ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/src/io/Globals.cpp
(Generate patch)

Comparing trunk/src/io/Globals.cpp (file contents):
Revision 848 by tim, Wed Jan 11 19:01:20 2006 UTC vs.
Revision 849 by chrisfen, Thu Jan 12 04:13:46 2006 UTC

# Line 130 | Line 130 | void Globals::validate() {
130  
131    CheckParameter(ForceField, isNotEmpty());
132    CheckParameter(TargetTemp, isPositive());
133 <  CheckParameter(Ensemble, isEqualIgnoreCase(std::string("NVE")) || isEqualIgnoreCase(std::string("NVT")) || isEqualIgnoreCase(std::string("NPTi")) || isEqualIgnoreCase(std::string("NPTf")) || isEqualIgnoreCase(std::string("NPTxyz")) );
133 >  CheckParameter(Ensemble, isEqualIgnoreCase(std::string("NVE")) ||
134 >                 isEqualIgnoreCase(std::string("NVT")) ||
135 >                 isEqualIgnoreCase(std::string("NPTi")) ||
136 >                 isEqualIgnoreCase(std::string("NPTf")) ||
137 >                 isEqualIgnoreCase(std::string("NPTxyz")) );
138    CheckParameter(Dt, isPositive());
139    CheckParameter(RunTime, isPositive());
140    CheckParameter(InitialConfig, isNotEmpty());
# Line 148 | Line 152 | void Globals::validate() {
152    CheckParameter(ZconsTime, isPositive());
153    CheckParameter(ZconsTol, isPositive());
154    CheckParameter(Seed, isPositive());
155 <  CheckParameter(Minimizer, isEqualIgnoreCase(std::string("SD")) || isEqualIgnoreCase(std::string("CG")));
155 >  CheckParameter(Minimizer, isEqualIgnoreCase(std::string("SD")) ||
156 >                 isEqualIgnoreCase(std::string("CG")));
157    CheckParameter(MinimizerMaxIter, isPositive());
158    CheckParameter(MinimizerWriteFrq, isPositive());
159    CheckParameter(MinimizerStepSize, isPositive());
# Line 166 | Line 171 | void Globals::validate() {
171    CheckParameter(ThermIntThetaSpringConst, isPositive());
172    CheckParameter(ThermIntOmegaSpringConst, isPositive());
173    CheckParameter(SurfaceTension, isPositive());
174 <  CheckParameter(ElectrostaticSummationMethod, isEqualIgnoreCase(std::string("NONE")) || isEqualIgnoreCase(std::string("SHIFTED_POTENTIAL")) || isEqualIgnoreCase(std::string("SHIFTED_FORCE")) || isEqualIgnoreCase(std::string("REACTION_FIELD")));
175 <  CheckParameter(ElectrostaticScreeningMethod, isEqualIgnoreCase(std::string("UNDAMPED")) || isEqualIgnoreCase(std::string("DAMPED")));
176 <  CheckParameter(CutoffPolicy, isEqualIgnoreCase(std::string("MIX")) || isEqualIgnoreCase(std::string("MAX")) || isEqualIgnoreCase(std::string("TRADITIONAL")));
177 <  CheckParameter(SwitchingFunctionType, isEqualIgnoreCase(std::string("CUBIC")) || isEqualIgnoreCase(std::string("FIFTH_ORDER_POLYNOMIAL")));
174 >  CheckParameter(ElectrostaticSummationMethod,
175 >                 isEqualIgnoreCase(std::string("NONE")) ||
176 >                 isEqualIgnoreCase(std::string("SHIFTED_POTENTIAL")) ||
177 >                 isEqualIgnoreCase(std::string("SHIFTED_FORCE")) ||
178 >                 isEqualIgnoreCase(std::string("REACTION_FIELD")));
179 >  CheckParameter(ElectrostaticScreeningMethod,
180 >                 isEqualIgnoreCase(std::string("UNDAMPED")) ||
181 >                 isEqualIgnoreCase(std::string("DAMPED")));
182 >  CheckParameter(CutoffPolicy, isEqualIgnoreCase(std::string("MIX")) ||
183 >                 isEqualIgnoreCase(std::string("MAX")) ||
184 >                 isEqualIgnoreCase(std::string("TRADITIONAL")));
185 >  CheckParameter(SwitchingFunctionType,
186 >                 isEqualIgnoreCase(std::string("CUBIC")) ||
187 >                 isEqualIgnoreCase(std::string("FIFTH_ORDER_POLYNOMIAL")));
188    //CheckParameter(StatFileFormat,);    
189    //CheckParameter(MixingRule,);
190    CheckParameter(OrthoBoxTolerance, isPositive());  

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines