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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 1.59 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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!! @version $Id: doForces.F90,v 1.60 2005-10-18 15:01:42 chrisfen Exp $, $Date: 2005-10-18 15:01:42 $, $Name: not supported by cvs2svn $, $Revision: 1.60 $ |
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module doForces |
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use lj |
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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 gayberne |
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use shapes |
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use vector_class |
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haveSaneForceField = .true. |
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!! check to make sure the reaction field setting makes sense |
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if (FF_uses_Dipoles) then |
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if (electrostaticSummationMethod == REACTION_FIELD) then |
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dielect = getDielect() |
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call initialize_rf(dielect) |
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endif |
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else |
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if (electrostaticSummationMethod == REACTION_FIELD) then |
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write(default_error,*) 'Using Reaction Field with no dipoles? Huh?' |
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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 (FF_uses_EAM) then |
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call init_EAM_FF(my_status) |
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if (my_status /= 0) then |
