| 45 |
|
|
| 46 |
|
!! @author Charles F. Vardeman II |
| 47 |
|
!! @author Matthew Meineke |
| 48 |
< |
!! @version $Id: doForces.F90,v 1.74 2005-12-30 23:15:59 chuckv Exp $, $Date: 2005-12-30 23:15:59 $, $Name: not supported by cvs2svn $, $Revision: 1.74 $ |
| 48 |
> |
!! @version $Id: doForces.F90,v 1.76 2006-02-16 21:40:20 gezelter Exp $, $Date: 2006-02-16 21:40:20 $, $Name: not supported by cvs2svn $, $Revision: 1.76 $ |
| 49 |
|
|
| 50 |
|
|
| 51 |
|
module doForces |
| 590 |
|
call handleError("setCutoffs", errMsg) |
| 591 |
|
end if |
| 592 |
|
call set_switch(GROUP_SWITCH, defaultRsw, defaultRcut) |
| 593 |
+ |
call setHmatDangerousRcutValue(defaultRcut) |
| 594 |
|
|
| 595 |
|
haveDefaultCutoffs = .true. |
| 596 |
|
haveGtypeCutoffMap = .false. |
| 638 |
|
SIM_requires_postpair_calc = SimRequiresPostpairCalc() |
| 639 |
|
SIM_requires_prepair_calc = SimRequiresPrepairCalc() |
| 640 |
|
SIM_uses_PBC = SimUsesPBC() |
| 641 |
+ |
SIM_uses_SC = SimUsesSC() |
| 642 |
|
|
| 643 |
|
haveSIMvariables = .true. |
| 644 |
|
|
| 663 |
|
|
| 664 |
|
if (VisitCutoffsAfterComputing) then |
| 665 |
|
call set_switch(GROUP_SWITCH, largestRcut, largestRcut) |
| 666 |
+ |
call setHmatDangerousRcutValue(largestRcut) |
| 667 |
|
endif |
| 668 |
|
|
| 669 |
|
|
