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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 1.25 2003-07-24 19:57:35 chuckv Exp $, $Date: 2003-07-24 19:57:35 $, $Name: not supported by cvs2svn $, $Revision: 1.25 $ |
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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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module do_Forces |
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use force_globals |
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use gb_pair |
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use vector_class |
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use eam |
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use status |
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#ifdef IS_MPI |
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use mpiSimulation |
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#endif |
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return |
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end if |
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endif |
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if (FF_uses_EAM) then |
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call init_EAM_FF(my_status) |
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if (my_status /= 0) then |
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thisStat = -1 |
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return |
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end if |
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endif |
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if (FF_uses_GB) then |
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call check_gb_pair_FF(my_status) |
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return |
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endif |
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endif |
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havePolicies = .true. |
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if( haveRlist ) do_forces_initialized = .true. |
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< |
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> |
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end subroutine init_FF |
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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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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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error = -1 |
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return |
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end if |
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error = 0 |
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! Make sure we are properly initialized. |
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if (.not. do_forces_initialized) then |
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write(*,*) "Forces not initialized" |
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error = -1 |
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return |
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endif |
