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root/OpenMD/trunk/src/brains/SimInfo.cpp
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Comparing trunk/src/brains/SimInfo.cpp (file contents):
Revision 3 by tim, Fri Sep 24 16:27:58 2004 UTC vs.
Revision 124 by chuckv, Wed Oct 20 20:46:20 2004 UTC

# Line 9 | Line 9 | using namespace std;
9   #define __C
10   #include "brains/fSimulation.h"
11   #include "utils/simError.h"
12 + #include "UseTheForce/DarkSide/simulation_interface.h"
13 + #include "UseTheForce/notifyCutoffs_interface.h"
14  
15 < #include "UseTheForce/fortranWrappers.hpp"
15 > //#include "UseTheForce/fortranWrappers.hpp"
16  
17   #include "math/MatVec3.h"
18  
# Line 76 | Line 78 | SimInfo::SimInfo(){
78  
79    ngroup = 0;
80  
79 –  wrapMeSimInfo( this );
81   }
82  
83  
# Line 132 | Line 133 | void SimInfo::setBoxM( double theBox[3][3] ){
133      }
134    }
135  
136 <  setFortranBoxSize(FortranHmat, FortranHmatInv, &orthoRhombic);
136 >  setFortranBox(FortranHmat, FortranHmatInv, &orthoRhombic);
137  
138   }
139  
# Line 459 | Line 460 | void SimInfo::refreshSim(){
460    //it may not be a good idea to pass the address of first element in vector
461    //since c++ standard does not require vector to be stored continuously in meomory
462    //Most of the compilers will organize the memory of vector continuously
463 <  setFsimulation( &fInfo, &n_global, &n_atoms, identArray, &n_exclude, excl,
463 >  setFortranSim( &fInfo, &n_global, &n_atoms, identArray, &n_exclude, excl,
464                    &nGlobalExcludes, globalExcludes, molMembershipArray,
465                    &mfact[0], &ngroup, &FglobalGroupMembership[0], &isError);
466  
# Line 489 | Line 490 | void SimInfo::setDefaultRcut( double theRcut ){
490    rCut = theRcut;
491    rList = rCut + 1.0;
492    
493 <  notifyFortranCutOffs( &rCut, &rSw, &rList );
493 >  notifyFortranCutoffs( &rCut, &rSw, &rList );
494   }
495  
496   void SimInfo::setDefaultRcut( double theRcut, double theRsw ){

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