program det_svd implicit none BEGIN_DOC ! Computes the SVD of the Alpha x Beta determinant coefficient matrix END_DOC integer :: i,j read_wf = .True. TOUCH read_wf print *, 'SVD matrix before filling' print *, '=========================' print *, '' print *, 'N_det = ', N_det print *, 'N_det_alpha = ', N_det_alpha_unique print *, 'N_det_beta = ', N_det_beta_unique print *, '' ! do i=1,N_det_alpha_unique ! do j=1,N_det_beta_unique ! print *, i,j,psi_svd_matrix(i,j,:) ! enddo ! enddo print *, '' print *, 'Energy = ', ci_energy print *, '' print *, psi_svd_coefs(1:20,1) call generate_all_alpha_beta_det_products print *, '' print *, 'Energy = ', ci_energy print *, '' print *, 'SVD matrix after filling' print *, '========================' print *, '' print *, 'N_det = ', N_det print *, 'N_det_alpha = ', N_det_alpha_unique print *, 'N_det_beta = ', N_det_beta_unique print *, '' ! do i=1,N_det_alpha_unique ! do j=1,N_det_beta_unique ! print *, i,j,psi_svd_matrix(i,j,:) ! enddo ! enddo print *, '' print *, 'Energy = ', ci_energy print *, '' print *, psi_svd_coefs(1:20,1) ! call save_wavefunction end