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!! @author Charles F. Vardeman II |
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!! @author Matthew Meineke |
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!! @version $Id: do_Forces.F90,v 1.32 2003-10-28 16:03:35 gezelter Exp $, $Date: 2003-10-28 16:03:35 $, $Name: not supported by cvs2svn $, $Revision: 1.32 $ |
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!! @version $Id: do_Forces.F90,v 1.36 2003-10-30 18:59:20 gezelter Exp $, $Date: 2003-10-30 18:59:20 $, $Name: not supported by cvs2svn $, $Revision: 1.36 $ |
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module do_Forces |
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use force_globals |
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if (FF_uses_LJ) then |
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select case (LJMIXPOLICY) |
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case (1) |
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call init_lj_FF(1, my_status) |
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case (2) |
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call init_lj_FF(2, my_status) |
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case (LB_MIXING_RULE) |
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call init_lj_FF(LB_MIXING_RULE, my_status) |
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case (EXPLICIT_MIXING_RULE) |
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call init_lj_FF(EXPLICIT_MIXING_RULE, my_status) |
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case default |
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write(default_error,*) 'unknown LJ Mixing Policy!' |
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thisStat = -1 |
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integer :: listerror, error |
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integer :: localError |
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real(kind=dp) :: listSkin = 1.0 |
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real(kind=dp) :: listSkin = 1.0 |
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!! initialize local variables |
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#endif |
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– |
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– |
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end subroutine do_force_loop |
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subroutine do_pair(i, j, rijsq, d, do_pot, do_stress, u_l, A, f, t, pot) |