3
0
mirror of https://github.com/triqs/dft_tools synced 2024-12-27 06:43:40 +01:00
Commit Graph

8 Commits

Author SHA1 Message Date
Olivier Parcollet
4af1afbdaf hdf5 : clean up
- For users : only change is :
   H5::H5File in apps. to be replaced by triqs::h5::file, same API.

- using only the C API because :
   - it is cleaner, better documented, more examples.
   - it is the native hdf5 interface.
   - simplify the installation e.g. on mac. Indeed, hdf5 is
     usually installed without C++ interface, which is optional.
     E.g. EPD et al., brew by default.
     Also the infamous mpi+ hdf5_cpp bug, for which we have no clean solution.

- clean the notion of parent of a group. Not needed, better iterate function in C LT API.
- modified doc : no need for C++ bindings any more.
- modified cmake to avoid requiring CPP bindings.
2014-06-22 13:57:47 +02:00
Olivier Parcollet
4789dccda6 parameters : small details
- an include missing on OS X
- change serialization in the general case where hdf5 can be used,
  (version of hdf5 high enough) to use only one buffer,
  not a buffer per field.
- put back the mpi_param example.
2014-05-21 17:51:40 +02:00
Olivier Parcollet
af084f5d59 parameters & wrapper
- 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
2014-05-19 15:19:18 +02:00
Olivier Parcollet
1c9d6dacfa arrays: h5 read/write for arrays of complex types
- array of complex type (not fundamental) can now be saved/loaded to
  h5
- with a test with array<gf<...>>
2014-02-13 21:46:23 +01:00
Olivier Parcollet
928ef222cc [API Change] parameters: required, optional
- now chain the required

- pdef.optional( "B", short(0), " short ")
  .optional( "C", 1u, " unsigned short ")
  .optional( "D", int(2), " int ")
  .optional( "E", 3u, " unsigned int ")
  .optional( "F", long(4), " long ")
2013-10-26 14:34:10 +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
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
f2c7d449cc First commit : triqs libs version 1.0 alpha1
for earlier commits, see TRIQS0.x repository.
2013-07-17 19:24:07 +02:00