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Bugs
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@ -20,13 +20,14 @@ double precision function binom(k,n)
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implicit none
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integer, intent(in) :: k,n
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double precision, save :: memo(0:20,0:20)
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!DEC$ ATTRIBUTES ALIGN : 32 :: memo
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integer, save :: ifirst
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double precision :: fact
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if (ifirst == 0) then
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ifirst = 1
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integer :: i,j
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do j=0,20
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do i=0,i
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do i=0,j
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memo(i,j) = fact(j)/(fact(i)*fact(j-i))
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enddo
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enddo
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@ -241,7 +241,6 @@ BEGIN_PROVIDER [ integer, two_e_density_num_max ]
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endif
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enddo
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print *, two_e_density_num_max
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enddo
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enddo
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@ -275,7 +274,7 @@ END_PROVIDER
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two_e_density_num = 0
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PROVIDE det
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PROVIDE det elec_alpha_num
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do k=1,det_num
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det_k = det_coef(k)
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@ -552,6 +551,7 @@ BEGIN_PROVIDER [ real, one_e_density_mo, (mo_active_num,mo_active_num,2) ]
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enddo
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real :: ckl, phase
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integer :: exc(4), det_exc
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PROVIDE mo_closed_num elec_num_2 elec_alpha_num
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do k=1,det_num
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do l=k,det_num
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ckl = det_coef(k)*det_coef(l)
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