119 |
|
DefineOptionalParameterWithDefaultValue(SkinThickness, "skinThickness", 1.0); |
120 |
|
DefineOptionalParameterWithDefaultValue(StatFileFormat, "statFileFormat", "TIME|TOTAL_ENERGY|POTENTIAL_ENERGY|KINETIC_ENERGY|TEMPERATURE|PRESSURE|VOLUME|CONSERVED_QUANTITY"); |
121 |
|
DefineOptionalParameterWithDefaultValue(UseSphericalBoundaryConditions, "useSphericalBoundaryConditions", false); |
122 |
+ |
DefineOptionalParameterWithDefaultValue(AccumulateBoxDipole, "accumulateBoxDipole", false); |
123 |
|
|
124 |
|
|
125 |
|
deprecatedKeywords_.insert("nComponents"); |
165 |
|
CheckParameter(MinimizerLSMaxIter, isPositive()); |
166 |
|
CheckParameter(ZconsGap, isPositive()); |
167 |
|
CheckParameter(ZconsFixtime, isPositive()); |
168 |
< |
CheckParameter(ThermodynamicIntegrationLambda, isPositive()); |
168 |
> |
CheckParameter(ThermodynamicIntegrationLambda, isNonNegative()); |
169 |
|
CheckParameter(ThermodynamicIntegrationK, isPositive()); |
170 |
|
CheckParameter(ForceFieldVariant, isNotEmpty()); |
171 |
|
CheckParameter(ForceFieldFileName, isNotEmpty()); |