91 |
|
DefineOptionalParameter(SurfaceTension, "surfaceTension"); |
92 |
|
DefineOptionalParameter(PrintPressureTensor, "printPressureTensor"); |
93 |
|
DefineOptionalParameter(ElectricField, "electricField"); |
94 |
+ |
DefineOptionalParameter(UniformField, "uniformField"); |
95 |
+ |
DefineOptionalParameter(UniformGradientStrength, "uniformGradientStrength"); |
96 |
+ |
DefineOptionalParameter(UniformGradientDirection1, "uniformGradientDirection1"); |
97 |
+ |
DefineOptionalParameter(UniformGradientDirection2, "uniformGradientDirection2"); |
98 |
+ |
//DefineOptionalParameter(PeriodicField, "periodicField"); |
99 |
+ |
//DefineOptionalParameter(PeriodicFieldStrength, "periodicFieldStrength"); |
100 |
+ |
|
101 |
|
|
102 |
|
DefineOptionalParameter(TaggedAtomPair, "taggedAtomPair"); |
103 |
|
DefineOptionalParameter(PrintTaggedPairDistance, "printTaggedPairDistance"); |
165 |
|
false); |
166 |
|
DefineOptionalParameterWithDefaultValue(AccumulateBoxDipole, |
167 |
|
"accumulateBoxDipole", false); |
168 |
+ |
DefineOptionalParameterWithDefaultValue(AccumulateBoxQuadrupole, |
169 |
+ |
"accumulateBoxQuadrupole", false); |
170 |
|
DefineOptionalParameterWithDefaultValue(UseRestraints, "useRestraints", |
171 |
|
false); |
172 |
|
DefineOptionalParameterWithDefaultValue(Restraint_file, "Restraint_file", |
191 |
|
deprecatedKeywords_.insert("minimizerGTol"); |
192 |
|
deprecatedKeywords_.insert("minimizerLSTol"); |
193 |
|
deprecatedKeywords_.insert("minimizerLSMaxIter"); |
194 |
+ |
deprecatedKeywords_.insert("electricField"); |
195 |
|
|
196 |
|
|
197 |
|
} |