mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-10-18 14:01:43 +02:00
23 lines
414 B
Fortran
23 lines
414 B
Fortran
program print_mo_coef
|
|
call run
|
|
end
|
|
|
|
subroutine run
|
|
use map_module
|
|
implicit none
|
|
|
|
integer ::i,j,k,l
|
|
|
|
provide mo_coef_complex
|
|
complex*16 :: tmp_cmplx
|
|
! complex*16 :: get_two_e_integral_complex, tmp_cmplx
|
|
do i=1,ao_num
|
|
do j=1,mo_num
|
|
tmp_cmplx = mo_coef_complex(i,j)
|
|
if (cdabs(tmp_cmplx).gt.1.d-10) then
|
|
print'(2(I4),2(E23.15))',i,j,tmp_cmplx
|
|
endif
|
|
enddo
|
|
enddo
|
|
end
|