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https://github.com/triqs/dft_tools
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33f9e75857
Generation and orthogonalization of PLOs should be separated because some quantities (such as the LDA density matrix) are calculated using the original raw projectors. The orthogonalization routine is now called from 'main.py'. |
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.. | ||
converters | ||
__init__.py | ||
clear_h5_output.py | ||
CMakeLists.txt | ||
sumk_dft_tools.py | ||
sumk_dft.py | ||
symmetry.py | ||
trans_basis.py | ||
update_archive.py |