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root/group/trunk/OOPSE/libmdtools/simulation_module.F90
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Comparing trunk/OOPSE/libmdtools/simulation_module.F90 (file contents):
Revision 482 by chuckv, Tue Apr 8 22:38:43 2003 UTC vs.
Revision 483 by gezelter, Wed Apr 9 04:06:43 2003 UTC

# Line 68 | Line 68 | contains
68   contains
69    
70    subroutine SimulationSetup(setThisSim, nComponents, c_idents, &
71 <       CnLocalExcludes, CexcludesLocal, CnGlobalExcludes, CexcludesGlobal, CmolMembership, &
71 >       CnLocalExcludes, CexcludesLocal, CnGlobalExcludes, CexcludesGlobal, &
72 >       CmolMembership, &
73         status)    
74  
75      type (simtype) :: setThisSim
# Line 182 | Line 183 | contains
183         excludesGlobal(i) = CexcludesGlobal(i)
184      enddo
185  
186 <    molMemberShipList = CmolMembership
186 >    do i = 1, nComponents
187 >       molMemberShipList(i) = CmolMembership(i)
188 >       ! write(0,*) 'molMembershipList(',i,') = ', molMemberShipList(i)
189 >    enddo
190  
191      if (status == 0) simulation_setup_complete = .true.
192      
# Line 360 | Line 364 | contains
364    subroutine FreeSimGlobals()
365      
366      !We free in the opposite order in which we allocate in.
367 <    
367 >
368 >    if (allocated(molMembershipList)) deallocate(molMembershipList)    
369      if (allocated(excludesGlobal)) deallocate(excludesGlobal)
370      if (allocated(excludesLocal)) deallocate(excludesLocal)
371 <    if (allocated(molMembershipList)) deallocate(molMembershipList)
371 >
372    end subroutine FreeSimGlobals
373  
374    pure function getNlocal() result(nlocal)

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