mirror of
https://github.com/LCPQ/quantum_package
synced 2024-08-30 16:13:42 +02:00
16 lines
494 B
FortranFixed
16 lines
494 B
FortranFixed
|
program test
|
||
|
implicit none
|
||
|
integer :: i,j,k,l
|
||
|
double precision :: accu,accu2,get_mo_bielec_integral,accu3
|
||
|
accu = 0.d0
|
||
|
accu3 = 0.d0
|
||
|
do i = 1, elec_beta_num
|
||
|
do j = 1, elec_beta_num
|
||
|
accu += (2.d0 * get_mo_bielec_integral(i,j,i,j,mo_integrals_map) - get_mo_bielec_integral(i,j,j,i,mo_integrals_map) )
|
||
|
accu3 += (2.d0 * mo_bielec_integral_jj(i,j) - mo_bielec_integral_jj_exchange(i,j) )
|
||
|
enddo
|
||
|
enddo
|
||
|
print *,'closed EE 1 : ',accu
|
||
|
print *,'closed EE 2 : ',accu3
|
||
|
end
|