--- trunk/OOPSE/libmdtools/do_Forces.F90 2003/08/13 21:20:20 694 +++ trunk/OOPSE/libmdtools/do_Forces.F90 2003/10/29 20:41:39 843 @@ -4,7 +4,7 @@ !! @author Charles F. Vardeman II !! @author Matthew Meineke -!! @version $Id: do_Forces.F90,v 1.29 2003-08-13 21:20:20 chuckv Exp $, $Date: 2003-08-13 21:20:20 $, $Name: not supported by cvs2svn $, $Revision: 1.29 $ +!! @version $Id: do_Forces.F90,v 1.35 2003-10-29 20:41:39 mmeineke Exp $, $Date: 2003-10-29 20:41:39 $, $Name: not supported by cvs2svn $, $Revision: 1.35 $ module do_Forces use force_globals @@ -154,8 +154,9 @@ contains if (FF_uses_EAM) then - call init_EAM_FF(my_status) + call init_EAM_FF(my_status) if (my_status /= 0) then + write(*,*) "init_EAM_FF returned a bad status" thisStat = -1 return end if @@ -730,8 +731,6 @@ contains #endif - - end subroutine do_force_loop subroutine do_pair(i, j, rijsq, d, do_pot, do_stress, u_l, A, f, t, pot) @@ -784,7 +783,6 @@ contains call getElementProperty(atypes, me_j, "is_DP", is_DP_j) if ( is_DP_i .and. is_DP_j ) then - call do_dipole_pair(i, j, d, r, rijsq, pot, u_l, f, t, & do_pot, do_stress) if (FF_uses_RF .and. SimUsesRF()) then @@ -809,6 +807,7 @@ contains if (FF_uses_GB .and. SimUsesGB()) then + call getElementProperty(atypes, me_i, "is_GB", is_GB_i) call getElementProperty(atypes, me_j, "is_GB", is_GB_j)