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https://github.com/TREX-CoE/qmckl.git
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Removed DIR$
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@ -434,24 +434,18 @@ integer function qmckl_adjoint_f(context, ma, na, LDA, A, det_l) &
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select case (na)
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select case (na)
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case default
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case default
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!DIR$ forceinline
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print *," TODO: Implement general adjoint"
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print *," TODO: Implement general adjoint"
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stop 0
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stop 0
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case (5)
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case (5)
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!DIR$ forceinline
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call adjoint5(a,LDA,na,det_l)
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call adjoint5(a,LDA,na,det_l)
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case (4)
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case (4)
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!DIR$ forceinline
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call adjoint4(a,LDA,na,det_l)
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call adjoint4(a,LDA,na,det_l)
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case (3)
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case (3)
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!DIR$ forceinline
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call adjoint3(a,LDA,na,det_l)
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call adjoint3(a,LDA,na,det_l)
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case (2)
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case (2)
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!DIR$ forceinline
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call adjoint2(a,LDA,na,det_l)
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call adjoint2(a,LDA,na,det_l)
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case (1)
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case (1)
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!DIR$ forceinline
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call adjoint1(a,LDA,na,det_l)
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call adjoint1(a,LDA,na,det_l)
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case (0)
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case (0)
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det_l=1.d0
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det_l=1.d0
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@ -668,7 +662,6 @@ subroutine cofactor3(a,LDA,na,det_l)
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integer*8, intent(in) :: na
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integer*8, intent(in) :: na
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double precision, intent(inout) :: det_l
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double precision, intent(inout) :: det_l
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double precision :: b(4,3)
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double precision :: b(4,3)
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!DIR$ ATTRIBUTES ALIGN : $IRP_ALIGN :: b
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integer :: i
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integer :: i
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det_l = a(1,1)*(a(2,2)*a(3,3)-a(2,3)*a(3,2)) &
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det_l = a(1,1)*(a(2,2)*a(3,3)-a(2,3)*a(3,2)) &
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-a(1,2)*(a(2,1)*a(3,3)-a(2,3)*a(3,1)) &
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-a(1,2)*(a(2,1)*a(3,3)-a(2,3)*a(3,1)) &
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@ -677,7 +670,7 @@ subroutine cofactor3(a,LDA,na,det_l)
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b(i,1) = a(i,1)
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b(i,1) = a(i,1)
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b(i,2) = a(i,2)
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b(i,2) = a(i,2)
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b(i,3) = a(i,3)
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b(i,3) = a(i,3)
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enddo
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end do
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a(1,1) = b(2,2)*b(3,3) - b(2,3)*b(3,2)
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a(1,1) = b(2,2)*b(3,3) - b(2,3)*b(3,2)
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a(2,1) = b(2,3)*b(3,1) - b(2,1)*b(3,3)
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a(2,1) = b(2,3)*b(3,1) - b(2,1)*b(3,3)
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a(3,1) = b(2,1)*b(3,2) - b(2,2)*b(3,1)
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a(3,1) = b(2,1)*b(3,2) - b(2,2)*b(3,1)
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@ -699,7 +692,6 @@ subroutine cofactor4(a,LDA,na,det_l)
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integer*8, intent(in) :: na
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integer*8, intent(in) :: na
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double precision, intent(inout) :: det_l
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double precision, intent(inout) :: det_l
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double precision :: b(4,4)
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double precision :: b(4,4)
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!DIR$ ATTRIBUTES ALIGN : $IRP_ALIGN :: b
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integer :: i,j
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integer :: i,j
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det_l = a(1,1)*(a(2,2)*(a(3,3)*a(4,4)-a(3,4)*a(4,3)) &
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det_l = a(1,1)*(a(2,2)*(a(3,3)*a(4,4)-a(3,4)*a(4,3)) &
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-a(2,3)*(a(3,2)*a(4,4)-a(3,4)*a(4,2)) &
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-a(2,3)*(a(3,2)*a(4,4)-a(3,4)*a(4,2)) &
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@ -718,7 +710,7 @@ subroutine cofactor4(a,LDA,na,det_l)
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b(2,i) = a(2,i)
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b(2,i) = a(2,i)
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b(3,i) = a(3,i)
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b(3,i) = a(3,i)
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b(4,i) = a(4,i)
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b(4,i) = a(4,i)
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enddo
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end do
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a(1,1) = b(2,2)*(b(3,3)*b(4,4)-b(3,4)*b(4,3))-b(2,3)*(b(3,2)*b(4,4)-b(3,4)*b(4,2))+b(2,4)*(b(3,2)*b(4,3)-b(3,3)*b(4,2))
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a(1,1) = b(2,2)*(b(3,3)*b(4,4)-b(3,4)*b(4,3))-b(2,3)*(b(3,2)*b(4,4)-b(3,4)*b(4,2))+b(2,4)*(b(3,2)*b(4,3)-b(3,3)*b(4,2))
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a(2,1) = -b(2,1)*(b(3,3)*b(4,4)-b(3,4)*b(4,3))+b(2,3)*(b(3,1)*b(4,4)-b(3,4)*b(4,1))-b(2,4)*(b(3,1)*b(4,3)-b(3,3)*b(4,1))
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a(2,1) = -b(2,1)*(b(3,3)*b(4,4)-b(3,4)*b(4,3))+b(2,3)*(b(3,1)*b(4,4)-b(3,4)*b(4,1))-b(2,4)*(b(3,1)*b(4,3)-b(3,3)*b(4,1))
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@ -749,7 +741,6 @@ subroutine cofactor5(a,LDA,na,det_l)
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integer*8, intent(in) :: na
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integer*8, intent(in) :: na
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double precision, intent(inout) :: det_l
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double precision, intent(inout) :: det_l
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double precision :: b(5,5)
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double precision :: b(5,5)
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!DIR$ ATTRIBUTES ALIGN : $IRP_ALIGN :: b
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integer :: i,j
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integer :: i,j
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det_l = a(1,1)*(a(2,2)*(a(3,3)*(a(4,4)*a(5,5)-a(4,5)*a(5,4))-a(3,4)*( &
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det_l = a(1,1)*(a(2,2)*(a(3,3)*(a(4,4)*a(5,5)-a(4,5)*a(5,4))-a(3,4)*( &
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a(4,3)*a(5,5)-a(4,5)*a(5,3))+a(3,5)*(a(4,3)*a(5,4)-a(4,4)*a(5,3)))- &
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a(4,3)*a(5,5)-a(4,5)*a(5,3))+a(3,5)*(a(4,3)*a(5,4)-a(4,4)*a(5,3)))- &
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@ -795,7 +786,7 @@ subroutine cofactor5(a,LDA,na,det_l)
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b(3,i) = a(3,i)
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b(3,i) = a(3,i)
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b(4,i) = a(4,i)
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b(4,i) = a(4,i)
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b(5,i) = a(5,i)
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b(5,i) = a(5,i)
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enddo
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end do
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a(1,1) = &
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a(1,1) = &
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(b(2,2)*(b(3,3)*(b(4,4)*b(5,5)-b(4,5)*b(5,4))-b(3,4)*(b(4,3)*b(5,5)-b(4,5)*b(5,3))+b(3,5)*(b(4,3)*b(5,4)-b(4,4)*b(5,3)))-b(2,3)* &
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(b(2,2)*(b(3,3)*(b(4,4)*b(5,5)-b(4,5)*b(5,4))-b(3,4)*(b(4,3)*b(5,5)-b(4,5)*b(5,3))+b(3,5)*(b(4,3)*b(5,4)-b(4,4)*b(5,3)))-b(2,3)* &
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