BEGIN_PROVIDER [double precision, htilde_matrix_elmt_bi_ortho, (N_det,N_det)] BEGIN_DOC ! htilde_matrix_elmt_bi_ortho(j,i) = ! ! WARNING !!!!!!!!! IT IS NOT HERMITIAN !!!!!!!!! END_DOC implicit none integer :: i, j double precision :: htot PROVIDE N_int i = 1 j = 1 call htilde_mu_mat_opt_bi_ortho_tot(psi_det(1,1,j), psi_det(1,1,i), N_int, htot) !$OMP PARALLEL DO SCHEDULE(GUIDED) DEFAULT(NONE) PRIVATE(i,j, htot) & !$OMP SHARED (N_det, psi_det, N_int,htilde_matrix_elmt_bi_ortho) do i = 1, N_det do j = 1, N_det ! < J | Htilde | I > call htilde_mu_mat_opt_bi_ortho_tot(psi_det(1,1,j), psi_det(1,1,i), N_int, htot) htilde_matrix_elmt_bi_ortho(j,i) = htot enddo enddo !$OMP END PARALLEL DO END_PROVIDER ! --- BEGIN_PROVIDER [double precision, htilde_matrix_elmt_bi_ortho_tranp, (N_det,N_det)] implicit none integer ::i,j do i = 1, N_det do j = 1, N_det htilde_matrix_elmt_bi_ortho_tranp(j,i) = htilde_matrix_elmt_bi_ortho(i,j) enddo enddo END_PROVIDER