SUBROUTINE CollinearFixedRho(Basis_Distxx,Nsectorsxx) USE Numeric_Kinds_Module USE Numbers_Module USE Parms_Module USE FileUnits_Module USE Masses_Module USE MassFactor2_Module USE Narran_Module USE BasisRegions_Module IMPLICIT NONE INTEGER, PARAMETER :: nc=181 INTEGER k, ic, isector, nsectorsxx REAL(KIND=WP_Kind) pot, rho, theta, xchi, sin, cos, dc, Basis_Distxx(21) REAL(KIND=WP_Kind), ALLOCATABLE :: PotChi(:) INTRINSIC sqrt, sin, cos EXTERNAL surface OPEN(Unit=639,File=TRIM(OutDIR)//'PlotVee/Collinear/CollinearFixedRho.csv',Form='FORMATTED') WRITE(639,'(A,",",3000(A4,1PE10.2,","))')"xchi", ("Rho=",Basis_Dist(ISector),ISector=1,NSectors) theta=pi/two dc=Pi/(nc-1) ALLOCATE(PotChi(1:NSectors)) !----------------------------------------------------------------------- ! Calculate the interparticle distances and store them in the array r. !----------------------------------------------------------------------- DO ic=0,nc-1 DO ISector=1,NSectors rho=Basis_Dist(ISector) xchi=ic*dc chi3(1)=xchi chi3(2)=chi3(1)-chij(2,1) chi3(3)=chi3(1)-chij(3,1) DO k=1,narran s(k)=rho*sqrt(Half-Half*sin(theta)*cos(Two*chi3(k))) r(k)=d(k)*s(k) ENDDO !----------------------------------------------------------------------- ! This CALL returns the interaction potential in Hartree atomic units. !----------------------------------------------------------------------- CALL surface (pot, r) potchi(ISector)=pot ENDDO WRITE(639,'(3000(1PE14.6,","))')xchi*(180.d0/Pi), (potchi(ISector),ISector=1,NSectors) ENDDO DEALLOCATE(PotChi) CLOSE(Unit=639) RETURN ENDSUBROUTINE CollinearFixedRho