--- trunk/OOPSE/libmdtools/do_Forces.F90 2003/07/30 21:17:01 657 +++ trunk/OOPSE/libmdtools/do_Forces.F90 2003/08/07 00:47:33 669 @@ -4,7 +4,7 @@ !! @author Charles F. Vardeman II !! @author Matthew Meineke -!! @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 $ +!! @version $Id: do_Forces.F90,v 1.27 2003-08-07 00:47:33 chuckv Exp $, $Date: 2003-08-07 00:47:33 $, $Name: not supported by cvs2svn $, $Revision: 1.27 $ module do_Forces use force_globals @@ -235,7 +235,7 @@ 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") @@ -247,6 +247,7 @@ contains do_pot = do_pot_c do_stress = do_stress_c + ! Gather all information needed by all force loops: #ifdef IS_MPI @@ -263,7 +264,7 @@ contains endif #endif - + if (FF_RequiresPrepairCalc() .and. SimRequiresPrepairCalc()) then !! See if we need to update neighbor lists call checkNeighborList(nlocal, q, listSkin, update_nlist) @@ -795,6 +796,7 @@ contains r = sqrt(rijsq) + #ifdef IS_MPI if (tagRow(i) .eq. tagColumn(j)) then write(0,*) 'do_pair is doing', i , j, tagRow(i), tagColumn(j) @@ -826,9 +828,9 @@ contains integer :: nlocal real( kind = dp ) :: pot - if (FF_uses_EAM .and. SimUsesEAM()) then - call calc_EAM_preforce_Frho(nlocal,pot) - endif + if (FF_uses_EAM .and. SimUsesEAM()) then + call calc_EAM_preforce_Frho(nlocal,pot) + endif end subroutine do_preforce