollet
fa6f991473 arrays: clean h5 code
- c++11 cleaning, more doc.
- clean the array_stack and its doc.
2013-11-18 23:41:32 +01:00
Olivier Parcollet
899210ff53 arrays: fix bug in ellipsis when it is of size 0
- 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
2013-11-18 23:41:32 +01:00
Olivier Parcollet
c151e63de2 arrays : rm old array_proxy
- useless old draft
2013-11-18 23:41:32 +01:00
Olivier Parcollet
1d929c1a91 arrays: add rebind const_view from view
- also add some static assert to forbid += and co on const_view
2013-10-22 21:29:27 +02:00
Olivier Parcollet
dcb1386630 arrays const_matrix_tensor_proxy delete = 2013-10-21 21:53:49 +02:00
Olivier Parcollet
445f7d42e1 arrays: clean dead code 2013-10-21 15:12:53 +02:00
Olivier Parcollet
9002c1e456 implement array_const_view 2013-10-21 15:12:53 +02:00
Olivier Parcollet
1517cdaaeb clean the TRIQS_COMPILER macros
- from now on, C++11 compilers only.
- no ressources to maintain old stuff.
2013-10-21 15:12:08 +02:00
Olivier Parcollet
39edb2f846 [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
2013-10-21 15:11:44 +02:00
Olivier Parcollet
588dd6e50a arrays: clean inverse
- does not use view
- determinant not lazy any more
2013-10-17 00:32:09 +02:00
Olivier Parcollet
800aea4c5e remove workaround for icc 13.0
- deprecated....
- remove the TRIQS_WORKAROUND_INTEL_COMPILER_BUGS macro
2013-10-17 00:32:09 +02:00
Olivier Parcollet
4d0bb56790 arrays. Clean expression templates
- clean array, matrix, vector expression template
  they take const & of objects, or move && objects
  no more views. -> C++11 modernisation
- Fix a bug in array resize : it was resetting the indexmap
  to C memory layout e.g. for a fortran array
- Fix a bug in read h5 array when not in C order
  (forgot an else, the array was read twice).
2013-10-17 00:32:09 +02:00
Olivier Parcollet
674797efb3 array: add a contructor for reshaping temporary
- add a constructor from indexmap and storage &&,
- used when reshaping a temp. array.
2013-09-28 22:54:21 +02:00
Olivier Parcollet
33a19227ab arrays: length of domain corrected for && 2013-09-28 14:02:03 +02:00
Olivier Parcollet
b534936589 Fix matrix * alias issue and adapt det_manip
- The previous version of the * operator for matrix was too clever.
It was giving a lazy object and then rewriting C = A *B into gemm (a,A,B,0,C).
The pb was in case of aliasing : when e.g. C = A, or is a part of A.
gemm is not correct that case, and as a result generic code like
a = a *b
may not be correct in matrix case, which is unacceptable.

- So we revert to a simple * operator for matrix
that does immediate computation.
Same thing for matrix* vector

- we also suppress a_x_ty class.

-> for M = a * b,
when M is a matrix, there is no overhead due to move assignment
-> however, when M is a view, there is an additionnal copy.

-Correctness comes first, hence the fix.
However, if one wants more speed and one can guarantee that
there is no aliasing possible, then one has to write a direct gemm call.

-> det_manip class was adapted, since in that case, we can show there
no alias, and we want the speed gain, so the * ops where replaced
by direct blas call (using the array blas interface).

-> also gemm, gemv, ger were overloaded in the case the return
matrix/vector (i.e. last parameter of the function) is not an lvalue,
but a temporary view created on the fly.
2013-09-11 18:49:22 +02:00
Olivier Parcollet
3c2a3c51dc arrays : fix in bug in ref counting in deserialize 2013-09-11 18:39:46 +02:00
Olivier Parcollet
c06e183ae5 arrays : revised version of map & fold
- also cleaned a bit reinterpretview example
2013-09-11 18:39:25 +02:00
Olivier Parcollet
a0eba01769 arrays : clean move constructor of cuboid::map
- remove mess linked to old icc 13 support
and write a clear and readable code.
2013-09-11 18:38:18 +02:00
Olivier Parcollet
4413c6a588 Fix #3
I have no clue why this is a pb, and I can not reproduce it,
but the change is correct and trivial so I merge this pull request.
2013-09-08 16:54:22 +02:00
Olivier Parcollet
2c542647fd clef : new version using lvalues and moving rvalues
- change : all objects are by default
  stored now by reference, not by copy any more.
  Unless the trait force_copy_in_expr is true.
- rvalue refs are moved into the tree
- simplifies a lot the writing of lazy method, objects.
- added a macro for methods
- tests ok. Further check needed to control absence of copies...
- improved documentation
2013-09-08 15:04:12 +02:00
Olivier Parcollet
11081a68b7 Fix #5
- a temp. array in stev had the wrong sign.
2013-09-08 11:58:07 +02:00
Olivier Parcollet
5d0049de7a arrays : minor cosmetics 2013-09-06 16:00:51 +02:00
Olivier Parcollet
7c758ede0d arrays : add cbegin 2013-09-02 21:25:44 +02:00
Olivier Parcollet
9f5d5ceb2d Fix for no python compilation 2013-08-30 20:11:04 +02:00
Olivier Parcollet
5a12b7eeb5 gf : correction for block
- forgot a constructor on the domain
 (was a pb for cthyb_krylov code).
- a few details (better make_gf).
2013-08-30 12:59:46 +02:00
Olivier Parcollet
3b29e9bf9d arrays : renaming concept name
CuboidArray <-> Array
added make_cuboid_domain
2013-08-29 18:06:04 +02:00
Olivier Parcollet
b88f62d50e arrays: details while writing doc
- add factories for matrices
- add make_immutablef from a lambda
- details
2013-08-29 18:05:23 +02:00
Olivier Parcollet
3d6c030b1f arrays : correct deletion of std::swap for views
- forgot the bool flags, in case a weak view is involved.
2013-08-27 13:43:58 +02:00
Olivier Parcollet
f78e6baf9e code cleaning
- TRIQS_MODEL_CONCEPT renamed : clearer for doc
- index_value_type : remove, useless...
2013-08-27 13:43:58 +02:00
Olivier Parcollet
f71ff22ed0 arrays: cleaning cuboid domain
- add one more constructor, clean constructor
- simplify foreach (use simple overload).
2013-08-27 13:43:58 +02:00
Olivier Parcollet
072b45ac1c arrays: Remove dim0, dim1, .shape in various matrix object.
Not in the concept, not needed, just an annoyance.
replaced by free functions :
first_dim(A), second_dim(A), get_shape(A) and so on...
2013-08-27 13:43:58 +02:00
Olivier Parcollet
e241f85a7d arrays: rm debug code matrix_view_proxy_DEBUG.hpp
- used only for speed issue searching...
2013-08-27 13:43:58 +02:00
Olivier Parcollet
c8fcb40164 arrays : rm linalg/determinant and inverse (links)
It is clearer to have only one file :
det_and_inverse.hpp
changed the included in tests.
2013-08-27 13:43:57 +02:00
Olivier Parcollet
017394e17f arrays : add experimental array_const_view
- not completely clear how to
manipulate this alias, in particular when
matching template function
(and portability : require C++11 compiler).
2013-08-27 13:43:57 +02:00
Olivier Parcollet
241d5636d7 arrays: rm tags file and some cleaning
- tags are defined in files, this impl/tags.hpp
was not needed any more.
- some code cleaning
2013-08-27 13:43:57 +02:00
Olivier Parcollet
6fa737978e arrays: remove .len (redundant)
.len -> .shape
with same syntax.
Made a few necessary corrections here and there.
2013-08-27 13:43:57 +02:00
Olivier Parcollet
17a741ad9e arrays: rm has_view_type_tag & add_views
- has_view_type_tag mechanism was replaced by a decltype long ago.
Cleaning since it seems to work on all supported compiler now.

- removed add_views : not used any more.
2013-08-27 13:43:57 +02:00
Olivier Parcollet
41bc8d0338 changing non_view_type to regular_type
- cosmetic : for clarity of the code.
2013-08-27 13:43:57 +02:00
Olivier Parcollet
bc64776de1 arrays: fix a missing include in eigenelements 2013-07-25 15:19:54 +02:00
Olivier Parcollet
157b014ad8 arrays/vector: little correction on = std::vector
- forgot the borrowed flag.
simple consequence of the weak view change.
2013-07-25 15:19:54 +02:00
Olivier Parcollet
f4d42a4ec8 arrays : clean an old example 2013-07-23 08:13:52 +02:00
Olivier Parcollet
552c440238 arrays : add ConstView to fix const correctness
- A()(0) = 1
will not work any more if A is const, as it should be.

- Introduced the notion of const_view, simply done by a flag
(flag 0, for easy debug)
- changed the slice of ISP to use it (only on C++11 compliant compiler)
- Move BoundCheck Flags to 5.
2013-07-23 08:13:52 +02:00
Olivier Parcollet
fc2a620eae arrays: new ref counting and weak views
- improve the mem_block and shared_block.
- the reference counting is now done in the mem_block and shared_block, removing the need of shared_ptr.

- speed tests shows that shared_ptr is very slow (due to thread safety?)
the new version is much better, though not perfect.

- Hence introducing weak views.

- also :
-- clean the guard mechanism for python (to allow returning from python without any python ref left).
-- clean code, add documentation for mem_block
-- remove nan init, which was not working, and corresponding test
-- serialisation of view still unchanged (need to forbid serialization of view ??).

- tests ok, incl. valgrind tests.
2013-07-23 08:13:44 +02:00