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https://github.com/triqs/dft_tools
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![]() Since 'n_orbitals' can be a 2D array in case of spin-polarized calculations, one should use 'numpy.max' instead of 'max' to extract the maximum number of bands. |
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.. | ||
converters | ||
__init__.py | ||
.gitignore | ||
clear_h5_output.py | ||
CMakeLists.txt | ||
sumk_dft_tools.py | ||
sumk_dft.py | ||
symmetry.py | ||
trans_basis.py | ||
update_archive.py |