The CP2K project : input section FRAGMENT_ENERGIES
Section
FRAGMENT_ENERGIES
Index of all sections
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FORCE_EVAL
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BSSE
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FRAGMENT_ENERGIES
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This section contains the energies of the fragments already computed. It is useful as a summary and specifically for restarting BSSE runs. This section can be repeated and can not be optional.
Subsections
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Section keywords
_DEFAULT_KEYWORD_
Keyword descriptions
_DEFAULT_KEYWORD_
The energy computed for each fragment
This optional keyword expects a real, and may repeat
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