diff --git a/src/Davidson/diagonalize_restart_and_save_lowest_state.irp.f b/src/Davidson/diagonalize_restart_and_save_lowest_state.irp.f index 11c98034..0e379aae 100644 --- a/src/Davidson/diagonalize_restart_and_save_lowest_state.irp.f +++ b/src/Davidson/diagonalize_restart_and_save_lowest_state.irp.f @@ -8,6 +8,10 @@ end subroutine routine implicit none print*,'N_det = ',N_det + PROVIDE H_apply_buffer_allocated + if (s2_eig) then + call make_s2_eigenfunction + endif call diagonalize_CI integer :: igood_state igood_state=1 diff --git a/src/FourIdx/four_index_block.irp.f b/src/FourIdx/four_index_block.irp.f index 46f6e991..633905af 100644 --- a/src/FourIdx/four_index_block.irp.f +++ b/src/FourIdx/four_index_block.irp.f @@ -289,7 +289,7 @@ subroutine four_index_transform_block(map_a,map_c,matrix_B,LDB, & enddo !$OMP END DO - deallocate(key,value,V,T) + deallocate(key,value,V,T,T2d,V2d,U) !$OMP END PARALLEL call map_merge(map_c)