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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 1.3 2004-10-22 21:20:53 gezelter Exp $, $Date: 2004-10-22 21:20:53 $, $Name: not supported by cvs2svn $, $Revision: 1.3 $ |
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!! @version $Id: doForces.F90,v 1.7 2004-11-04 16:20:28 gezelter Exp $, $Date: 2004-11-04 16:20:28 $, $Name: not supported by cvs2svn $, $Revision: 1.7 $ |
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module doForces |
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use force_globals |
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use charge_charge |
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use reaction_field |
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use gb_pair |
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+ |
use shapes |
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use vector_class |
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use eam |
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use status |
865 |
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me_i = atid(i) |
866 |
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me_j = atid(j) |
867 |
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#endif |
868 |
+ |
|
869 |
+ |
write(*,*) i, j, me_i, me_j |
870 |
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871 |
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if (FF_uses_LennardJones .and. SIM_uses_LennardJones) then |
872 |
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928 |
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929 |
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endif |
930 |
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931 |
+ |
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932 |
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write(*,*) PropertyMap(me_i)%is_Shape,PropertyMap(me_j)%is_Shape |
933 |
+ |
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934 |
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if (FF_uses_Shapes .and. SIM_uses_Shapes) then |
929 |
– |
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935 |
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if ( PropertyMap(me_i)%is_Shape .and. & |
936 |
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PropertyMap(me_j)%is_Shape ) then |
937 |
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call do_shape_pair(i, j, d, r, rijsq, sw, vpair, fpair, & |
938 |
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pot, u_l, f, t, do_pot) |
938 |
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pot, A, f, t, do_pot) |
939 |
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endif |
940 |
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941 |
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endif |