IPBV

Section can be repeated.

This section specifies the input parameters for IPBV potential type. Functional form: Implicit table function. [Edit on GitHub]

Keywords

ATOMS: string[2]

Usage: ATOMS {KIND1} {KIND2}

Defines the atomic kind involved in the IPBV nonbond potential [Edit on GitHub]

RCUT: real = 1.00000000E+001 [angstrom]

Usage: RCUT {real}

Defines the cutoff parameter of the IPBV potential [Edit on GitHub]

RMAX: real = [angstrom]

Usage: RMAX {real}

Defines the upper bound of the potential. If not set the range is the full range generate by the spline [Edit on GitHub]

RMIN: real = [angstrom]

Usage: RMIN {real}

Defines the lower bound of the potential. If not set the range is the full range generate by the spline [Edit on GitHub]