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QuantumPackage/plugins/local/basis_correction/test_chol_bas.irp.f
2024-05-23 14:45:33 +02:00

19 lines
466 B
Fortran

program pouet
implicit none
call test
end
subroutine test
implicit none
! provide mos_times_cholesky_r1
! provide mos_times_cholesky_r2
integer :: ipoint
double precision :: accu,weight
accu = 0.d0
do ipoint = 1, n_points_final_grid
weight = final_weight_at_r_vector(ipoint)
! accu += dabs(mu_of_r_hf(ipoint) - mu_of_r_hf_old(ipoint)) * weight
accu += dabs(f_hf_cholesky_sparse(ipoint) - f_hf_cholesky(ipoint)) * weight
enddo
print*,'accu = ',accu
end