| 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 1.29 2003-08-13 21:20:20 chuckv Exp $, $Date: 2003-08-13 21:20:20 $, $Name: not supported by cvs2svn $, $Revision: 1.29 $ |
| 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 |
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use force_globals |
| 154 |
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|
| 155 |
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|
| 156 |
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if (FF_uses_EAM) then |
| 157 |
< |
call init_EAM_FF(my_status) |
| 157 |
> |
call init_EAM_FF(my_status) |
| 158 |
|
if (my_status /= 0) then |
| 159 |
+ |
write(*,*) "init_EAM_FF returned a bad status" |
| 160 |
|
thisStat = -1 |
| 161 |
|
return |
| 162 |
|
end if |
| 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 |
|
|
| 791 |
|
call getElementProperty(atypes, me_j, "is_DP", is_DP_j) |
| 792 |
|
|
| 793 |
|
if ( is_DP_i .and. is_DP_j ) then |
| 787 |
– |
|
| 794 |
|
call do_dipole_pair(i, j, d, r, rijsq, pot, u_l, f, t, & |
| 795 |
|
do_pot, do_stress) |
| 796 |
|
if (FF_uses_RF .and. SimUsesRF()) then |
| 815 |
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|
| 816 |
|
if (FF_uses_GB .and. SimUsesGB()) then |
| 817 |
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|
| 818 |
+ |
|
| 819 |
|
call getElementProperty(atypes, me_i, "is_GB", is_GB_i) |
| 820 |
|
call getElementProperty(atypes, me_j, "is_GB", is_GB_j) |
| 821 |
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|
