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root/group/trunk/OOPSE/libmdtools/SimInfo.cpp
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Comparing trunk/OOPSE/libmdtools/SimInfo.cpp (file contents):
Revision 841 by mmeineke, Wed Oct 29 17:55:28 2003 UTC vs.
Revision 845 by gezelter, Thu Oct 30 18:59:20 2003 UTC

# Line 524 | Line 524 | void SimInfo::setDefaultRcut( double theRcut ){
524    haveOrigRcut = 1;
525    origRcut = theRcut;
526    rCut = theRcut;
527 +
528 +  ( rCut > ecr )? rList = rCut + 1.0: rList = ecr + 1.0;
529 +
530 +  notifyFortranCutOffs( &rCut, &rList, &ecr, &est );
531   }
532  
533   void SimInfo::setEcr( double theEcr ){
# Line 537 | Line 541 | void SimInfo::setDefaultEcr( double theEcr ){
541    haveOrigEcr = 1;
542    origEcr = theEcr;
543    
544 +  ( rCut > ecr )? rList = rCut + 1.0: rList = ecr + 1.0;
545 +
546    ecr = theEcr;
547 +
548 +  notifyFortranCutOffs( &rCut, &rList, &ecr, &est );
549   }
550  
551   void SimInfo::setEcr( double theEcr, double theEst ){
# Line 619 | Line 627 | void SimInfo::checkCutOffs( void ){
627      ( rCut > ecr )? rList = rCut + 1.0: rList = ecr + 1.0;
628      
629      if( cutChanged ){
622 –      
630        notifyFortranCutOffs( &rCut, &rList, &ecr, &est );
631      }
632      

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