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root/group/trunk/OOPSE_old/src/mdtools/libmdCode/SimInfo.cpp
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Comparing trunk/OOPSE_old/src/mdtools/libmdCode/SimInfo.cpp (file contents):
Revision 270 by mmeineke, Fri Feb 14 17:08:46 2003 UTC vs.
Revision 285 by mmeineke, Wed Feb 26 18:45:57 2003 UTC

# Line 1 | Line 1
1   #include <cstdlib>
2  
3   #include "SimInfo.hpp"
4 <
4 > #define __C
5 > #include "fSimulation.h"
6   extern "C"{
7    void wrapsimmod_( void (*wrapFunction)(void (*fSub)( int*, double*,
8                                                         double*, double*)));
# Line 16 | Line 17 | SimInfo::SimInfo(){
17    n_constraints = 0;
18    n_oriented = 0;
19    n_dipoles = 0;
19 –  longRange = NULL;
20    the_integrator = NULL;
21    setTemp = 0;
22    thermalTime = 0.0;
# Line 40 | Line 40 | void SimInfo::refreshSim(){
40    box[1] = box_y;
41    box[2] = box_z;
42  
43 <  setFsimulation( &n_atoms, box, &rList, &rCut );
43 >  
44 >
45 >  setFsimulation( &n_atoms, box, &rList, &rCut,&ensemble,
46 >                 &mixingRule,&usePBC);
47   }
48  
49  

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