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root/group/trunk/OOPSE-2.0/src/UseTheForce/DUFF.cpp
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Comparing trunk/OOPSE-2.0/src/UseTheForce/DUFF.cpp (file contents):
Revision 1492 by tim, Fri Sep 24 16:27:58 2004 UTC vs.
Revision 1628 by gezelter, Thu Oct 21 20:15:31 2004 UTC

# Line 8 | Line 8 | using namespace std;
8   #include "UseTheForce/ForceFields.hpp"
9   #include "primitives/SRI.hpp"
10   #include "utils/simError.h"
11 + #include "UseTheForce/DarkSide/sticky_interface.h"
12 + #include "UseTheForce/DarkSide/atype_interface.h"
13  
14 < #include "UseTheForce/fortranWrappers.hpp"
14 > //#include "UseTheForce/fortranWrappers.hpp"
15 >
16  
17   #ifdef IS_MPI
18   #include "UseTheForce/mpiForceField.h"
# Line 466 | Line 469 | DUFF::DUFF(){
469    headTorsionType    = NULL;
470    currentTorsionType = NULL;
471  
469 –  // do the funtion wrapping
470 –  wrapMeFF( this );
472  
472 –
473   #ifdef IS_MPI
474    int i;
475    
# Line 653 | Line 653 | void DUFF::initForceField( int ljMixRule ){
653   }
654  
655  
656 < void DUFF::initForceField( int ljMixRule ){
656 > void DUFF::initForceField(){
657    
658 <  initFortran( ljMixRule, entry_plug->useReactionField );
658 >  initFortran( entry_plug->useReactionField );
659   }
660  
661   double DUFF::getAtomTypeMass (char* atomType) {
# Line 801 | Line 801 | void DUFF::readParams( void ){
801      if(currentAtomType->isDipole) entry_plug->useDipoles = 1;
802      if(currentAtomType->isSSD) {
803        entry_plug->useSticky = 1;
804 <      set_sticky_params( &(currentAtomType->w0), &(currentAtomType->v0),
805 <                         &(currentAtomType->v0p),
806 <                         &(currentAtomType->rl), &(currentAtomType->ru),
807 <                         &(currentAtomType->rlp), &(currentAtomType->rup));
804 >      makeStickyType( &(currentAtomType->w0), &(currentAtomType->v0),
805 >                      &(currentAtomType->v0p),
806 >                      &(currentAtomType->rl), &(currentAtomType->ru),
807 >                      &(currentAtomType->rlp), &(currentAtomType->rup));
808      }
809  
810      if( currentAtomType->name[0] != '\0' ){

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