| 4 |
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| 5 |
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!! @author Charles F. Vardeman II |
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!! @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 $ |
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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 $ |
| 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 |
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if (my_status /= 0) then |
| 159 |
+ |
write(*,*) "init_EAM_FF returned a bad status" |
| 160 |
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thisStat = -1 |
| 161 |
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return |
| 162 |
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end if |
| 231 |
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integer :: listerror, error |
| 232 |
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integer :: localError |
| 233 |
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| 234 |
< |
real(kind=dp) :: listSkin = 1.0 |
| 234 |
< |
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| 234 |
> |
real(kind=dp) :: listSkin = 1.0 |
| 235 |
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| 236 |
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!! initialize local variables |
| 237 |
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| 730 |
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| 731 |
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#endif |
| 732 |
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| 733 |
– |
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| 734 |
– |
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| 733 |
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end subroutine do_force_loop |
| 734 |
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| 735 |
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subroutine do_pair(i, j, rijsq, d, do_pot, do_stress, u_l, A, f, t, pot) |
| 782 |
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call getElementProperty(atypes, me_j, "is_DP", is_DP_j) |
| 783 |
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| 784 |
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if ( is_DP_i .and. is_DP_j ) then |
| 787 |
– |
|
| 785 |
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call do_dipole_pair(i, j, d, r, rijsq, pot, u_l, f, t, & |
| 786 |
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do_pot, do_stress) |
| 787 |
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if (FF_uses_RF .and. SimUsesRF()) then |
| 806 |
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| 807 |
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if (FF_uses_GB .and. SimUsesGB()) then |
| 808 |
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| 809 |
+ |
|
| 810 |
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call getElementProperty(atypes, me_i, "is_GB", is_GB_i) |
| 811 |
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call getElementProperty(atypes, me_j, "is_GB", is_GB_j) |
| 812 |
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