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root/OpenMD/branches/development/src/nonbonded/SC.cpp
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Comparing branches/development/src/nonbonded/SC.cpp (file contents):
Revision 1582 by gezelter, Tue Jun 14 20:41:44 2011 UTC vs.
Revision 1586 by gezelter, Tue Jun 21 06:34:35 2011 UTC

# Line 329 | Line 329 | namespace OpenMD {
329      *(sdat.frho) = u;
330      *(sdat.dfrhodrho) = 0.5 * *(sdat.frho) / *(sdat.rho);
331  
332 <    sdat.pot[METALLIC_FAMILY] += u;
332 >    (*(sdat.pot))[METALLIC_FAMILY] += u;
333      *(sdat.particlePot) += u;
334      
335      return;
# Line 379 | Line 379 | namespace OpenMD {
379        *(idat.particlePot1) -= data2.c * data2.epsilon *
380          sqrt( *(idat.rho2) - rhtmp) + *(idat.frho2);
381  
382 <      *(idat.particlePot1) -= data1.c * data1.epsilon *
382 >      *(idat.particlePot2) -= data1.c * data1.epsilon *
383          sqrt( *(idat.rho1) - rhtmp) + *(idat.frho1);
384        
385        (*(idat.pot))[METALLIC_FAMILY] += pot_temp;

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