Setter for FENE bond.
U = -0.5 k rmax^2 log [1 - ((r - r0)/rmax)^2]
User-set parameters:
krmaxr0The bond cannot extend beyond (rmax+r0), where r0 is the equilibrium bond length. If r0 = 0, this reduces to the standard definition of FENE bonds.
Internally stored parameters:
rmax^2| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| real(kind=rp), | intent(inout), | dimension(:) | :: | params | ||
| real(kind=rp), | intent(in), | optional | :: | k | ||
| real(kind=rp), | intent(in), | optional | :: | rmax | ||
| real(kind=rp), | intent(in), | optional | :: | r0 |