mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-06-30 00:44:37 +02:00
42 lines
1.0 KiB
FortranFixed
42 lines
1.0 KiB
FortranFixed
![]() |
program print_ao_1e_integrals
|
||
|
call run
|
||
|
end
|
||
|
|
||
|
subroutine run
|
||
|
use map_module
|
||
|
implicit none
|
||
|
|
||
|
integer :: i,j
|
||
|
|
||
|
write(*,'(A)') 'ao_one_e_integrals_complex'
|
||
|
write(*,'(A)') '---------------'
|
||
|
do i=1,ao_num
|
||
|
write(*,'(200(E24.15))') ao_one_e_integrals_complex(i,:)
|
||
|
enddo
|
||
|
write(*,'(A)') 'ao_overlap_complex'
|
||
|
write(*,'(A)') '---------------'
|
||
|
do i=1,ao_num
|
||
|
write(*,'(200(E24.15))') ao_overlap_complex(i,:)
|
||
|
enddo
|
||
|
write(*,'(A)') 's_inv_complex'
|
||
|
write(*,'(A)') '---------------'
|
||
|
do i=1,ao_num
|
||
|
write(*,'(200(E24.15))') s_inv_complex(i,:)
|
||
|
enddo
|
||
|
write(*,'(A)') 's_half_inv_complex'
|
||
|
write(*,'(A)') '---------------'
|
||
|
do i=1,ao_num
|
||
|
write(*,'(200(E24.15))') s_half_inv_complex(i,:)
|
||
|
enddo
|
||
|
write(*,'(A)') 's_half_complex'
|
||
|
write(*,'(A)') '---------------'
|
||
|
do i=1,ao_num
|
||
|
write(*,'(200(E24.15))') s_half_complex(i,:)
|
||
|
enddo
|
||
|
write(*,'(A)') 'ao_ortho_canonical_coef_complex'
|
||
|
write(*,'(A)') '---------------'
|
||
|
do i=1,ao_num
|
||
|
write(*,'(200(E24.15))') ao_ortho_canonical_coef_complex(i,:)
|
||
|
enddo
|
||
|
end
|