bond_kg_set Subroutine

private subroutine bond_kg_set(params, k, rmax, eps, sigma)

Setter for FENE bond interaction.

   V = 4*eps*[(r/sigma)^12 - (r/sigma)^6] + eps
   W = -0.5 k rmax^2 log [1 - (r/rmax)^2]
   U = W + V, r < 2^(1/6)*sigma
       W, r >= 2^(1/6)*sigma

User-set parameters:

• params(1) = k
• params(2) = rmax
• params(3) = eps
• params(4) = sigma

Internally stored parameters:

• params(5) = rmax^2
• params(6) = 2^(1/6)*sigma

Arguments