| 192 |
|
deprecatedKeywords_.insert("minimizerLSTol"); |
| 193 |
|
deprecatedKeywords_.insert("minimizerLSMaxIter"); |
| 194 |
|
deprecatedKeywords_.insert("electricField"); |
| 195 |
< |
|
| 196 |
< |
|
| 195 |
> |
deprecatedKeywords_.insert("cutoffPolicy"); |
| 196 |
|
} |
| 197 |
|
|
| 198 |
|
Globals::~Globals() { |
| 247 |
|
isEqualIgnoreCase("SHIFTED_FORCE") || |
| 248 |
|
isEqualIgnoreCase("TAYLOR_SHIFTED") || |
| 249 |
|
isEqualIgnoreCase("EWALD_FULL")); |
| 251 |
– |
CheckParameter(CutoffPolicy, isEqualIgnoreCase("MIX") || |
| 252 |
– |
isEqualIgnoreCase("MAX") || |
| 253 |
– |
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()); |
