Section IPBV

• This section specifies the input parameters for IPBV potential type.Functional form: Implicit table function.

• Section path: CP2K_INPUT / FORCE_EVAL / MM / FORCEFIELD / NONBONDED / IPBV

• This section can be repeated.

• Subsections

  • none

• Keywords

  • ATOMS
  • RCUT
  • RMAX
  • RMIN

• Keyword descriptions

  ATOMS
  	ATOMS {Word} {Word}
  	Defines the atomic kind involved in the IPBV nonbond potential
  	This keyword cannot be repeated and it expects precisely 2 words.

  RCUT
  	RCUT {Real}
  	Defines the cutoff parameter of the IPBV potential
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+001
  	Default unit: [angstrom]

  RMAX
  	RMAX {Real}
  	Defines the upper bound of the potential. If not set the range is the full range generate by the spline
  	This keyword cannot be repeated and it expects precisely one real.
  	Default unit: [angstrom]

  RMIN
  	RMIN {Real}
  	Defines the lower bound of the potential. If not set the range is the full range generate by the spline
  	This keyword cannot be repeated and it expects precisely one real.
  	Default unit: [angstrom]