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21 lines
467 B
FortranFixed
21 lines
467 B
FortranFixed
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program test mo_mono
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implicit none
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integer :: i, j
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integer :: ortho
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ortho = 1
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do i=1,mo_tot_num
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do j=1,i-1
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if (abs(mo_overlap(i,j)) > 1.d-9) then
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print '(I4,A,I4,2x,A, 2x,e16.8)' , i,',',j, ' : ', ao_overlap(i,j)
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ortho = 0
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endif
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enddo
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if (abs(1.d0-mo_overlap(i,j)) > 1.d-9) then
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print '(I4,A,I4,2x,A, 2x,e16.8)' , i,',',j, ' : ', ao_overlap(i,j)
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ortho = 0
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endif
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enddo
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print *, 'Orthonormal : ', ortho
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end
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