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root/group/trunk/OOPSE/libmdtools/ForceFields.cpp
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Comparing trunk/OOPSE/libmdtools/ForceFields.cpp (file contents):
Revision 597 by mmeineke, Mon Jul 14 21:28:54 2003 UTC vs.
Revision 621 by gezelter, Wed Jul 16 02:11:02 2003 UTC

# Line 27 | Line 27 | void ForceFields::calcRcut( void ){
27    //calc rCut and rList
28  
29    entry_plug->rCut = 2.5 * bigSigma;
30 <  if(entry_plug->rCut > (entry_plug->boxLx / 2.0))
31 <    entry_plug->rCut = entry_plug->boxLx / 2.0;
32 <  if(entry_plug->rCut > (entry_plug->boxLy / 2.0))
33 <    entry_plug->rCut = entry_plug->boxLy / 2.0;
34 <  if(entry_plug->rCut > (entry_plug->boxLz / 2.0))
35 <    entry_plug->rCut = entry_plug->boxLz / 2.0;
30 >  if(entry_plug->rCut > (entry_plug->boxL[0] / 2.0))
31 >    entry_plug->rCut = entry_plug->boxL[0] / 2.0;
32 >  if(entry_plug->rCut > (entry_plug->boxL[1] / 2.0))
33 >    entry_plug->rCut = entry_plug->boxL[1] / 2.0;
34 >  if(entry_plug->rCut > (entry_plug->boxL[2] / 2.0))
35 >    entry_plug->rCut = entry_plug->boxL[2] / 2.0;
36    
37    entry_plug->rList = entry_plug->rCut + 1.0;
38    

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