| 45 |
|
|
| 46 |
|
!! @author Charles F. Vardeman II |
| 47 |
|
!! @author Matthew Meineke |
| 48 |
< |
!! @version $Id: doForces.F90,v 1.87 2007-04-20 18:15:46 chrisfen Exp $, $Date: 2007-04-20 18:15:46 $, $Name: not supported by cvs2svn $, $Revision: 1.87 $ |
| 48 |
> |
!! @version $Id: doForces.F90,v 1.88 2007-05-02 00:18:08 chrisfen Exp $, $Date: 2007-05-02 00:18:08 $, $Name: not supported by cvs2svn $, $Revision: 1.88 $ |
| 49 |
|
|
| 50 |
|
|
| 51 |
|
module doForces |
| 1111 |
|
if (loop .eq. PAIR_LOOP) then |
| 1112 |
|
if (in_switching_region) then |
| 1113 |
|
swderiv = vij*dswdr/rgrp |
| 1114 |
< |
fij(1) = fij(1) + swderiv*d_grp(1) |
| 1115 |
< |
fij(2) = fij(2) + swderiv*d_grp(2) |
| 1116 |
< |
fij(3) = fij(3) + swderiv*d_grp(3) |
| 1114 |
> |
fg = swderiv*d_grp |
| 1115 |
> |
|
| 1116 |
> |
fij(1) = fij(1) + fg(1) |
| 1117 |
> |
fij(2) = fij(2) + fg(2) |
| 1118 |
> |
fij(3) = fij(3) + fg(3) |
| 1119 |
> |
|
| 1120 |
> |
if ((n_in_i .eq. 1).and.(n_in_j .eq. 1)) then |
| 1121 |
> |
call add_stress_tensor(d_atm, fg, tau) |
| 1122 |
> |
endif |
| 1123 |
|
|
| 1124 |
|
do ia=groupStartRow(i), groupStartRow(i+1)-1 |
| 1125 |
|
atom1=groupListRow(ia) |
