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root/group/trunk/OOPSE/libmdtools/SimInfo.cpp
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Comparing trunk/OOPSE/libmdtools/SimInfo.cpp (file contents):
Revision 859 by mmeineke, Mon Nov 10 21:50:36 2003 UTC vs.
Revision 872 by chrisfen, Fri Nov 21 19:31:05 2003 UTC

# Line 20 | Line 20 | inline double roundMe( double x ){
20    return ( x >= 0 ) ? floor( x + 0.5 ) : ceil( x - 0.5 );
21   }
22            
23 + inline double min( double a, double b ){
24 +  return (a < b ) ? a : b;
25 + }
26  
27   SimInfo* currentInfo;
28  
# Line 539 | Line 542 | void SimInfo::setDefaultEcr( double theEcr ){
542   void SimInfo::setDefaultEcr( double theEcr ){
543  
544    haveEcr = 1;
545 +  ecr = theEcr;
546    
547    ( rCut > ecr )? rList = rCut + 1.0: rList = ecr + 1.0;
548  
545  ecr = theEcr;
546
549    notifyFortranCutOffs( &rCut, &rList, &ecr, &est );
550   }
551  

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