| ! { dg-do compile } |
| ! { dg-options "-O -fbounds-check -w" } |
| MODULE kinds |
| INTEGER, PARAMETER :: dp = SELECTED_REAL_KIND ( 14, 200 ) |
| INTEGER, DIMENSION(:), ALLOCATABLE :: nco,ncoset,nso,nsoset |
| INTEGER, DIMENSION(:,:,:), ALLOCATABLE :: co,coset |
| END MODULE kinds |
| MODULE ai_moments |
| USE kinds |
| CONTAINS |
| SUBROUTINE cossin(la_max,npgfa,zeta,rpgfa,la_min,& |
| lb_max,npgfb,zetb,rpgfb,lb_min,& |
| rac,rbc,kvec,cosab,sinab) |
| REAL(KIND=dp), DIMENSION(ncoset(la_max),& |
| ncoset(lb_max)) :: sc, ss |
| DO ipgf=1,npgfa |
| DO jpgf=1,npgfb |
| IF (la_max > 0) THEN |
| DO la=2,la_max |
| DO ax=2,la |
| DO ay=0,la-ax |
| sc(coset(ax,ay,az),1) = rap(1)*sc(coset(ax-1,ay,az),1) +& |
| f2 * kvec(1)*ss(coset(ax-1,ay,az),1) |
| ss(coset(ax,ay,az),1) = rap(1)*ss(coset(ax-1,ay,az),1) +& |
| f2 * kvec(1)*sc(coset(ax-1,ay,az),1) |
| END DO |
| END DO |
| END DO |
| IF (lb_max > 0) THEN |
| DO lb=2,lb_max |
| ss(1,coset(0,0,lb)) = rbp(3)*ss(1,coset(0,0,lb-1)) +& |
| f2 * kvec(3)*sc(1,coset(0,0,lb-1)) |
| DO bx=2,lb |
| DO by=0,lb-bx |
| ss(1,coset(bx,by,bz)) = rbp(1)*ss(1,coset(bx-1,by,bz)) +& |
| f2 * kvec(1)*sc(1,coset(bx-1,by,bz)) |
| END DO |
| END DO |
| END DO |
| END IF |
| END IF |
| DO j=ncoset(lb_min-1)+1,ncoset(lb_max) |
| END DO |
| END DO |
| END DO |
| END SUBROUTINE cossin |
| SUBROUTINE moment(la_max,npgfa,zeta,rpgfa,la_min,& |
| lb_max,npgfb,zetb,rpgfb,& |
| lc_max,rac,rbc,mab) |
| REAL(KIND=dp), DIMENSION(:), INTENT(IN) :: zeta, rpgfa |
| REAL(KIND=dp), DIMENSION(:), INTENT(IN) :: zetb, rpgfb |
| REAL(KIND=dp), DIMENSION(:, :, :), & |
| INTENT(INOUT) :: mab |
| REAL(KIND=dp), DIMENSION(3) :: rab, rap, rbp, rpc |
| REAL(KIND=dp), DIMENSION(ncoset(la_max),& |
| ncoset(lb_max), ncoset(lc_max)) :: s |
| DO ipgf=1,npgfa |
| DO jpgf=1,npgfb |
| IF (rpgfa(ipgf) + rpgfb(jpgf) < dab) THEN |
| DO k=1, ncoset(lc_max)-1 |
| DO j=nb+1,nb+ncoset(lb_max) |
| DO i=na+1,na+ncoset(la_max) |
| mab(i,j,k) = 0.0_dp |
| END DO |
| END DO |
| END DO |
| END IF |
| rpc = zetp*(zeta(ipgf)*rac+zetb(jpgf)*rbc) |
| DO l=2, ncoset(lc_max) |
| lx = indco(1,l) |
| l2 = 0 |
| IF ( lz > 0 ) THEN |
| IF ( lz > 1 ) l2 = coset(lx,ly,lz-2) |
| ELSE IF ( ly > 0 ) THEN |
| IF ( ly > 1 ) l2 = coset(lx,ly-2,lz) |
| IF ( lx > 1 ) l2 = coset(lx-2,ly,lz) |
| END IF |
| s(1,1,l) = rpc(i)*s(1,1,l1) |
| IF ( l2 > 0 ) s(1,1,l) = s(1,1,l) + f2*REAL(ni,dp)*s(1,1,l2) |
| END DO |
| DO l = 1, ncoset(lc_max) |
| IF ( lx > 0 ) THEN |
| lx1 = coset(lx-1,ly,lz) |
| END IF |
| IF ( ly > 0 ) THEN |
| ly1 = coset(lx,ly-1,lz) |
| END IF |
| IF (la_max > 0) THEN |
| DO la=2,la_max |
| IF ( lz1 > 0 ) s(coset(0,0,la),1,l) = s(coset(0,0,la),1,l) + & |
| f2z*s(coset(0,0,la-1),1,lz1) |
| IF ( ly1 > 0 ) s(coset(0,1,az),1,l) = s(coset(0,1,az),1,l) + & |
| f2y*s(coset(0,0,az),1,ly1) |
| DO ay=2,la |
| s(coset(0,ay,az),1,l) = rap(2)*s(coset(0,ay-1,az),1,l) +& |
| f2*REAL(ay-1,dp)*s(coset(0,ay-2,az),1,l) |
| IF ( ly1 > 0 ) s(coset(0,ay,az),1,l) = s(coset(0,ay,az),1,l) + & |
| f2y*s(coset(0,ay-1,az),1,ly1) |
| END DO |
| DO ay=0,la-1 |
| IF ( lx1 > 0 ) s(coset(1,ay,az),1,l) = s(coset(1,ay,az),1,l) + & |
| f2x*s(coset(0,ay,az),1,lx1) |
| END DO |
| DO ax=2,la |
| DO ay=0,la-ax |
| s(coset(ax,ay,az),1,l) = rap(1)*s(coset(ax-1,ay,az),1,l) +& |
| f3*s(coset(ax-2,ay,az),1,l) |
| IF ( lx1 > 0 ) s(coset(ax,ay,az),1,l) = s(coset(ax,ay,az),1,l) + & |
| f2x*s(coset(ax-1,ay,az),1,lx1) |
| END DO |
| END DO |
| END DO |
| IF (lb_max > 0) THEN |
| DO j=2,ncoset(lb_max) |
| DO i=1,ncoset(la_max) |
| s(i,j,l) = 0.0_dp |
| END DO |
| END DO |
| DO la=la_start,la_max-1 |
| DO ax=0,la |
| DO ay=0,la-ax |
| s(coset(ax,ay,az),2,l) = s(coset(ax+1,ay,az),1,l) -& |
| rab(1)*s(coset(ax,ay,az),1,l) |
| s(coset(ax,ay,az),4,l) = s(coset(ax,ay,az+1),1,l) -& |
| rab(3)*s(coset(ax,ay,az),1,l) |
| END DO |
| END DO |
| END DO |
| DO ax=0,la_max |
| DO ay=0,la_max-ax |
| IF (ax == 0) THEN |
| s(coset(ax,ay,az),2,l) = rbp(1)*s(coset(ax,ay,az),1,l) |
| ELSE |
| s(coset(ax,ay,az),2,l) = rbp(1)*s(coset(ax,ay,az),1,l) +& |
| fx*s(coset(ax-1,ay,az),1,l) |
| END IF |
| IF (lx1 > 0) s(coset(ax,ay,az),2,l) = s(coset(ax,ay,az),2,l) +& |
| f2x*s(coset(ax,ay,az),1,lx1) |
| IF (ay == 0) THEN |
| s(coset(ax,ay,az),3,l) = rbp(2)*s(coset(ax,ay,az),1,l) |
| ELSE |
| s(coset(ax,ay,az),3,l) = rbp(2)*s(coset(ax,ay,az),1,l) +& |
| fy*s(coset(ax,ay-1,az),1,l) |
| END IF |
| IF (ly1 > 0) s(coset(ax,ay,az),3,l) = s(coset(ax,ay,az),3,l) +& |
| f2y*s(coset(ax,ay,az),1,ly1) |
| IF (az == 0) THEN |
| s(coset(ax,ay,az),4,l) = rbp(3)*s(coset(ax,ay,az),1,l) |
| ELSE |
| s(coset(ax,ay,az),4,l) = rbp(3)*s(coset(ax,ay,az),1,l) +& |
| fz*s(coset(ax,ay,az-1),1,l) |
| END IF |
| IF (lz1 > 0) s(coset(ax,ay,az),4,l) = s(coset(ax,ay,az),4,l) +& |
| f2z*s(coset(ax,ay,az),1,lz1) |
| END DO |
| END DO |
| DO lb=2,lb_max |
| DO la=la_start,la_max-1 |
| DO ax=0,la |
| DO ay=0,la-ax |
| s(coset(ax,ay,az),coset(0,0,lb),l) =& |
| rab(3)*s(coset(ax,ay,az),coset(0,0,lb-1),l) |
| DO bx=1,lb |
| DO by=0,lb-bx |
| s(coset(ax,ay,az),coset(bx,by,bz),l) =& |
| rab(1)*s(coset(ax,ay,az),coset(bx-1,by,bz),l) |
| END DO |
| END DO |
| END DO |
| END DO |
| END DO |
| DO ax=0,la_max |
| DO ay=0,la_max-ax |
| IF (az == 0) THEN |
| s(coset(ax,ay,az),coset(0,0,lb),l) =& |
| rbp(3)*s(coset(ax,ay,az),coset(0,0,lb-1),l) +& |
| f3*s(coset(ax,ay,az),coset(0,0,lb-2),l) |
| END IF |
| IF (lz1 > 0) s(coset(ax,ay,az),coset(0,0,lb),l) =& |
| f2z*s(coset(ax,ay,az),coset(0,0,lb-1),lz1) |
| IF (ay == 0) THEN |
| IF (ly1 > 0) s(coset(ax,ay,az),coset(0,1,bz),l) =& |
| f2y*s(coset(ax,ay,az),coset(0,0,bz),ly1) |
| DO by=2,lb |
| s(coset(ax,ay,az),coset(0,by,bz),l) =& |
| f3*s(coset(ax,ay,az),coset(0,by-2,bz),l) |
| IF (ly1 > 0) s(coset(ax,ay,az),coset(0,by,bz),l) =& |
| f2y*s(coset(ax,ay,az),coset(0,by-1,bz),ly1) |
| END DO |
| s(coset(ax,ay,az),coset(0,1,bz),l) =& |
| fy*s(coset(ax,ay-1,az),coset(0,0,bz),l) |
| END IF |
| IF (ax == 0) THEN |
| DO by=0,lb-1 |
| IF (lx1 > 0) s(coset(ax,ay,az),coset(1,by,bz),l) =& |
| f2x*s(coset(ax,ay,az),coset(0,by,bz),lx1) |
| END DO |
| DO bx=2,lb |
| DO by=0,lb-bx |
| s(coset(ax,ay,az),coset(bx,by,bz),l) =& |
| f3*s(coset(ax,ay,az),coset(bx-2,by,bz),l) |
| IF (lx1 > 0) s(coset(ax,ay,az),coset(bx,by,bz),l) =& |
| f2x*s(coset(ax,ay,az),coset(bx-1,by,bz),lx1) |
| END DO |
| END DO |
| DO by=0,lb-1 |
| IF (lx1 > 0) s(coset(ax,ay,az),coset(1,by,bz),l) =& |
| f2x*s(coset(ax,ay,az),coset(0,by,bz),lx1) |
| END DO |
| DO bx=2,lb |
| DO by=0,lb-bx |
| s(coset(ax,ay,az),coset(bx,by,bz),l) =& |
| f3*s(coset(ax,ay,az),coset(bx-2,by,bz),l) |
| IF (lx1 > 0) s(coset(ax,ay,az),coset(bx,by,bz),l) =& |
| f2x*s(coset(ax,ay,az),coset(bx-1,by,bz),lx1) |
| END DO |
| END DO |
| END IF |
| END DO |
| END DO |
| END DO |
| END IF |
| IF (lb_max > 0) THEN |
| DO lb=2,lb_max |
| IF (lz1 > 0) s(1,coset(0,0,lb),l) = s(1,coset(0,0,lb),l) +& |
| f2z*s(1,coset(0,0,lb-1),lz1) |
| IF (ly1 > 0) s(1,coset(0,1,bz),l) = s(1,coset(0,1,bz),l) +& |
| f2y*s(1,coset(0,0,bz),ly1) |
| DO by=2,lb |
| s(1,coset(0,by,bz),l) = rbp(2)*s(1,coset(0,by-1,bz),l) +& |
| f2*REAL(by-1,dp)*s(1,coset(0,by-2,bz),l) |
| IF (lx1 > 0) s(1,coset(1,by,bz),l) = s(1,coset(1,by,bz),l) +& |
| f2x*s(1,coset(0,by,bz),lx1) |
| END DO |
| DO bx=2,lb |
| DO by=0,lb-bx |
| IF (lx1 > 0) s(1,coset(bx,by,bz),l) = s(1,coset(bx,by,bz),l) +& |
| f2x*s(1,coset(bx-1,by,bz),lx1) |
| END DO |
| END DO |
| END DO |
| END IF |
| END IF |
| END DO |
| DO k=2,ncoset(lc_max) |
| DO j=1,ncoset(lb_max) |
| END DO |
| END DO |
| END DO |
| END DO |
| END SUBROUTINE moment |
| SUBROUTINE diff_momop(la_max,npgfa,zeta,rpgfa,la_min,& |
| order,rac,rbc,difmab,mab_ext) |
| REAL(KIND=dp), DIMENSION(:, :, :), & |
| OPTIONAL, POINTER :: mab_ext |
| REAL(KIND=dp), ALLOCATABLE, & |
| DIMENSION(:, :, :) :: difmab_tmp |
| DO imom = 1,ncoset(order)-1 |
| CALL adbdr(la_max,npgfa,rpgfa,la_min,& |
| difmab_tmp(:,:,2), difmab_tmp(:,:,3)) |
| END DO |
| END SUBROUTINE diff_momop |
| END MODULE ai_moments |