Fix #2411

cp2k · Nov 24, 2022 · d6dd56c · d6dd56c
1 parent 87cd5d3
commit d6dd56c
Showing 1 changed file with 8 additions and 2 deletions.
diff --git a/src/motion/rt_propagation.F b/src/motion/rt_propagation.F
@@ -462,8 +462,14 @@ SUBROUTINE rt_initial_guess(qs_env, force_env, rtp_control)
          qs_env%run_rtp = .TRUE.
          ALLOCATE (qs_env%rtp)
          CALL get_qs_env(qs_env, matrix_s=matrix_s)
-         CALL rt_prop_create(qs_env%rtp, qs_env%mos, qs_env%mpools, dft_control, matrix_s(1)%matrix, &
-                             rtp_control%linear_scaling)
+         IF (dft_control%do_admm) THEN
+            CPASSERT(ASSOCIATED(qs_env%admm_env))
+            CALL rt_prop_create(qs_env%rtp, qs_env%mos, qs_env%mpools, dft_control, matrix_s(1)%matrix, &
+                                rtp_control%linear_scaling, qs_env%admm_env%mos_aux_fit)
+         ELSE
+            CALL rt_prop_create(qs_env%rtp, qs_env%mos, qs_env%mpools, dft_control, matrix_s(1)%matrix, &
+                                rtp_control%linear_scaling)
+         END IF
 
       CASE (use_restart_wfn, use_rt_restart)
          CALL qs_energies_init(qs_env, .FALSE.)