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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 1.26 2003-07-30 21:17:01 chuckv Exp $, $Date: 2003-07-30 21:17:01 $, $Name: not supported by cvs2svn $, $Revision: 1.26 $ |
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> |
!! @version $Id: do_Forces.F90,v 1.27 2003-08-07 00:47:33 chuckv Exp $, $Date: 2003-08-07 00:47:33 $, $Name: not supported by cvs2svn $, $Revision: 1.27 $ |
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module do_Forces |
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use force_globals |
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nlocal = getNlocal() |
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natoms = nlocal |
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#endif |
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< |
write(*,*) "Inside do_Force Loop" |
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> |
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call check_initialization(localError) |
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if ( localError .ne. 0 ) then |
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call handleError("do_force_loop","Not Initialized") |
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do_pot = do_pot_c |
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do_stress = do_stress_c |
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+ |
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! Gather all information needed by all force loops: |
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#ifdef IS_MPI |
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endif |
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#endif |
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< |
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> |
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if (FF_RequiresPrepairCalc() .and. SimRequiresPrepairCalc()) then |
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!! See if we need to update neighbor lists |
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call checkNeighborList(nlocal, q, listSkin, update_nlist) |
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r = sqrt(rijsq) |
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+ |
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#ifdef IS_MPI |
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if (tagRow(i) .eq. tagColumn(j)) then |
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write(0,*) 'do_pair is doing', i , j, tagRow(i), tagColumn(j) |
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integer :: nlocal |
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real( kind = dp ) :: pot |
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< |
if (FF_uses_EAM .and. SimUsesEAM()) then |
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< |
call calc_EAM_preforce_Frho(nlocal,pot) |
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< |
endif |
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> |
if (FF_uses_EAM .and. SimUsesEAM()) then |
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> |
call calc_EAM_preforce_Frho(nlocal,pot) |
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> |
endif |
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end subroutine do_preforce |
