| 4 |
|
|
| 5 |
|
!! @author Charles F. Vardeman II |
| 6 |
|
!! @author Matthew Meineke |
| 7 |
< |
!! @version $Id: do_Forces.F90,v 1.54 2004-05-07 21:35:04 gezelter Exp $, $Date: 2004-05-07 21:35:04 $, $Name: not supported by cvs2svn $, $Revision: 1.54 $ |
| 7 |
> |
!! @version $Id: do_Forces.F90,v 1.55 2004-05-11 21:31:14 gezelter Exp $, $Date: 2004-05-11 21:31:14 $, $Name: not supported by cvs2svn $, $Revision: 1.55 $ |
| 8 |
|
|
| 9 |
|
module do_Forces |
| 10 |
|
use force_globals |
| 280 |
|
|
| 281 |
|
!! Assume sanity (for the sake of argument) |
| 282 |
|
haveSaneForceField = .true. |
| 283 |
– |
!! |
| 284 |
– |
if (FF_uses_charges) then |
| 285 |
– |
dielect = getDielect() |
| 286 |
– |
call initialize_charge(dielect) |
| 287 |
– |
endif |
| 288 |
– |
|
| 283 |
|
|
| 284 |
|
!! check to make sure the FF_uses_RF setting makes sense |
| 285 |
|
|
| 1140 |
|
call do_dipole_pair(i, j, d, r, rijsq, sw, vpair, pot, u_l, f, t, & |
| 1141 |
|
do_pot, do_stress) |
| 1142 |
|
if (FF_uses_RF .and. SIM_uses_RF) then |
| 1143 |
< |
call accumulate_rf(i, j, r, u_l) |
| 1144 |
< |
call rf_correct_forces(i, j, d, r, u_l, f, do_stress) |
| 1143 |
> |
call accumulate_rf(i, j, r, u_l, sw) |
| 1144 |
> |
call rf_correct_forces(i, j, d, r, u_l, sw, f, do_stress) |
| 1145 |
|
endif |
| 1146 |
|
endif |
| 1147 |
|
|
