diff --git a/src/determinants/cas_one_e_rdm.irp.f b/src/determinants/cas_one_e_rdm.irp.f deleted file mode 100644 index 0471bde6..00000000 --- a/src/determinants/cas_one_e_rdm.irp.f +++ /dev/null @@ -1,37 +0,0 @@ - - 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(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(j,i,istate) - enddo - enddo - enddo - -END_PROVIDER -