GitHub - danieleongari/cp2k_wfncombine: (DEPRECATED) Tool to combine WFNs from different isolated fragments into a single one to use as an educated restart

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(DEPRECATED) Tool to combine WFNs from different isolated fragments into a single one to use as an educated restart

github.com/danieleongari/cp2k_wfntools

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Name		Name	Last commit message	Last commit date
Latest commit History 23 Commits
tests		tests
README.md		README.md
add_basis_sets.py		add_basis_sets.py
combine_wfn.py		combine_wfn.py
parse_wfn.py		parse_wfn.py

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Program to combine CP2K's WFN files

DEPRECATED: check instead https://github.com/danieleongari/cp2k_wfntools

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(DEPRECATED) Tool to combine WFNs from different isolated fragments into a single one to use as an educated restart

github.com/danieleongari/cp2k_wfntools

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