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Section FRAGMENT_ENERGIES
This section contains the energies of the fragments already computed. It is useful as a summary and specifically for restarting BSSE runs.
Section path:
CP2K_INPUT
/
FORCE_EVAL
/
BSSE
/
FRAGMENT_ENERGIES
This section can be repeated and cannot be optional.
Subsections
none
Keywords
DEFAULT_KEYWORD
Keyword descriptions
DEFAULT_KEYWORD
<REAL>
The energy computed for each fragment
This optional keyword can be repeated and it expects precisely one real.
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(Last update: 8.9.2012)