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!! Calculates Long Range forces Lennard-Jones interactions. |
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!! @author Charles F. Vardeman II |
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!! @author Matthew Meineke |
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< |
!! @version $Id: LJ.F90,v 1.9 2005-03-08 21:06:12 gezelter Exp $, $Date: 2005-03-08 21:06:12 $, $Name: not supported by cvs2svn $, $Revision: 1.9 $ |
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!! @version $Id: LJ.F90,v 1.10 2005-04-13 20:36:45 chuckv Exp $, $Date: 2005-04-13 20:36:45 $, $Name: not supported by cvs2svn $, $Revision: 1.10 $ |
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module lj |
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public :: newLJtype |
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public :: getSigma |
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public :: getEpsilon |
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+ |
public :: destroyLJTypes |
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contains |
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end subroutine do_lj_pair |
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< |
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< |
!! Calculates the mixing for sigma or epslon |
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> |
subroutine destroyLJTypes() |
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> |
if(allocated(ParameterMap)) deallocate(ParameterMap) |
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> |
if(allocated(MixingMap)) deallocate(MixingMap) |
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haveMixingMap = .false. |
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end subroutine destroyLJTypes |
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end module lj |
