Section FRAGMENT

• Specify the atom number belonging to this fragment.

• Section path: CP2K_INPUT / FORCE_EVAL / BSSE / FRAGMENT

• This section can be repeated.

• Subsections

  • none

• Keywords

  • LIST

• Keyword descriptions

  LIST
  	LIST {Integer} ... or a range {Integer}..{Integer}
  	Specifies a list of atoms.
  	This keyword can be repeated and it expects a list of integers.