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Swap loop indices in CC

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This commit is contained in:
Anthony Scemama 2019-09-13 21:12:37 +02:00
parent baa350efb1
commit 170f59c9cd
2 changed files with 361 additions and 77 deletions
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79
devel/cc/form_cW_nc.irp.f
View File

@ -17,6 +17,7 @@ subroutine form_cW_nc(nO,nV,t1,t2,tau,cWoooo,cWovvo,cWvvvv)
integer :: i,j,m,n
integer :: a,b,e,f
double precision,external :: Kronecker_Delta
double precision :: x
! Output variables
@ -24,25 +25,33 @@ subroutine form_cW_nc(nO,nV,t1,t2,tau,cWoooo,cWovvo,cWvvvv)
double precision,intent(out) :: cWovvo(nO,nV,nV,nO)
double precision,intent(out) :: cWvvvv(nV,nV,nV,nV)
! OOOO block
cWoooo(:,:,:,:) = OOOO(:,:,:,:)
do m=1,nO
do n=1,nO
do i=1,nO
do j=1,nO
do e=1,nV
do j=1,nO
do i=1,nO
do n=1,nO
do m=1,nO
cWoooo(m,n,i,j) = cWoooo(m,n,i,j) + t1(j,e)*OOOV(m,n,i,e) - t1(i,e)*OOOV(m,n,j,e)
end do
end do
end do
end do
end do
do e=1,nV
do f=1,nV
cWoooo(m,n,i,j) = cWoooo(m,n,i,j) + 0.25d0*tau(i,j,e,f)*OOVV(m,n,e,f)
do e=1,nV
do j=1,nO
do i=1,nO
x = 0.25d0*tau(i,j,e,f)
do n=1,nO
do m=1,nO
cWoooo(m,n,i,j) = cWoooo(m,n,i,j) + x*OOVV(m,n,e,f)
end do
end do
end do
end do
end do
@ -52,26 +61,40 @@ subroutine form_cW_nc(nO,nV,t1,t2,tau,cWoooo,cWovvo,cWvvvv)
cWovvo(:,:,:,:) = OVVO(:,:,:,:)
do m=1,nO
do b=1,nV
do e=1,nV
do j=1,nO
do f=1,nV
do j=1,nO
do e=1,nV
do b=1,nV
do m=1,nO
cWovvo(m,b,e,j) = cWovvo(m,b,e,j) + t1(j,f)*OVVV(m,b,e,f)
end do
end do
end do
end do
end do
do j=1,nO
do e=1,nV
do b=1,nV
do n=1,nO
do m=1,nO
cWovvo(m,b,e,j) = cWovvo(m,b,e,j) - t1(n,b)*OOVO(m,n,e,j)
end do
end do
end do
end do
end do
do n=1,nO
do j=1,nO
do f=1,nV
cWovvo(m,b,e,j) = cWovvo(m,b,e,j) &
- ( 0.5d0*t2(j,n,f,b) + t1(j,f)*t1(n,b) )*OOVV(m,n,e,f)
do b=1,nV
do n=1,nO
x = 0.5d0*t2(j,n,f,b) + t1(j,f)*t1(n,b)
do e=1,nV
do m=1,nO
cWovvo(m,b,e,j) = cWovvo(m,b,e,j) - x *OOVV(m,n,e,f)
end do
end do
end do
end do
end do
@ -81,21 +104,29 @@ subroutine form_cW_nc(nO,nV,t1,t2,tau,cWoooo,cWovvo,cWvvvv)
cWvvvv(:,:,:,:) = VVVV(:,:,:,:)
do a=1,nV
do b=1,nV
do e=1,nV
do f=1,nV
do e=1,nV
do b=1,nV
do a=1,nV
do m=1,nO
cWvvvv(a,b,e,f) = cWvvvv(a,b,e,f) - t1(m,b)*VOVV(a,m,e,f) + t1(m,a)*VOVV(b,m,e,f)
end do
end do
end do
end do
end do
do m=1,nO
do f=1,nV
do e=1,nV
do b=1,nV
do a=1,nV
x = 0.d0
do n=1,nO
cWvvvv(a,b,e,f) = cWvvvv(a,b,e,f) + 0.25d0*tau(m,n,a,b)*OOVV(m,n,e,f)
do m=1,nO
x = x + tau(m,n,a,b)*OOVV(m,n,e,f)
end do
end do
cWvvvv(a,b,e,f) = cWvvvv(a,b,e,f) + 0.25d0*x
end do
end do
end do

299
devel/cc/form_r2_nc.irp.f
View File

@ -19,6 +19,7 @@ subroutine form_r2_nc(nO,nV,t1,t2,tau,cFoo,cFov,cFvv,cWoooo,cWvvvv,cWovvo,r2)
double precision,intent(in) :: t1(nO,nV)
double precision,intent(in) :: t2(nO,nO,nV,nV)
double precision,intent(in) :: tau(nO,nO,nV,nV)
double precision :: x
! Local variables
@ -31,65 +32,317 @@ subroutine form_r2_nc(nO,nV,t1,t2,tau,cFoo,cFov,cFvv,cWoooo,cWvvvv,cWovvo,r2)
r2(:,:,:,:) = OOVV(:,:,:,:)
do i=1,nO
do j=1,nO
do a=1,nV
do e=1,nV
do b=1,nV
do a=1,nV
do j=1,nO
do i=1,nO
r2(i,j,a,b) = r2(i,j,a,b) + t2(i,j,a,e)*cFvv(b,e)
end do
end do
end do
end do
end do
do e=1,nV
r2(i,j,a,b) = r2(i,j,a,b) + t2(i,j,a,e)*cFvv(b,e)
do b=1,nV
do a=1,nV
do j=1,nO
do i=1,nO
r2(i,j,a,b) = r2(i,j,a,b) - t2(i,j,b,e)*cFvv(a,e)
end do
end do
end do
end do
end do
do m=1,nO
do b=1,nV
do e=1,nV
r2(i,j,a,b) = r2(i,j,a,b) - 0.5d0*t2(i,j,a,e)*t1(m,b)*cFov(m,e)
r2(i,j,a,b) = r2(i,j,a,b) + 0.5d0*t2(i,j,b,e)*t1(m,a)*cFov(m,e)
do a=1,nV
do j=1,nO
do i=1,nO
x = 0.5d0*t2(i,j,a,e)
if (x /= 0.d0) then
do m=1,nO
r2(i,j,a,b) = r2(i,j,a,b) - x*t1(m,b)*cFov(m,e)
end do
endif
end do
end do
end do
end do
end do
do e=1,nV
do b=1,nV
do a=1,nV
do j=1,nO
do i=1,nO
x = 0.5d0*t2(i,j,b,e)
if (x /= 0.d0) then
do m=1,nO
r2(i,j,a,b) = r2(i,j,a,b) + x*t1(m,a)*cFov(m,e)
end do
endif
end do
end do
end do
end do
end do
do b=1,nV
do a=1,nV
do j=1,nO
do m=1,nO
x = cFoo(m,j)
do i=1,nO
r2(i,j,a,b) = r2(i,j,a,b) - t2(i,m,a,b)*x
end do
end do
end do
end do
end do
do b=1,nV
do a=1,nV
do j=1,nO
do i=1,nO
do m=1,nO
r2(i,j,a,b) = r2(i,j,a,b) - t2(i,m,a,b)*cFoo(m,j)
r2(i,j,a,b) = r2(i,j,a,b) + t2(j,m,a,b)*cFoo(m,i)
end do
end do
end do
end do
end do
do m=1,nO
do b=1,nV
do a=1,nV
do e=1,nV
r2(i,j,a,b) = r2(i,j,a,b) - 0.5d0*t2(i,m,a,b)*t1(j,e)*cFov(m,e)
r2(i,j,a,b) = r2(i,j,a,b) + 0.5d0*t2(j,m,a,b)*t1(i,e)*cFov(m,e)
do m=1,nO
x = 0.5d0*cFov(m,e)
if (x == 0.d0) cycle
do j=1,nO
do i=1,nO
r2(i,j,a,b) = r2(i,j,a,b) - x*t2(i,m,a,b)*t1(j,e)
end do
end do
end do
end do
end do
end do
do b=1,nV
do a=1,nV
do e=1,nV
do m=1,nO
x = 0.5d0*cFov(m,e)
do j=1,nO
do i=1,nO
r2(i,j,a,b) = r2(i,j,a,b) + x*t2(j,m,a,b)*t1(i,e)
end do
end do
end do
end do
end do
end do
do b=1,nV
do a=1,nV
do j=1,nO
do i=1,nO
do n=1,nO
do m=1,nO
r2(i,j,a,b) = r2(i,j,a,b) + 0.5d0*tau(m,n,a,b)*cWoooo(m,n,i,j)
end do
end do
end do
end do
end do
end do
do e=1,nV
do f=1,nV
r2(i,j,a,b) = r2(i,j,a,b) + 0.5d0*tau(i,j,e,f)*cWvvvv(a,b,e,f)
do e=1,nV
do b=1,nV
do a=1,nV
x = 0.5d0*cWvvvv(a,b,e,f)
do j=1,nO
do i=1,nO
r2(i,j,a,b) = r2(i,j,a,b) + x*tau(i,j,e,f)
end do
end do
end do
end do
end do
end do
do m=1,nO
do b=1,nV
do a=1,nV
do j=1,nO
do e=1,nV
r2(i,j,a,b) = r2(i,j,a,b) &
+ t2(i,m,a,e)*cWovvo(m,b,e,j) - t1(i,e)*t1(m,a)*OVVO(m,b,e,j) &
- t2(j,m,a,e)*cWovvo(m,b,e,i) + t1(j,e)*t1(m,a)*OVVO(m,b,e,i) &
- t2(i,m,b,e)*cWovvo(m,a,e,j) + t1(i,e)*t1(m,b)*OVVO(m,a,e,j) &
+ t2(j,m,b,e)*cWovvo(m,a,e,i) - t1(j,e)*t1(m,b)*OVVO(m,a,e,i)
do m=1,nO
do i=1,nO
r2(i,j,a,b) = r2(i,j,a,b) + t2(i,m,a,e)*cWovvo(m,b,e,j)
end do
end do
end do
end do
end do
end do
do b=1,nV
do a=1,nV
do j=1,nO
do e=1,nV
do m=1,nO
x = t1(m,a)*OVVO(m,b,e,j)
do i=1,nO
r2(i,j,a,b) = r2(i,j,a,b) - t1(i,e)*x
end do
end do
end do
end do
end do
end do
do b=1,nV
do e=1,nV
do a=1,nV
do j=1,nO
do i=1,nO
do m=1,nO
r2(i,j,a,b) = r2(i,j,a,b) - t2(j,m,a,e)*cWovvo(m,b,e,i)
end do
end do
end do
end do
end do
end do
do b=1,nV
do a=1,nV
do e=1,nV
do j=1,nO
do i=1,nO
do m=1,nO
r2(i,j,a,b) = r2(i,j,a,b) + t1(j,e)*t1(m,a)*OVVO(m,b,e,i)
end do
end do
end do
end do
end do
end do
do e=1,nV
r2(i,j,a,b) = r2(i,j,a,b) + t1(i,e)*VVVO(a,b,e,j) - t1(j,e)*VVVO(a,b,e,i)
end do
do b=1,nV
do a=1,nV
do j=1,nO
do m=1,nO
r2(i,j,a,b) = r2(i,j,a,b) - t1(m,a)*OVOO(m,b,i,j) + t1(m,b)*OVOO(m,a,i,j)
do i=1,nO
r2(i,j,a,b) = r2(i,j,a,b) - t2(i,m,b,e)*cWovvo(m,a,e,j)
end do
end do
end do
end do
end do
end do
do b=1,nV
do a=1,nV
do j=1,nO
do e=1,nV
do i=1,nO
do m=1,nO
r2(i,j,a,b) = r2(i,j,a,b) + t1(i,e)*t1(m,b)*OVVO(m,a,e,j)
end do
end do
end do
end do
end do
end do
do e=1,nV
do b=1,nV
do a=1,nV
do j=1,nO
do i=1,nO
do m=1,nO
r2(i,j,a,b) = r2(i,j,a,b) + t2(j,m,b,e)*cWovvo(m,a,e,i)
end do
end do
end do
end do
end do
end do
do b=1,nV
do e=1,nV
do a=1,nV
do j=1,nO
do i=1,nO
do m=1,nO
r2(i,j,a,b) = r2(i,j,a,b) - t1(j,e)*t1(m,b)*OVVO(m,a,e,i)
end do
end do
end do
end do
end do
end do
do b=1,nV
do a=1,nV
do j=1,nO
do e=1,nV
do i=1,nO
r2(i,j,a,b) = r2(i,j,a,b) + t1(i,e)*VVVO(a,b,e,j)
end do
end do
end do
end do
end do
do b=1,nV
do a=1,nV
do e=1,nV
do i=1,nO
do j=1,nO
r2(i,j,a,b) = r2(i,j,a,b) - t1(j,e)*VVVO(a,b,e,i)
end do
end do
end do
end do
end do
do b=1,nV
do a=1,nV
do j=1,nO
do i=1,nO
do m=1,nO
r2(i,j,a,b) = r2(i,j,a,b) - t1(m,a)*OVOO(m,b,i,j)
end do
end do
end do
end do
end do
do b=1,nV
do a=1,nV
do j=1,nO
do i=1,nO
do m=1,nO
r2(i,j,a,b) = r2(i,j,a,b) + t1(m,b)*OVOO(m,a,i,j)
end do
end do
end do
end do