Program LennardJones_Test USE Numeric_Kinds_Module IMPLICIT NONE INTEGER i INTEGER(KIND=IW_Kind), PARAMETER :: N=301, Plt_Unit=7 REAL(KIND=WP_Kind) v, vp, vpp REAL(Kind=WP_Kind) r, rmin, dr, V_LennardJones(n), VP_LennardJones(n), VPP_LennardJones(n) ! LennardJones diatomic potential rmin=4.d0 dr=(10.d0-rmin)/(n-1) OPEN(UNIT=Plt_Unit,FILE="E:\ParkerE\Potentials\Diatomics\V_LennardJones_Plt.csv") WRITE(Plt_Unit,*)"r, V_LennardJones(i), VP_LennardJones(i), VPP_LennardJones(i)" DO i=1,n r=rmin+(i-1)*dr CALL LennardJones_Potential(r,v,vp,vpp) V_LennardJones(i)=v VP_LennardJones(i)=vp VPP_LennardJones(i)=vpp WRITE(Plt_Unit,'(7(1PE14.6,","))')r, V_LennardJones(i), VP_LennardJones(i), VPP_LennardJones(i) ENDDO ENDPROGRAM LennardJones_Test