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https://github.com/triqs/dft_tools
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7471691219
* Added a new input format for the list of ions. It is now possible to group ions (like this [1 2] [5 6]) that are considered equivalent in the solver. This has required changing the internal variable 'ion_list' to a dictionary 'ions' which can later be enhanced by other features (such as specifying ions by element name). |
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.. | ||
converters | ||
__init__.py | ||
.gitignore | ||
block_structure.py | ||
clear_h5_output.py | ||
CMakeLists.txt | ||
sumk_dft_tools.py | ||
sumk_dft.py | ||
symmetry.py | ||
trans_basis.py | ||
update_archive.py | ||
version.py.in |