--- trunk/OOPSE/libmdtools/calc_sticky_pair.F90 2003/07/17 20:38:11 636 +++ trunk/OOPSE/libmdtools/calc_sticky_pair.F90 2003/08/27 16:16:01 727 @@ -9,7 +9,7 @@ !! @author Matthew Meineke !! @author Christopher Fennel !! @author J. Daniel Gezelter -!! @version $Id: calc_sticky_pair.F90,v 1.12 2003-07-17 20:38:11 gezelter Exp $, $Date: 2003-07-17 20:38:11 $, $Name: not supported by cvs2svn $, $Revision: 1.12 $ +!! @version $Id: calc_sticky_pair.F90,v 1.13 2003-08-27 16:16:01 tim Exp $, $Date: 2003-08-27 16:16:01 $, $Name: not supported by cvs2svn $, $Revision: 1.13 $ module sticky_pair @@ -111,8 +111,8 @@ contains real (kind=dp) :: rijtest, rjitest real (kind=dp) :: radcomxi, radcomyi, radcomzi real (kind=dp) :: radcomxj, radcomyj, radcomzj + integer :: id1, id2 - if (.not.sticky_initialized) then write(*,*) 'Sticky forces not initialized!' return @@ -343,10 +343,18 @@ contains f(1,atom2) = f(1,atom2) - fxradial f(2,atom2) = f(2,atom2) - fyradial f(3,atom2) = f(3,atom2) - fzradial +#endif + +#ifdef IS_MPI + id1 = tagRow(atom1) + id2 = tagColumn(atom2) +#else + id1 = atom1 + id2 = atom2 #endif if (do_stress) then - if (molMembershipList(atom1) .ne. molMembershipList(atom2)) then + if (molMembershipList(id1) .ne. molMembershipList(id2)) then ! because the d vector is the rj - ri vector, and ! because fxradial, fyradial, and fzradial are the