GOODWIN

Section can be repeated.

This section specifies the input parameters for GOODWIN potential type. Functional form: V(r) = EXP(M*(-(r/DC)**MC+(D/DC)**MC))VR0(D/r)**M. [Edit on GitHub]

Keywords

ATOMS
D
DC
M
MC
RCUT
RMAX
RMIN
VR0

Keyword descriptions

ATOMS: string[2]

Usage: ATOMS {KIND1} {KIND2}

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

D: real = [angstrom]

Usage: D {real}

Defines the D parameter of the Goodwin potential [Edit on GitHub]

DC: real = [angstrom]

Usage: DC {real}

Defines the DC parameter of the Goodwin potential [Edit on GitHub]

M: integer

Usage: M {real}

Defines the M parameter of the Goodwin potential [Edit on GitHub]

MC: integer

Usage: MC {real}

Defines the MC parameter of the Goodwin potential [Edit on GitHub]

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

Usage: RCUT {real}

Defines the cutoff parameter of the Goodwin 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]

VR0: real = [K_e]

Usage: VR0 {real}

Defines the VR0 parameter of the Goodwin potential [Edit on GitHub]