Program H2_Test USE Numeric_Kinds_Module IMPLICIT NONE INTEGER i INTEGER(KIND=IW_Kind), PARAMETER :: N=301, Plt_Unit=7 REAL(Kind=WP_Kind) r, dr, vpot, V_H2_PKH3(n), rvec(3) ! h2 diatomic potential used in PKH3 dr=100.d0/(n-1) OPEN(UNIT=Plt_Unit,FILE="E:\ParkerE\Potentials\Diatomics\V_H2_PKH3_Plt.csv") WRITE(Plt_Unit,*)"r, V_H2_PKH3(i)" DO i=1,n r=i*dr rvec(1)=r rvec(2)= 10000.0d0 rvec(3)= 10000.0d0 CALL H3PK(vpot,rvec) V_H2_PKH3(i)=vpot WRITE(Plt_Unit,'(1PE14.6,",",1PE14.7)')r, V_H2_PKH3(i) ENDDO ENDPROGRAM H2_Test