| 4 |
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| 5 |
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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 1.35 2003-10-29 20:41:39 mmeineke Exp $, $Date: 2003-10-29 20:41:39 $, $Name: not supported by cvs2svn $, $Revision: 1.35 $ |
| 8 |
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| 9 |
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module do_Forces |
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use force_globals |
| 129 |
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if (FF_uses_LJ) then |
| 130 |
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| 131 |
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select case (LJMIXPOLICY) |
| 132 |
< |
case (1) |
| 133 |
< |
call init_lj_FF(1, my_status) |
| 134 |
< |
case (2) |
| 135 |
< |
call init_lj_FF(2, my_status) |
| 132 |
> |
case (LB_MIXING_RULE) |
| 133 |
> |
call init_lj_FF(LB_MIXING_RULE, my_status) |
| 134 |
> |
case (EXPLICIT_MIXING_RULE) |
| 135 |
> |
call init_lj_FF(EXPLICIT_MIXING_RULE, my_status) |
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case default |
| 137 |
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write(default_error,*) 'unknown LJ Mixing Policy!' |
| 138 |
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thisStat = -1 |
| 731 |
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| 732 |
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#endif |
| 733 |
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| 734 |
– |
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| 735 |
– |
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| 734 |
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end subroutine do_force_loop |
| 735 |
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| 736 |
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subroutine do_pair(i, j, rijsq, d, do_pot, do_stress, u_l, A, f, t, pot) |
