| 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()); |