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https://github.com/LCPQ/quantum_package
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corrected pt2_find_sample
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@ -240,28 +240,22 @@ end subroutine
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integer function pt2_find_sample(v, w)
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integer function pt2_find_sample(v, w)
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implicit none
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implicit none
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double precision, intent(in) :: v, w(0:N_det_generators)
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double precision, intent(in) :: v, w(0:N_det_generators)
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integer :: i,l,h
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integer :: i,l,r
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integer, parameter :: block=64
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l = 0
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l = 0
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h = N_det_generators
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r = N_det_generators
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do while(h-l >= block)
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do while(r-l > 1)
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i = ishft(h+l,-1)
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i = (r+l) / 2
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if(w(i+1) > v) then
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if(w(i) < v) then
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h = i-1
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l = i
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else
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else
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l = i+1
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r = i
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end if
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end if
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end do
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end do
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!DIR$ LOOP COUNT (64)
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do pt2_find_sample=l,h
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if(w(pt2_find_sample) >= v) then
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exit
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end if
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end do
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end function
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pt2_find_sample = r
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end function
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BEGIN_PROVIDER[ integer, pt2_J, (N_det_generators)]
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BEGIN_PROVIDER[ integer, pt2_J, (N_det_generators)]
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@ -284,8 +278,11 @@ end function
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d(i) = .true.
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d(i) = .true.
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pt2_J(i) = i
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pt2_J(i) = i
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end do
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end do
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call random_seed(put=(/3211,64,6566,321,65,321,654,65,321,6321,654,65,321,621,654,65,321,65,654,65,321,65/))
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call RANDOM_NUMBER(pt2_u)
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call RANDOM_NUMBER(pt2_u)
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call RANDOM_NUMBER(pt2_u)
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U = 0
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U = 0
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