eplf/debug.irp.f

program debug
 implicit none
 double precision :: ao_overlap
 integer :: i,j
 do i=1,ao_num
  do j=1,ao_num
   print *, i,j, ao_overlap_matrix(i,j)
  enddo
 enddo
end
Obara Saika for primitive overlap integral 2009-05-11 22:17:21 +02:00			`program debug`
Provide overlap matrix 2009-05-12 00:02:55 +02:00			`implicit none`
Integral over contracted basis functions OK. 2009-05-11 23:43:45 +02:00			`double precision :: ao_overlap`
Provide overlap matrix 2009-05-12 00:02:55 +02:00			`integer :: i,j`
			`do i=1,ao_num`
			`do j=1,ao_num`
			`print *, i,j, ao_overlap_matrix(i,j)`
			`enddo`
Integral over contracted basis functions OK. 2009-05-11 23:43:45 +02:00			`enddo`
Obara Saika for primitive overlap integral 2009-05-11 22:17:21 +02:00			`end`