WILLIAMS
Section can be repeated.
This section specifies the input parameters for WILLIAMS potential type.Functional form: V(r) = AEXP(-Br) - C / r^6 . [Edit on GitHub]
Keywords
Keyword descriptions
- A: real
Usage: A {real}
Defines the A parameter of the Williams potential [Edit on GitHub]
- ATOMS: string[2]
Usage: ATOMS {KIND1} {KIND2}
Defines the atomic kind involved in the nonbond potential [Edit on GitHub]
- B: real
Usage: B {real}
Defines the B parameter of the Williams potential [Edit on GitHub]
- C: real
Usage: C {real}
Defines the C parameter of the Williams potential [Edit on GitHub]
- RCUT: real = 1.00000000E+001
Usage: RCUT {real}
Defines the cutoff parameter of the Williams potential [Edit on GitHub]
- RMAX: real
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
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]