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QuantumPackage/src/utils_complex/dump_mo_coef.irp.f
2020-02-19 12:14:16 -06:00

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