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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 1.8 2003-07-15 22:22:41 mmeineke Exp $, $Date: 2003-07-15 22:22:41 $, $Name: not supported by cvs2svn $, $Revision: 1.8 $ |
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> |
!! @version $Id: calc_LJ_FF.F90,v 1.9 2003-07-16 16:40:03 chuckv Exp $, $Date: 2003-07-16 16:40:03 $, $Name: not supported by cvs2svn $, $Revision: 1.9 $ |
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module lj |
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use definitions |
119 |
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120 |
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if (.not. associated(ljMixed)) then |
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allocate(ljMixed(nAtypes, nAtypes)) |
122 |
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else |
123 |
< |
status = -1 |
124 |
< |
return |
125 |
< |
end if |
122 |
> |
endif |
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124 |
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rcut6 = LJ_rcut**6 |
125 |
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