| 4 |
|
|
| 5 |
|
!! @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 1.35 2003-10-29 20:41:39 mmeineke Exp $, $Date: 2003-10-29 20:41:39 $, $Name: not supported by cvs2svn $, $Revision: 1.35 $ |
| 8 |
|
|
| 9 |
|
module do_Forces |
| 10 |
|
use force_globals |
| 154 |
|
|
| 155 |
|
|
| 156 |
|
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 |
| 731 |
|
|
| 732 |
|
#endif |
| 733 |
|
|
| 733 |
– |
|
| 734 |
– |
|
| 734 |
|
end subroutine do_force_loop |
| 735 |
|
|
| 736 |
|
subroutine do_pair(i, j, rijsq, d, do_pot, do_stress, u_l, A, f, t, pot) |
| 783 |
|
call getElementProperty(atypes, me_j, "is_DP", is_DP_j) |
| 784 |
|
|
| 785 |
|
if ( is_DP_i .and. is_DP_j ) then |
| 787 |
– |
|
| 786 |
|
call do_dipole_pair(i, j, d, r, rijsq, pot, u_l, f, t, & |
| 787 |
|
do_pot, do_stress) |
| 788 |
|
if (FF_uses_RF .and. SimUsesRF()) then |
| 807 |
|
|
| 808 |
|
if (FF_uses_GB .and. SimUsesGB()) then |
| 809 |
|
|
| 810 |
+ |
|
| 811 |
|
call getElementProperty(atypes, me_i, "is_GB", is_GB_i) |
| 812 |
|
call getElementProperty(atypes, me_j, "is_GB", is_GB_j) |
| 813 |
|
|
