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!! @author Charles F. Vardeman II |
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!! @author Matthew Meineke |
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!! @author J. Daniel Gezelter |
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!! @version $Id: neighborLists.F90,v 1.3 2003-03-12 19:10:54 gezelter Exp $, |
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!! @version $Id: neighborLists.F90,v 1.4 2003-03-13 17:45:54 gezelter Exp $, |
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module neighborLists |
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use definitions |
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#ifdef IS_MPI |
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use mpiSimulation |
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!! Neighbor list for atom i. |
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integer, dimension(:),public, pointer :: list => null() |
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!! Position array of previous positions for check. Allocated first time |
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!! into save_neighborList. |
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!! into saveNeighborList. |
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real( kind = dp ), dimension(:,:), allocatable , save :: q0 |
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!! Current list size |
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integer, save :: listSize |
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!--------------MODULE ACCESS--------------------------> |
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public :: expandNeighborList |
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public :: checkNeighborList |
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public :: save_neighborList |
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public :: saveNeighborList |
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public :: getNeighborListSize |
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contains |
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!! Saves neighbor list for comparison in check. |
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!! Save_neighborList will work even if the number of |
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!! local atoms has changed. |
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subroutine save_neighborList(q) |
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subroutine saveNeighborList(q) |
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real(kind = dp ), dimension(:,:), intent(in) :: q |
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integer :: list_size |
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allocate(q0(3,list_size)) |
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endif |
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q0 = q |
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end subroutine save_neighborList |
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end subroutine saveNeighborList |
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function getNeighborListSize() result(returnListSize) |
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integer :: returnListSize |
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returnListSize = listSize |
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end function getNeighborListSize |
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end module neighborLists |
