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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 1.6 2005-01-12 22:40:44 gezelter Exp $, $Date: 2005-01-12 22:40:44 $, $Name: not supported by cvs2svn $, $Revision: 1.6 $ |
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!! @version $Id: LJ.F90,v 1.7 2005-01-14 20:31:16 gezelter Exp $, $Date: 2005-01-14 20:31:16 $, $Name: not supported by cvs2svn $, $Revision: 1.7 $ |
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module lj |
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!! Calculates the mixing for sigma or epslon |
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end module lj |
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subroutine newLJtype(c_ident, sigma, epsilon, status) |
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use lj, ONLY : module_newLJtype => newLJtype |
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integer, parameter :: DP = selected_real_kind(15) |
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integer,intent(inout) :: c_ident |
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real(kind=dp),intent(inout) :: sigma |
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real(kind=dp),intent(inout) :: epsilon |
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integer,intent(inout) :: status |
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call module_newLJtype(c_ident, sigma, epsilon, status) |
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end subroutine newLJtype |
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subroutine useGeometricMixing() |
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use lj, ONLY: module_useGeometricMixing => useGeometricMixing |
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call module_useGeometricMixing() |
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return |
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end subroutine useGeometricMixing |
