vdw_cosine_set Subroutine

private subroutine vdw_cosine_set(params, A, rcut)

Setter for cosine interaction.

The potential U is given by:

   U = A*[1 + cos(pi*r/rcut)], r < rcut
       0, r >= rcut

The potential as well as its derivative is zero at r = rcut.

User-set parameters:

  • params(1) = A
  • params(2) = rcut

Internally stored parameters:

  • None

Arguments

Type IntentOptional Attributes Name
real(kind=rp), intent(inout), dimension(:) :: params
real(kind=rp), intent(in), optional :: A
real(kind=rp), intent(in), optional :: rcut

Called by

proc~~vdw_cosine_set~~CalledByGraph proc~vdw_cosine_set vdw_cosine_set proc~ia_vdw_setup ia_vdw_setup proc~ia_vdw_setup->proc~vdw_cosine_set proc~ia_setup ia_setup proc~ia_setup->proc~ia_vdw_setup proc~run run proc~run->proc~ia_setup program~main main program~main->proc~run