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!! @author Charles F. Vardeman II |
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!! @author Matthew Meineke |
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< |
!! @version $Id: doForces.F90,v 1.91 2007-07-12 23:20:00 chuckv Exp $, $Date: 2007-07-12 23:20:00 $, $Name: not supported by cvs2svn $, $Revision: 1.91 $ |
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> |
!! @version $Id: doForces.F90,v 1.92 2007-07-17 21:55:56 gezelter Exp $, $Date: 2007-07-17 21:55:56 $, $Name: not supported by cvs2svn $, $Revision: 1.92 $ |
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module doForces |
| 1185 |
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endif |
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enddo |
| 1187 |
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endif |
| 1188 |
+ |
!if (do_stress.and.(.not.SIM_uses_AtomicVirial)) then |
| 1189 |
+ |
! call add_stress_tensor(d_grp, fij, tau) |
| 1190 |
+ |
!endif |
| 1191 |
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endif |
| 1192 |
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endif |
| 1193 |
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endif |
| 1511 |
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pot(METALLIC_POT), f, do_pot) |
| 1512 |
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endif |
| 1513 |
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| 1514 |
+ |
if ( iand(iHash, MNM_PAIR).ne.0 ) then |
| 1515 |
+ |
call do_mnm_pair(i, j, d, r, rijsq, rcut, sw, vpair, fpair, & |
| 1516 |
+ |
pot(VDW_POT), A, f, t, do_pot) |
| 1517 |
+ |
endif |
| 1518 |
+ |
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| 1519 |
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end subroutine do_pair |
| 1520 |
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| 1521 |
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subroutine do_prepair(i, j, rijsq, d, sw, rcijsq, dc, rCut, & |
