BEGIN_PROVIDER [double precision, one_e_act_dm_beta_mo_for_dft, (n_act_orb,n_act_orb,N_states)] implicit none BEGIN_DOC ! one_e_act_dm_beta_mo_for_dft = pure ACTIVE part of the ONE ELECTRON REDUCED DENSITY MATRIX for the BETA ELECTRONS END_DOC integer :: i,j,ii,jj,istate do istate = 1, N_states do ii = 1, n_act_orb i = list_act(ii) do jj = 1, n_act_orb j = list_act(jj) one_e_act_dm_beta_mo_for_dft(jj,ii,istate) = one_e_dm_mo_beta_for_dft(j,i,istate) enddo enddo enddo END_PROVIDER BEGIN_PROVIDER [double precision, one_e_act_dm_alpha_mo_for_dft, (n_act_orb,n_act_orb,N_states)] implicit none BEGIN_DOC ! one_e_act_dm_alpha_mo_for_dft = pure ACTIVE part of the ONE ELECTRON REDUCED DENSITY MATRIX for the ALPHA ELECTRONS END_DOC integer :: i,j,ii,jj,istate do istate = 1, N_states do ii = 1, n_act_orb i = list_act(ii) do jj = 1, n_act_orb j = list_act(jj) one_e_act_dm_alpha_mo_for_dft(jj,ii,istate) = one_e_dm_mo_alpha_for_dft(j,i,istate) enddo enddo enddo END_PROVIDER