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quantum_package/src/Dets/truncate_wf.irp.f
2014-09-17 12:27:04 +02:00

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program cisd
implicit none
integer :: i,k
double precision, allocatable :: pt2(:), norm_pert(:), H_pert_diag(:)
integer :: N_st, degree
N_det=10000
do i=1,N_det
do k=1,N_int
psi_det(k,1,i) = psi_det_sorted(k,1,i)
psi_det(k,2,i) = psi_det_sorted(k,2,i)
enddo
psi_coef(k,:) = psi_coef_sorted(k,:)
enddo
TOUCH psi_det psi_coef psi_det_sorted psi_coef_sorted psi_average_norm_contrib_sorted N_det
call save_wavefunction
end