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!! @author Charles F. Vardeman II |
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!! @author Matthew Meineke |
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< |
!! @version $Id: doForces.F90,v 1.57 2005-10-12 21:00:45 gezelter Exp $, $Date: 2005-10-12 21:00:45 $, $Name: not supported by cvs2svn $, $Revision: 1.57 $ |
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!! @version $Id: doForces.F90,v 1.59 2005-10-17 19:12:34 gezelter Exp $, $Date: 2005-10-17 19:12:34 $, $Name: not supported by cvs2svn $, $Revision: 1.59 $ |
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module doForces |
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use sticky |
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use electrostatic_module |
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use reaction_field_module |
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< |
use gb_pair |
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use gayberne |
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use shapes |
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use vector_class |
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use eam |
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end if |
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endif |
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– |
if (FF_uses_GayBerne) then |
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call check_gb_pair_FF(my_status) |
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if (my_status .ne. 0) then |
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thisStat = -1 |
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haveSaneForceField = .false. |
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return |
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endif |
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– |
endif |
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if (.not. haveNeighborList) then |
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!! Create neighbor lists |
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call expandNeighborList(nLocal, my_status) |
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endif |
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if ( iand(iHash, GAYBERNE_LJ).ne.0 ) then |
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< |
! call do_gblj_pair(i, j, d, r, rijsq, sw, vpair, fpair, & |
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< |
! pot(VDW_POT), A, f, t, do_pot) |
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call do_gb_lj_pair(i, j, d, r, rijsq, sw, vpair, fpair, & |
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pot(VDW_POT), A, f, t, do_pot) |
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endif |
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if ( iand(iHash, EAM_PAIR).ne.0 ) then |
