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dft_tools
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11 Commits

Author SHA1 Message Date
Nils Wentzell 3807534ef8 Fix in dos_tetra_weights_3d: return array<..> instead of array_view<..> 
-In triqs version 2.2 array_views no longer own the memory they point to
 This means that array variables that are local to a function should always
 be returned as arrray and never as an array_view
 2019-07-02 10:49:35 -04:00
Olivier Parcollet 1a0ba43f8d Continued 2018-01-22 17:37:27 -05:00
Olivier Parcollet ae548d48da WIP 2017-12-07 15:56:05 +01:00
Olivier Parcollet d25bd40560 [plotvasp] Fix #74 compilation error on clang 
- fabs for complex ? It is not defined.
- replaced by std::abs.
- How could the code compile before ?
 2017-04-05 21:01:12 +02:00
Oleg E. Peil e24933d3fe Removed obsolete files 2017-02-07 09:47:28 +01:00
Oleg E. Peil 5dded633b8 Fixed CMake scripts to properly add a c++ library 
First of all, 'c++/plovasp/atm' was erroneously removed after
the last merge with the upstream branch.
Now, the whole subdirectory 'c++' is added.
Also, C++ flags are properly imported from the TRIQS configuration.
 2016-03-24 11:40:12 +01:00
Oleg E. Peil ea87d5bf11 Fixed module and library paths 
In version 1.4 all python applications moved from the root python
library to `pytriqs/` subdirectory.
 2016-03-11 12:14:31 +01:00
Oleg E. Peil 9acdc5a8f8 Added install command for 'atm_c' target 2016-03-11 10:00:41 +01:00
Oleg E. Peil 88dc1eeb78 Added a simple C-test of the ATM library 
The tests are build to be executed by CMake test functionality.
 2016-03-09 18:56:59 +01:00
Oleg E. Peil 911f127789 Ported C-style 'dos_tetra' to C++ 
In order to wrap the ATM routines by Python using TRIQS wrapping
tools it is necessary to modify the interface to 'dos_tetra3d'.
The major changes involved replacing direct NumPy arrays with
TRIQS arrays which can be converted to Python arrays using library
tools.

Also, some small changes were necessary to port the functions
from C99 complex numbers to C++ style.

CMakeList is added to automatize building of the ATM library.
 2016-03-09 18:55:15 +01:00
Oleg E. Peil 9ee9083249 Rename directory 'c' to 'c++' 
In order to use c++2py tools the C-code must be rewritten to C++.
In particular, instead of direct creation of Numpy arrays STL
containers must be used.
 2016-02-11 14:56:28 +01:00