mirror of
https://github.com/LCPQ/quantum_package
synced 2024-06-28 16:12:26 +02:00
21 lines
467 B
Forth
21 lines
467 B
Forth
program test mo_mono
|
|
implicit none
|
|
integer :: i, j
|
|
integer :: ortho
|
|
ortho = 1
|
|
do i=1,mo_tot_num
|
|
do j=1,i-1
|
|
if (abs(mo_overlap(i,j)) > 1.d-9) then
|
|
print '(I4,A,I4,2x,A, 2x,e16.8)' , i,',',j, ' : ', ao_overlap(i,j)
|
|
ortho = 0
|
|
endif
|
|
enddo
|
|
if (abs(1.d0-mo_overlap(i,j)) > 1.d-9) then
|
|
print '(I4,A,I4,2x,A, 2x,e16.8)' , i,',',j, ' : ', ao_overlap(i,j)
|
|
ortho = 0
|
|
endif
|
|
enddo
|
|
print *, 'Orthonormal : ', ortho
|
|
end
|
|
|