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#include <cstdlib> |
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#include <cstring> |
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#include <cmath> |
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#include <stdlib.h> |
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#include <string.h> |
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#include <math.h> |
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#include <iostream> |
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using namespace std; |
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void SimInfo::setRcut( double theRcut ){ |
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if( !haveOrigRcut ){ |
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haveOrigRcut = 1; |
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origRcut = theRcut; |
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} |
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rCut = theRcut; |
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checkCutOffs(); |
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} |
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void SimInfo::setEcr( double theEcr ){ |
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void SimInfo::setDefaultRcut( double theRcut ){ |
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if( !haveOrigEcr ){ |
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haveOrigEcr = 1; |
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origEcr = theEcr; |
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} |
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haveOrigRcut = 1; |
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origRcut = theRcut; |
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rCut = theRcut; |
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notifyFortranCutOffs( &rCut, &rList, &ecr, &est ); |
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} |
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void SimInfo::setEcr( double theEcr ){ |
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ecr = theEcr; |
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checkCutOffs(); |
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} |
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void SimInfo::setDefaultEcr( double theEcr ){ |
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haveOrigEcr = 1; |
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origEcr = theEcr; |
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ecr = theEcr; |
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notifyFortranCutOffs( &rCut, &rList, &ecr, &est ); |
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} |
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void SimInfo::setEcr( double theEcr, double theEst ){ |
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est = theEst; |
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setEcr( theEcr ); |
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} |
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void SimInfo::setDefaultEcr( double theEcr, double theEst ){ |
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est = theEst; |
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setDefaultEcr( theEcr ); |
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} |
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void SimInfo::checkCutOffs( void ){ |
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int cutChanged = 0; |
