mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-05 13:43:57 +01:00
25 lines
491 B
Fortran
25 lines
491 B
Fortran
program pouet
|
|
print*,'coucou'
|
|
read_wf = .True.
|
|
touch read_wf
|
|
print*,'m_knowles = ',m_knowles
|
|
call routine
|
|
|
|
end
|
|
subroutine routine
|
|
implicit none
|
|
integer :: i
|
|
double precision :: accu(2)
|
|
accu = 0.d0
|
|
do i = 1, nucl_num
|
|
accu(1) += integral_density_alpha_knowles_becke_per_atom(i)
|
|
accu(2) += integral_density_beta_knowles_becke_per_atom(i)
|
|
enddo
|
|
print*,'accu(1) = ',accu(1)
|
|
print*,'Nalpha = ',elec_alpha_num
|
|
print*,'accu(2) = ',accu(2)
|
|
print*,'Nalpha = ',elec_beta_num
|
|
|
|
|
|
end
|