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!! @author Charles F. Vardeman II |
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!! @author Matthew Meineke |
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< |
!! @version $Id: doForces.F90,v 1.51 2005-10-10 21:20:46 chuckv Exp $, $Date: 2005-10-10 21:20:46 $, $Name: not supported by cvs2svn $, $Revision: 1.51 $ |
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!! @version $Id: doForces.F90,v 1.53 2005-10-11 22:00:30 chuckv Exp $, $Date: 2005-10-11 22:00:30 $, $Name: not supported by cvs2svn $, $Revision: 1.53 $ |
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module doForces |
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if (.not. allocated(InteractionHash)) then |
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allocate(InteractionHash(nAtypes,nAtypes)) |
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+ |
else |
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deallocate(InteractionHash) |
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allocate(InteractionHash(nAtypes,nAtypes)) |
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endif |
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if (.not. allocated(atypeMaxCutoff)) then |
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allocate(atypeMaxCutoff(nAtypes)) |
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else |
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+ |
deallocate(atypeMaxCutoff) |
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allocate(atypeMaxCutoff(nAtypes)) |
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endif |
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logical :: GtypeFound |
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integer :: myStatus, nAtypes, i, j, istart, iend, jstart, jend |
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integer :: n_in_i, me_i, ia, g, atom1 |
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integer :: n_in_i, me_i, ia, g, atom1, ja, n_in_j,me_j |
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integer :: nGroupsInRow |
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integer :: nGroupsInCol |
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integer :: nGroupTypesRow,nGroupTypesCol |
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#ifdef IS_MPI |
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! We only allocate new storage if we are in MPI because Ncol /= Nrow |
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if(.not.allocated(groupToGtypeCol)) then |
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> |
if(.not.associated(groupToGtypeCol)) then |
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allocate(groupToGtypeCol(jend)) |
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else |
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deallocate(groupToGtypeCol) |
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allocate(groupToGtypeCol(jend)) |
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end if |
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if(.not.allocated(groupToGtypeCol)) then |
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> |
if(.not.associated(groupToGtypeCol)) then |
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allocate(groupToGtypeCol(jend)) |
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else |
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deallocate(groupToGtypeCol) |
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allocate(groupToGtypeCol(jend)) |
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end if |
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< |
if(.not.allocated(gtypeMaxCutoffCol)) then |
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> |
if(.not.associated(gtypeMaxCutoffCol)) then |
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allocate(gtypeMaxCutoffCol(jend)) |
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else |
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deallocate(gtypeMaxCutoffCol) |
