program truncate_wf implicit none BEGIN_DOC ! Truncate the wave function END_DOC read_wf = .True. call routine end subroutine routine implicit none integer :: ndet_max integer(bit_kind), allocatable :: psi_det_tmp(:,:,:) double precision, allocatable :: psi_coef_tmp(:,:) integer :: i,j double precision :: accu(N_states) ndet_max=N_det do i = 1, n_det if (psi_average_norm_contrib_sorted(i) < 1.e-24) then ndet_max = i-1 exit endif enddo print *, "N_det = ", N_det, " -> ", ndet_max allocate(psi_det_tmp(N_int,2,ndet_max),psi_coef_tmp(ndet_max, N_states)) accu = 0.d0 do i = 1, ndet_max do j = 1, N_int psi_det_tmp(j,1,i) = psi_det_sorted(j,1,i) psi_det_tmp(j,2,i) = psi_det_sorted(j,2,i) enddo do j = 1, N_states psi_coef_tmp(i,j) = psi_coef_sorted(i,j) accu(j) += psi_coef_tmp(i,j) **2 enddo enddo do j = 1, N_states accu(j) = 1.d0/dsqrt(accu(j)) enddo do j = 1, N_states do i = 1, ndet_max psi_coef_tmp(i,j) = psi_coef_tmp(i,j) * accu(j) enddo enddo call save_wavefunction_general(ndet_max,N_states,psi_det_tmp,size(psi_coef_tmp,1),psi_coef_tmp) end