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 |
|
|
192 |
|
deprecatedKeywords_.insert("minimizerLSTol"); |
193 |
|
deprecatedKeywords_.insert("minimizerLSMaxIter"); |
194 |
|
deprecatedKeywords_.insert("electricField"); |
195 |
< |
|
193 |
< |
|
195 |
> |
deprecatedKeywords_.insert("cutoffPolicy"); |
196 |
|
} |
197 |
|
|
198 |
|
Globals::~Globals() { |
247 |
|
isEqualIgnoreCase("SHIFTED_FORCE") || |
248 |
|
isEqualIgnoreCase("TAYLOR_SHIFTED") || |
249 |
|
isEqualIgnoreCase("EWALD_FULL")); |
248 |
– |
CheckParameter(CutoffPolicy, isEqualIgnoreCase("MIX") || |
249 |
– |
isEqualIgnoreCase("MAX") || |
250 |
– |
isEqualIgnoreCase("TRADITIONAL")); |
250 |
|
CheckParameter(ElectrostaticSummationMethod, isEqualIgnoreCase("NONE") || |
251 |
< |
isEqualIgnoreCase("HARD") || isEqualIgnoreCase("SWITCHED") || |
251 |
> |
isEqualIgnoreCase("HARD") || |
252 |
> |
isEqualIgnoreCase("SWITCHED") || |
253 |
|
isEqualIgnoreCase("SHIFTED_POTENTIAL") || |
254 |
|
isEqualIgnoreCase("SHIFTED_FORCE") || |
255 |
|
isEqualIgnoreCase("REACTION_FIELD") || |
256 |
|
isEqualIgnoreCase("TAYLOR_SHIFTED")); |
257 |
|
CheckParameter(ElectrostaticScreeningMethod, |
258 |
< |
isEqualIgnoreCase("UNDAMPED") || isEqualIgnoreCase("DAMPED")); |
258 |
> |
isEqualIgnoreCase("UNDAMPED") || |
259 |
> |
isEqualIgnoreCase("DAMPED")); |
260 |
|
CheckParameter(SwitchingFunctionType, isEqualIgnoreCase("CUBIC") || |
261 |
|
isEqualIgnoreCase("FIFTH_ORDER_POLYNOMIAL")); |
262 |
|
CheckParameter(OrthoBoxTolerance, isPositive()); |