| 35 |
|
* |
| 36 |
|
* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
| 37 |
|
* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
| 38 |
< |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
| 38 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
| 39 |
|
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
| 40 |
|
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
| 41 |
|
*/ |
| 228 |
|
CheckParameter(CutoffMethod, isEqualIgnoreCase("HARD") || |
| 229 |
|
isEqualIgnoreCase("SWITCHED") || |
| 230 |
|
isEqualIgnoreCase("SHIFTED_POTENTIAL") || |
| 231 |
< |
isEqualIgnoreCase("SHIFTED_FORCE")); |
| 231 |
> |
isEqualIgnoreCase("SHIFTED_FORCE") || |
| 232 |
> |
isEqualIgnoreCase("TAYLOR_SHIFTED")); |
| 233 |
|
CheckParameter(CutoffPolicy, isEqualIgnoreCase("MIX") || |
| 234 |
|
isEqualIgnoreCase("MAX") || |
| 235 |
|
isEqualIgnoreCase("TRADITIONAL")); |
| 237 |
|
isEqualIgnoreCase("HARD") || isEqualIgnoreCase("SWITCHED") || |
| 238 |
|
isEqualIgnoreCase("SHIFTED_POTENTIAL") || |
| 239 |
|
isEqualIgnoreCase("SHIFTED_FORCE") || |
| 240 |
< |
isEqualIgnoreCase("REACTION_FIELD")); |
| 240 |
> |
isEqualIgnoreCase("REACTION_FIELD") || |
| 241 |
> |
isEqualIgnoreCase("TAYLOR_SHIFTED")); |
| 242 |
|
CheckParameter(ElectrostaticScreeningMethod, |
| 243 |
|
isEqualIgnoreCase("UNDAMPED") || isEqualIgnoreCase("DAMPED")); |
| 244 |
|
CheckParameter(SwitchingFunctionType, isEqualIgnoreCase("CUBIC") || |