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Self Interaction Term

c **********************************************************************
c     selfTerm.F
c **********************************************************************
      subroutine CalcSi
c **********************************************************************

      use global_parameters
      use serial_arrays
      use scalars
      use pmeVar

      implicit none

      integer j

      pi = two*asin(one)
      rtPi = sqrt(pi)   !init variables
      selfTerm = 0

      

      do j = 1, numa(0), 1
         selfTerm = selfTerm + qatom(j)*qatom(j)
      end do
      
      selfTerm = -1*alpha/rtPi * selfTerm

      return

      end


Thomas G Dimiduk 2004-04-15