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.