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root/OpenMD/branches/development/src/nonbonded/InteractionManager.cpp
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Comparing branches/development/src/nonbonded/InteractionManager.cpp (file contents):
Revision 1545 by gezelter, Fri Apr 8 21:25:19 2011 UTC vs.
Revision 1554 by gezelter, Sat Apr 30 02:54:02 2011 UTC

# Line 40 | Line 40
40   */
41  
42   #include "nonbonded/InteractionManager.hpp"
43 #include "UseTheForce/doForces_interface.h"
43  
44   namespace OpenMD {
45  
# Line 492 | Line 491 | namespace OpenMD {
491          
492      set<NonBondedInteraction*>::iterator it;
493  
494 <    for (it = interactions_[idat.atypes].begin();
495 <         it != interactions_[idat.atypes].end(); ++it){
494 >    for (it = interactions_[ *(idat.atypes) ].begin();
495 >         it != interactions_[ *(idat.atypes) ].end(); ++it){
496        if ((*it)->getFamily() == METALLIC_FAMILY) {
497          dynamic_cast<MetallicInteraction*>(*it)->calcDensity(idat);
498        }
# Line 524 | Line 523 | namespace OpenMD {
523    
524      set<NonBondedInteraction*>::iterator it;
525  
526 <    for (it = interactions_[idat.atypes].begin();
527 <         it != interactions_[idat.atypes].end(); ++it)
526 >    for (it = interactions_[ *(idat.atypes) ].begin();
527 >         it != interactions_[ *(idat.atypes) ].end(); ++it)
528        (*it)->calcForce(idat);
529      
530      return;    
# Line 537 | Line 536 | namespace OpenMD {
536      
537      set<NonBondedInteraction*>::iterator it;
538  
539 <    for (it = interactions_[idat.atypes].begin();
540 <         it != interactions_[idat.atypes].end(); ++it){
539 >    for (it = interactions_[ *(idat.atypes) ].begin();
540 >         it != interactions_[ *(idat.atypes) ].end(); ++it){
541        if ((*it)->getFamily() == ELECTROSTATIC_FAMILY) {
542          dynamic_cast<ElectrostaticInteraction*>(*it)->calcSkipCorrection(idat);
543        }

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