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root/group/trunk/OOPSE/libmdtools/Thermo.cpp
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Comparing trunk/OOPSE/libmdtools/Thermo.cpp (file contents):
Revision 423 by mmeineke, Thu Mar 27 20:12:15 2003 UTC vs.
Revision 428 by mmeineke, Thu Mar 27 21:07:14 2003 UTC

# Line 86 | Line 86 | double Thermo::getPotential(){
86    double potential_local;
87    double potential;
88    int el, nSRI;
89 <  SRI** sris;
89 >  Molecule* molecules;
90  
91 <  sris = entry_plug->sr_interactions;
91 >  molecules = entry_plug->molecules;
92    nSRI = entry_plug->n_SRI;
93  
94    potential_local = 0.0;
95    potential_local += entry_plug->lrPot;
96  
97    for( el=0; el<entry_plug->n_mol; el++ ){    
98 <    potential_local += entry_plug->molecules[el]->get_potential();
98 >    potential_local += molecules[el].getPotential();
99    }
100  
101    // Get total potential for entire system from MPI.

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