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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 1.1.1.1 2003-03-21 17:42:12 mmeineke Exp $, |
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> |
!! @version $Id: neighborLists.F90,v 1.2 2003-04-04 19:57:01 mmeineke Exp $, |
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module neighborLists |
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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 saveNeighborList. |
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< |
real( kind = dp ), dimension(:,:), allocatable , save :: q0 |
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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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!! 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 saveNeighborList(q) |
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real(kind = dp ), dimension(:,:), intent(in) :: q |
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> |
subroutine saveNeighborList(natoms, q) |
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integer :: natoms |
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real(kind = dp ), dimension(3,natoms), intent(in) :: q |
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integer :: list_size |
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+ |
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!! get size of list |
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list_size = size(q) |
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list_size = natoms |
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if (.not. allocated(q0)) then |
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allocate(q0(3,list_size)) |
