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minor fix

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This commit is contained in:
Kevin Gasperich 2020-01-28 16:46:42 -06:00
parent 1dc9c3ed0b
commit aa23ecc6a6
1 changed files with 1 additions and 1 deletions
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src/mo_one_e_ints/mo_overlap.irp.f
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@ -53,7 +53,7 @@ BEGIN_PROVIDER [ complex*16, mo_overlap_complex,(mo_num,mo_num) ]
!$OMP mo_num,ao_num,lmax) !$OMP mo_num,ao_num,lmax)
do j=1,mo_num do j=1,mo_num
do i= 1,mo_num do i= 1,mo_num
mo_overlap(i,j) = (0.d0,0.d0) mo_overlap_complex(i,j) = (0.d0,0.d0)
do n = 1, lmax,4 do n = 1, lmax,4
do l = 1, ao_num do l = 1, ao_num
mo_overlap_complex(i,j) = mo_overlap_complex(i,j) + dconjg(mo_coef_complex(l,i)) * & mo_overlap_complex(i,j) = mo_overlap_complex(i,j) + dconjg(mo_coef_complex(l,i)) * &