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Added tests for AOs

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Anthony Scemama 2014-04-10 23:01:15 +02:00
parent bc5340a751
commit 4a3e16a5ae
2 changed files with 93668 additions and 0 deletions
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src/AOs/tests/test_overlap.irp.f Normal file
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program test_normalization
implicit none
integer :: i,j
character*(64), parameter :: f = '(i3.3,a,i3.3,a3,F12.8)'
do j=1,ao_num
do i=1,ao_num
if (abs(ao_overlap(i,j)) > 1.d-6) then
print f, i,'_',j, ' : ', ao_overlap(i,j)
endif
enddo
enddo
end

93656
src/AOs/tests/test_overlap.ref Normal file
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