| 4 |
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|
| 5 |
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!! @author Charles F. Vardeman II |
| 6 |
|
!! @author Matthew Meineke |
| 7 |
< |
!! @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 $ |
| 7 |
> |
!! @version $Id: do_Forces.F90,v 1.34 2003-10-29 17:55:28 mmeineke Exp $, $Date: 2003-10-29 17:55:28 $, $Name: not supported by cvs2svn $, $Revision: 1.34 $ |
| 8 |
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|
| 9 |
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module do_Forces |
| 10 |
|
use force_globals |
| 129 |
|
if (FF_uses_LJ) then |
| 130 |
|
|
| 131 |
|
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) |
| 136 |
|
case default |
| 137 |
|
write(default_error,*) 'unknown LJ Mixing Policy!' |
| 138 |
|
thisStat = -1 |
| 732 |
|
#endif |
| 733 |
|
|
| 734 |
|
|
| 735 |
+ |
write(*,*) "In F, after: Tau = " |
| 736 |
+ |
write(*,*) tau(1), tau(2), tau(3) |
| 737 |
+ |
write(*,*) tau(4), tau(5), tau(6) |
| 738 |
+ |
write(*,*) tau(7), tau(8), tau(9) |
| 739 |
+ |
write(*,*) " " |
| 740 |
|
|
| 741 |
+ |
|
| 742 |
|
end subroutine do_force_loop |
| 743 |
|
|
| 744 |
|
subroutine do_pair(i, j, rijsq, d, do_pot, do_stress, u_l, A, f, t, pot) |
