SMASH_ans.1_150216

ファイルコンテンツ

      implicit none
      integer,parameter :: mxprsh=30, maxdim=1
      integer :: nprimijkl(4), nangijkl(4), nbfijkl(4)
      real(8),parameter :: threshex=30.0D0
      real(8) :: twoeri(1,1,1,1), xyzijkl(3,4), exijkl(mxprsh,4), coijkl(mxprsh,4)
!
      nangijkl(1:4)= 0
      nbfijkl(1:4)= 1
      nprimijkl(1:4)= 3
      xyzijkl(1:3,1:4)= 0.0D+00
!
      exijkl(1,1:4)= 3.4252509D+00
      coijkl(1,1:4)= 0.27693436D+00
      exijkl(2,1:4)= 0.6239137D+00
      coijkl(2,1:4)= 0.26783885D+00
      exijkl(3,1:4)= 0.1688554D+00
      coijkl(3,1:4)= 0.08347367D+00
!
      call int2elec(twoeri,exijkl,coijkl,xyzijkl,nprimijkl,nangijkl,nbfijkl,maxdim, &
&                   mxprsh,threshex)
      write(*,'(f11.7)') twoeri(1,1,1,1)
      end