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!! Corresponds to the force field defined in lj_FF.cpp |
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!! @author Charles F. Vardeman II |
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!! @author Matthew Meineke |
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< |
!! @version $Id: calc_LJ_FF.F90,v 1.9 2003-03-12 22:27:59 gezelter Exp $, $Date: 2003-03-12 22:27:59 $, $Name: not supported by cvs2svn $, $Revision: 1.9 $ |
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> |
!! @version $Id: calc_LJ_FF.F90,v 1.10 2003-03-17 20:42:57 gezelter Exp $, $Date: 2003-03-17 20:42:57 $, $Name: not supported by cvs2svn $, $Revision: 1.10 $ |
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module lj |
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use simulation |
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if ((mix_Policy == "standard") .or. (mix_Policy == "LB")) then |
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LJ_Mixing_Policy = LB_Mixing_Rule |
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else |
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< |
if (mix_Policy == "explicit") then |
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> |
if (mix_Policy == "EXPLICIT") then |
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LJ_Mixing_Policy = Explicit_Mixing_Rule |
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else |
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write(*,*) 'Unknown Mixing Policy!' |
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return |
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endif |
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endif |
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< |
|
| 65 |
> |
|
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status = 0 |
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call createMixingList(myStatus) |
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if (myStatus /= 0) then |
