bond_fene_set Subroutine

private subroutine bond_fene_set(params, k, rmax, r0)

Setter for FENE bond.

  U = -0.5 k rmax^2 log [1 - ((r - r0)/rmax)^2]

User-set parameters:

  • params(1) = k
  • params(2) = rmax
  • params(3) = r0

equilibrium bond length. If r0 = 0, this reduces to the standard definition of FENE bonds.

Internally stored parameters:

  • params(4) = rmax^2

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 :: r0

Called by

proc~~bond_fene_set~~CalledByGraph proc~bond_fene_set bond_fene_set proc~ia_bond_setup ia_bond_setup proc~ia_bond_setup->proc~bond_fene_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