Program SplineFit_Test USE Numeric_Kinds_Module !USE Numbers_Module IMPLICIT NONE INTEGER i INTEGER(KIND=IW_Kind), PARAMETER :: N=601, Plt_Unit=7 REAL(Kind=WP_Kind) r, rmin, dr, V, VP, VPP ! LennardJones diatomic potential ! PI=4.d0*ATAN(1.d0) rmin=0.0 dr=(PI/Three-rmin)/(n-1) OPEN(UNIT=Plt_Unit,FILE="E:\ParkerE\Potentials\Diatomics\DiatomicPES_SplineFit_Plt.csv") WRITE(Plt_Unit,*)"r, V, VP, VPP" DO i=1,n r=rmin+(i-1)*dr CALL DiatomicPES_SplineFit(r,v,vp,vpp) WRITE(Plt_Unit,'(7(1PE14.6,","))')r, V, VP, VPP ENDDO STOP "Successfull end of SplineFitTest" ENDPROGRAM SplineFit_Test