| 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 1.30 2003-08-26 20:37:30 tim Exp $, $Date: 2003-08-26 20:37:30 $, $Name: not supported by cvs2svn $, $Revision: 1.30 $ |
| 7 |
> |
!! @version $Id: do_Forces.F90,v 1.37 2003-11-21 19:31:05 chrisfen Exp $, $Date: 2003-11-21 19:31:05 $, $Name: not supported by cvs2svn $, $Revision: 1.37 $ |
| 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" |
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thisStat = -1 |
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return |
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end if |
| 231 |
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integer :: listerror, error |
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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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| 444 |
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#ifdef IS_MPI |
| 445 |
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| 446 |
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if (update_nlist) then |
| 447 |
– |
|
| 447 |
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!! save current configuration, construct neighbor list, |
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!! and calculate forces |
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call saveNeighborList(nlocal, q) |
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#else |
| 510 |
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|
| 511 |
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if (update_nlist) then |
| 512 |
< |
|
| 512 |
> |
|
| 513 |
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! save current configuration, contruct neighbor list, |
| 514 |
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! and calculate forces |
| 515 |
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call saveNeighborList(natoms, q) |
| 728 |
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endif |
| 729 |
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| 730 |
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#endif |
| 732 |
– |
|
| 733 |
– |
|
| 731 |
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| 732 |
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end subroutine do_force_loop |
| 733 |
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