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mirror of https://github.com/triqs/dft_tools synced 2024-07-11 13:53:47 +02:00
dft_tools/python/triqs_dft_tools/converters/plovasp/atm_desc.py
Alexander Hampel 11d394fd5b synchronize dfttools with app4triqs structure
* moved the plovasp C++ code to c++/triqs_dft_tools/converters/vasp
* added global header triqs_dft_tools/triqs_dft_tools.hpp
* python dir based on single cmakelist file
* registered C++ tests for plovasp
* corrected imports for py3 tests for plovasp
* corrected block order in sigma_from_file and srvo3_Gloc
* exchanged ref files for sigma_from_file, srvo3_Gloc, SrVO3.ref.h5
* moved vasp converter bash scripts from dir shells to bin dir
2020-06-10 17:45:53 +02:00

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Python

# Generated automatically using the command :
# c++2py.py -m atm -o atm --moduledoc "Analytical Tetrahedron Method for DOS" ../../../../c++/triqs_dft_tools/converters/vasp/dos_tetra3d.hpp
from cpp2py.wrap_generator import *
# The module
module = module_(full_name = "atm", doc = "Analytical Tetrahedron Method for calculating DOS", app_name = "atm")
# All the triqs C++/Python modules
# Add here all includes beyond what is automatically included by the triqs modules
module.add_include("triqs_dft_tools/converters/vasp/dos_tetra3d.hpp")
# Add here anything to add in the C++ code at the start, e.g. namespace using
module.add_preamble("""
#include <triqs/cpp2py_converters/arrays.hpp>
using namespace triqs::arrays;
""")
module.add_function ("array<double,2> dos_tetra_weights_3d (array_view<double,1> eigk, double en, array_view<long,2> itt)", doc = """DOS of a band by analytical tetrahedron method\n\n Returns corner weights for all tetrahedra for a given band and real energy.""")
module.generate_code()