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eplf/debug.irp.f

17 lines
339 B
Fortran

program debug
double precision :: ao_overlap
print *, ao_overlap(1,1)
integer :: i
do i=1,ao_prim_num(1)
print *, ao_expo(i,1), ao_coef(i,1)
enddo
print *, ''
print *, ao_overlap(1,5)
print *, ao_power(5,1:3)
do i=1,ao_prim_num(5)
print *, ao_expo(i,5), ao_coef(i,5)
enddo
print *, ''
print *, ao_overlap(5,5)
end