Section BOND_ROTATION

• Section to define the rotation of a bond/line with respect toanother bond/line

• Section path: CP2K_INPUT / FORCE_EVAL / SUBSYS / COLVAR / REACTION_PATH / COLVAR / BOND_ROTATION

• This section cannot be repeated and cannot be optional.

• Subsections

  • POINT

• Keywords

  • P1_BOND1
  • P1_BOND2
  • P2_BOND1
  • P2_BOND2

• Keyword descriptions

  P1_BOND1
  	P1_BOND1 {INTEGER}
  	Specifies the index of atom/point defining the first pointof the first bond/line.
  	This required keyword cannot be repeated and it expects precisely one integer.

  P1_BOND2
  	P1_BOND2 {INTEGER}
  	Specifies the index of atom/point defining the first pointof the second bond/line.
  	This required keyword cannot be repeated and it expects precisely one integer.

  P2_BOND1
  	P2_BOND1 {INTEGER}
  	Specifies the index of atom/point defining the second pointof the first bond/line.
  	This required keyword cannot be repeated and it expects precisely one integer.

  P2_BOND2
  	P2_BOND2 {INTEGER}
  	Specifies the index of atom/point defining the second pointof the second bond/line.
  	This required keyword cannot be repeated and it expects precisely one integer.