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root/OpenMD/trunk/src/io/Globals.cpp
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Comparing trunk/src/io/Globals.cpp (file contents):
Revision 749 by tim, Wed Nov 16 23:10:02 2005 UTC vs.
Revision 765 by gezelter, Mon Nov 21 22:59:36 2005 UTC

# Line 342 | Line 342 | char* Globals::checkMe( void ){
342    CheckParameter(ForceField, isNotEmpty());
343    CheckParameter(NComponents,isPositive());
344    CheckParameter(TargetTemp, isPositive());
345 <  CheckParameter(Ensemble, isEqualIgnoreCase(std::string("NVE")) ||
346 <                 isEqualIgnoreCase(std::string("NVT")) ||
347 <                 isEqualIgnoreCase(std::string("NPTi")) ||
348 <                 isEqualIgnoreCase(std::string("NPTf")) ||
349 <                 isEqualIgnoreCase(std::string("NPTxyz")) );
345 >  CheckParameter(Ensemble, isEqualIgnoreCase(std::string("NVE")) || isEqualIgnoreCase(std::string("NVT")) || isEqualIgnoreCase(std::string("NPTi")) || isEqualIgnoreCase(std::string("NPTf")) || isEqualIgnoreCase(std::string("NPTxyz")) );
346    CheckParameter(Dt, isPositive());
347    CheckParameter(RunTime, isPositive());
348    CheckParameter(InitialConfig, isNotEmpty());
# Line 372 | Line 368 | char* Globals::checkMe( void ){
368    CheckParameter(ZconsTol, isPositive());
369    //CheckParameter(ZconsForcePolicy,);
370    CheckParameter(Seed, isPositive());
371 <  CheckParameter(Minimizer, isEqualIgnoreCase(std::string("SD")) ||
376 <                 isEqualIgnoreCase(std::string("CG")));
371 >  CheckParameter(Minimizer, isEqualIgnoreCase(std::string("SD")) || isEqualIgnoreCase(std::string("CG")));
372    CheckParameter(MinimizerMaxIter, isPositive());
373    CheckParameter(MinimizerWriteFrq, isPositive());
374    CheckParameter(MinimizerStepSize, isPositive());
# Line 391 | Line 386 | char* Globals::checkMe( void ){
386    CheckParameter(ThermIntThetaSpringConst, isPositive());
387    CheckParameter(ThermIntOmegaSpringConst, isPositive());
388    CheckParameter(SurfaceTension, isPositive());
389 <  CheckParameter(ElectrostaticSummationMethod,
390 <                 isEqualIgnoreCase(std::string("NONE")) ||
391 <                 isEqualIgnoreCase(std::string("SHIFTED_POTENTIAL")) ||
392 <                 isEqualIgnoreCase(std::string("SHIFTED_FORCE")) ||
398 <                 isEqualIgnoreCase(std::string("REACTION_FIELD")));
399 <  CheckParameter(ElectrostaticScreeningMethod,
400 <                 isEqualIgnoreCase(std::string("UNDAMPED")) ||
401 <                 isEqualIgnoreCase(std::string("DAMPED")));
402 <  CheckParameter(CutoffPolicy, isEqualIgnoreCase(std::string("MIX")) ||
403 <                 isEqualIgnoreCase(std::string("MAX")) ||
404 <                 isEqualIgnoreCase(std::string("TRADITIONAL")));
405 <  CheckParameter(SwitchingFunctionType,
406 <                 isEqualIgnoreCase(std::string("CUBIC")) ||
407 <                 isEqualIgnoreCase(std::string("FIFTH_ORDER_POLYNOMIAL")));
389 >  CheckParameter(ElectrostaticSummationMethod, isEqualIgnoreCase(std::string("NONE")) || isEqualIgnoreCase(std::string("SHIFTED_POTENTIAL")) || isEqualIgnoreCase(std::string("SHIFTED_FORCE")) || isEqualIgnoreCase(std::string("REACTION_FIELD")));
390 >  CheckParameter(ElectrostaticScreeningMethod, isEqualIgnoreCase(std::string("UNDAMPED")) || isEqualIgnoreCase(std::string("DAMPED")));
391 >  CheckParameter(CutoffPolicy, isEqualIgnoreCase(std::string("MIX")) || isEqualIgnoreCase(std::string("MAX")) || isEqualIgnoreCase(std::string("TRADITIONAL")));
392 >  CheckParameter(SwitchingFunctionType, isEqualIgnoreCase(std::string("CUBIC")) || isEqualIgnoreCase(std::string("FIFTH_ORDER_POLYNOMIAL")));
393    //CheckParameter(StatFileFormat,);    
394    //CheckParameter(MixingRule,);
395    CheckParameter(OrthoBoxTolerance, isPositive());  

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