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!! @author Charles F. Vardeman II |
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!! @author Matthew Meineke |
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!! @version $Id: do_Forces.F90,v 1.42 2004-01-05 22:12:11 chuckv Exp $, $Date: 2004-01-05 22:12:11 $, $Name: not supported by cvs2svn $, $Revision: 1.42 $ |
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!! @version $Id: do_Forces.F90,v 1.43 2004-01-05 22:18:52 chuckv Exp $, $Date: 2004-01-05 22:18:52 $, $Name: not supported by cvs2svn $, $Revision: 1.43 $ |
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module do_Forces |
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use force_globals |
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real( kind = DP ) :: rijsq |
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real(kind=dp),dimension(3) :: d |
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real(kind=dp) :: rfpot, mu_i, virial |
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integer :: me_i |
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integer :: me_i, me_j |
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logical :: is_dp_i |
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integer :: neighborListSize |
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integer :: listerror, error |
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integer :: localError |
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integer :: propPack_i, propPack_j |
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real(kind=dp) :: listSkin = 1.0 |
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#ifdef IS_MPI |
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if (.not.allocated(propertyMapI)) then |
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allocate(propertyMapI(5,getNrow()) |
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allocate(propertyMapI(5,nrow)) |
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endif |
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do i = 1, nrow |
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me_i = atid_row(i) |
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#else |
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if (.not.allocated(propertyMapI)) then |
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allocate(propertyMapI(5,getNlocal()) |
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allocate(propertyMapI(5,nlocal)) |
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endif |
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do i = 1, natoms |
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#ifdef IS_MPI |
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if (.not.allocated(propertyMapJ)) then |
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allocate(propertyMapJ(5,getNcol()) |
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allocate(propertyMapJ(5,ncol)) |
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endif |
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do j = 1, ncol |
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me_j = atid_col(j) |
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#else |
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if (.not.allocated(propertyMapJ)) then |
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allocate(propertyMapJ(5,getNlocal()) |
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allocate(propertyMapJ(5,nlocal)) |
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endif |
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do j = 1, natoms |
