--- trunk/OOPSE/libmdtools/simulation_module.F90 2003/04/08 22:38:43 482 +++ trunk/OOPSE/libmdtools/simulation_module.F90 2003/04/09 04:06:43 483 @@ -68,7 +68,8 @@ contains contains subroutine SimulationSetup(setThisSim, nComponents, c_idents, & - CnLocalExcludes, CexcludesLocal, CnGlobalExcludes, CexcludesGlobal, CmolMembership, & + CnLocalExcludes, CexcludesLocal, CnGlobalExcludes, CexcludesGlobal, & + CmolMembership, & status) type (simtype) :: setThisSim @@ -182,7 +183,10 @@ contains excludesGlobal(i) = CexcludesGlobal(i) enddo - molMemberShipList = CmolMembership + do i = 1, nComponents + molMemberShipList(i) = CmolMembership(i) + ! write(0,*) 'molMembershipList(',i,') = ', molMemberShipList(i) + enddo if (status == 0) simulation_setup_complete = .true. @@ -360,10 +364,11 @@ contains subroutine FreeSimGlobals() !We free in the opposite order in which we allocate in. - + + if (allocated(molMembershipList)) deallocate(molMembershipList) if (allocated(excludesGlobal)) deallocate(excludesGlobal) if (allocated(excludesLocal)) deallocate(excludesLocal) - if (allocated(molMembershipList)) deallocate(molMembershipList) + end subroutine FreeSimGlobals pure function getNlocal() result(nlocal)