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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 1.12 2003-03-18 16:46:47 gezelter Exp $, $Date: 2003-03-18 16:46:47 $, $Name: not supported by cvs2svn $, $Revision: 1.12 $ |
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> |
!! @version $Id: calc_LJ_FF.F90,v 1.13 2003-03-18 19:09:12 gezelter Exp $, $Date: 2003-03-18 19:09:12 $, $Name: not supported by cvs2svn $, $Revision: 1.13 $ |
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module lj |
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use definitions |
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integer, intent(in) :: atom1, atom2 |
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real( kind = dp ), intent(in) :: rij, r2 |
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real( kind = dp ) :: pot |
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real( kind = dp ), dimension(3, getNlocal()) :: f |
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real( kind = dp ), dimension(:,:) :: f |
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real( kind = dp ), intent(in), dimension(3) :: d |
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logical, intent(in) :: do_pot, do_stress |
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