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quantum_package/src/CISD/cisd_lapack.irp.f

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program cisd
implicit none
integer :: i
PROVIDE ref_bitmask_energy H_apply_buffer_allocated mo_bielec_integrals_in_map
call H_apply_cisd
double precision, allocatable :: eigvalues(:),eigvectors(:,:)
allocate(eigvalues(n_det),eigvectors(n_det,n_det))
print *, 'N_det = ', N_det
call lapack_diag(eigvalues,eigvectors,H_matrix_all_dets,n_det,n_det)
! print *, H_matrix_all_dets
print *, '---'
print *, 'HF:', HF_energy
print *, '---'
do i = 1,20
print *, 'energy(i) = ',eigvalues(i) + nuclear_repulsion
enddo
! print *, eigvectors(:,1)
deallocate(eigvalues,eigvectors)
end