--- trunk/OOPSE/libmdtools/do_Forces.F90 2003/07/24 19:57:35 650 +++ trunk/OOPSE/libmdtools/do_Forces.F90 2003/07/30 21:17:01 657 @@ -4,7 +4,7 @@ !! @author Charles F. Vardeman II !! @author Matthew Meineke -!! @version $Id: do_Forces.F90,v 1.25 2003-07-24 19:57:35 chuckv Exp $, $Date: 2003-07-24 19:57:35 $, $Name: not supported by cvs2svn $, $Revision: 1.25 $ +!! @version $Id: do_Forces.F90,v 1.26 2003-07-30 21:17:01 chuckv Exp $, $Date: 2003-07-30 21:17:01 $, $Name: not supported by cvs2svn $, $Revision: 1.26 $ module do_Forces use force_globals @@ -19,6 +19,7 @@ module do_Forces use gb_pair use vector_class use eam + use status #ifdef IS_MPI use mpiSimulation #endif @@ -142,6 +143,17 @@ contains return end if endif + + + if (FF_uses_EAM) then + call init_EAM_FF(my_status) + if (my_status /= 0) then + thisStat = -1 + return + end if + endif + + if (FF_uses_GB) then call check_gb_pair_FF(my_status) @@ -162,10 +174,11 @@ contains return endif endif + havePolicies = .true. if( haveRlist ) do_forces_initialized = .true. - + end subroutine init_FF @@ -222,9 +235,10 @@ contains nlocal = getNlocal() natoms = nlocal #endif - + write(*,*) "Inside do_Force Loop" call check_initialization(localError) if ( localError .ne. 0 ) then + call handleError("do_force_loop","Not Initialized") error = -1 return end if @@ -877,6 +891,7 @@ contains error = 0 ! Make sure we are properly initialized. if (.not. do_forces_initialized) then + write(*,*) "Forces not initialized" error = -1 return endif