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Commit Graph

99 Commits

Author SHA1 Message Date
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
Laura Messio
7693077b79 gf: Fix out of bound in linear mesh in gf eval.
- When reaching the last point of the grid,
move one step back and set w =1.
- fix the gf_2times but and related issues.
2013-10-21 15:11:44 +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
a4305f8f2a utility : correct a compile macro
- _j notation was not compiled...
2013-10-21 15:11:42 +02:00
Olivier Parcollet
b9451e7018 clef : code cleaning
- remove a useless opertor(...)
2013-10-18 21:54:38 +02:00
Olivier Parcollet
a5938a8d9e Fix arithmetic of mesh_points in gf
- the arithmetics of the gf mesh_points :
the forwarding of the second argument was missing,
leading to subtle bugs e.g. in  (in matrix case) :

  deltaw(iom_) << iom_ * gw.singularity()(-1) + gw.singularity()(0) - gw(iom_);

because the partial evaluation of the expression introduced a dangling const matrix_view &
instead of moving the temporary matrix_view into the final matrix expression template.
2013-10-18 21:52:57 +02:00
Olivier Parcollet
7419b1a68e Fix #20 2013-10-18 13:55:04 +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
59288e597f clef. Clean evaluator when producing temporaries...
- When evaluation produces temporaries in intermediate
steps, they were capture by ref, not properly forwarded.
This results in bugs in more complex cases,
like evaluation of objects returning new arrays expression template.
(preparation for next commit).
2013-10-17 00:32:08 +02:00
Olivier Parcollet
437c6e3a70 Fix #21
- change has_h5_read implementation, with a simpler pointer cast
  that gcc now accepts.
2013-10-17 00:32:08 +02:00
Michel Ferrero
3de5c682f6 Add TRIQS_CATCH_AND_ABORT macro
modified:   triqs/utility/macros.hpp
2013-10-17 00:32:08 +02:00
Michel Ferrero
f4444f3b49 Revert a wrong fix in expression template for gf
This reverts the part of the commit 1906dc30a5
which introduced modifications in the expr templates of the Green's
functions. The commit had introduced some bugs and this revert
removes them (the expr templates will be taken care of fully in later
commits). This is a temporary fix for issues #18 and #25.

  reverted:   triqs/gfs/data_proxies.hpp
  reverted:   triqs/gfs/gf.hpp
  reverted:   triqs/gfs/gf_expr.hpp
2013-10-17 00:28:51 +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
6f7deca96a tuple tools : add reverse for a tuple...
- add in std:: the reverse to be able to apply the algorithms on a
  reversed tuple
- overloaded std::get, std::tuple_size for this
- added tests.
2013-09-28 22:54:21 +02:00
Olivier Parcollet
e8af74a030 h5: add a parent in group
- add a parent in the group, to allow iteration on group
elements
- normally in h5, one needs to have the parent group and the name
of the group to iterate on its elements.
- added a parent (possibly empty) to get a simply syntax to
get the element of a group...
2013-09-28 16:11:46 +02:00
Olivier Parcollet
33a19227ab arrays: length of domain corrected for && 2013-09-28 14:02:03 +02:00
Michel Ferrero
007b88f2cd Fix small uninitialized problem in mc_tools
modified:   triqs/mc_tools/mc_generic.hpp
2013-09-28 14:01:52 +02:00
Olivier Parcollet
1906dc30a5 Fix expression template for gf & std::vector
- add move semantics in expression template.

for gfs :
- rm descriptor
- Remove data from expr, rewrote assignment
  which now iterates on the mesh, simply.
  RHS models now FunctionOnMesh
- This fix the multiplication bug of gf
- Remove assign_no_resize/assign_with_resize from proxy
2013-09-22 18:17:40 +02:00
Michel Ferrero
28140f14fb Work on documentation
Mainly on the python part. I had a quick browse through to check if
the scripts were still working.
2013-09-17 14:55:55 +02:00
Michel Ferrero
84df58aad7 Fix upper bound problem in tails
There was a mistake in the computation of omax in the tail multiplication.

  modified:   triqs/gfs/local/functions.cpp
  modified:   triqs/gfs/local/tail.hpp
2013-09-13 12:16:04 +02:00
Olivier Parcollet
2cca9584b9 mpi: first draft for #12
- a thin layer, using a bit boost::mpi (for the communicator mostly ...)
  along the lines discussed in #12.
- implemented reduce, allreduce, bcast for arrays, simple scalars,
and any custom type that support boost serialization.
- Custom types :  the operations are done recursively on members.
  No change is needed in the class to use this mpi routine, as long as
  serialize function is defined.
- For arrays of basic types (int, double...), a direct call to MPI C API, which works also for views
  (as long as they are contiguous).
- For arrays of more complex types, we revert to boost::mpi.
- Added a simple test.
- Work still in progress :
   - missing a simple scatter/gather for the arrays
   - need more tests & API thinking.
   - dispatch array code to array lib
   - reduce is "sum" only, but do we need more.
2013-09-13 09:20:21 +02:00
Michel Ferrero
f0dfabff38 Change tail implementation with fixed array size
Now the tail have a fixed size. It actually makes everything simpler. I took
order_min = -1 and order_max = 8. This makes the tails compatible with the
previous implementation. However we might want to change this to something like
-10, 10 so that they are self-contained. This commit should also fix issue #11.
2013-09-12 15:21:56 +02:00
Olivier Parcollet
d4c96a9d93 gf: minor correction for 2 times, etc...
-> are going to be replaced soon anyway ...
2013-09-11 20:48:03 +02:00
Olivier Parcollet
0586c77307 add c14 details in std::c14
- to use already a few c14 convenience details :

-> polymorphic std::plus, e.g.
   boost::mpi::reduce (world, A,C, std::c14::plus<>(),0);
this plus determine the type by itself ...
  -> errors on the type can be very cryptic on the gf.

-> add std::c14::make_unique
(equivalent of make_shared for unique_ptr).
2013-09-11 20:22:38 +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
e0f58aeb62 gf : clean product mesh
- reinterpret array is much simple.
clean old code after check on various compilers
2013-09-11 18:38:18 +02:00
Laura Messio
29a6a9f5df gf : cleaning the imtime evaluator 2013-09-09 15:41:46 +02:00
Laura Messio
257bdb9d6a Work on gf
gf: security in the case beta<0 added in the mesh construction
gf: inline added in slice
test/triqs/gf: test of on_mesh() added
gfs: scalar for two-real_times
test/triqs/gf/ renamed in gfs, test gf_retw.cpp completed
gfs: evaluator homogeneised
two_times: evaluator corrected
test/triqs/gf/ renamed in gfs, test gf_retw.cpp completed

+ Correction after rebase

Fix a test : gf_re_im_freq_time
There is an issue with the last point.
To be fixed.
2013-09-09 15:41:46 +02:00
Laura Messio
a39e41e9fd det_manip: try_insert_from_function(i,j,fx,fy,ksi) 2013-09-09 15:41:46 +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
1dd2d9e691 correction after compiling on linux gcc 4.8.1/ clang 3.3
- clef : lazy_method is broken . remove it from the test for the moment.
2013-09-08 15:35:57 +02:00
Olivier Parcollet
4bbcbe35ef gcc 4.6: correction
- removing some test & tuple_tool which fail on old 4.6
For Ubuntu 12.04 compat.
2013-09-08 15:17:18 +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
1313566669 utility: simplify a bit tuple::apply 2013-09-06 21:23:55 +02:00
Olivier Parcollet
9790fe8bd0 Work on gf
- clean curry.
- start testing.
2013-09-06 16:00:51 +02:00
Olivier Parcollet
5d0049de7a arrays : minor cosmetics 2013-09-06 16:00:51 +02:00
Michel Ferrero
eaad5fa41d Change MC parameter names
modified:   triqs/mc_tools/mc_generic.hpp
2013-09-05 17:54:49 +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
bb7394dfaf gf : correction to legendre.
a error in a trait.
2013-08-30 16:08:40 +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
Michel Ferrero
9c258fa7e1 Add tools to be able to find version and release
I added a version.hpp and updated the version.py so that
one can find the version of the library either from the
c++ or the python (if there is python support).

  modified:   CMakeLists.txt
  modified:   cmake/TRIQSConfig.cmake.in
  modified:   pytriqs/version.py.in
  modified:   triqs/CMakeLists.txt
  new file:   triqs/version.hpp.in
2013-08-29 11:41:19 +02:00