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

Type IntentOptional 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 :: eps
real(kind=rp), intent(in), optional :: sigma

Called by

proc~~bond_kg_set~~CalledByGraph proc~bond_kg_set bond_kg_set proc~ia_bond_setup ia_bond_setup proc~ia_bond_setup->proc~bond_kg_set proc~ia_setup ia_setup proc~ia_setup->proc~ia_bond_setup proc~run run proc~run->proc~ia_setup program~main main program~main->proc~run