| 146 |
|
"outputElectricField", false); |
| 147 |
|
DefineOptionalParameterWithDefaultValue(OutputFluctuatingCharges, |
| 148 |
|
"outputFluctuatingCharges", false); |
| 149 |
+ |
DefineOptionalParameterWithDefaultValue(OutputSitePotential, |
| 150 |
+ |
"outputSitePotential", false); |
| 151 |
|
DefineOptionalParameterWithDefaultValue(SkinThickness, "skinThickness", |
| 152 |
|
1.0); |
| 153 |
|
DefineOptionalParameterWithDefaultValue(StatFileFormat, |
| 204 |
|
isEqualIgnoreCase("NVT") || isEqualIgnoreCase("NPTi") || |
| 205 |
|
isEqualIgnoreCase("NPTf") || isEqualIgnoreCase("NPTxyz") || |
| 206 |
|
isEqualIgnoreCase("NPTsz") || isEqualIgnoreCase("NPAT") || |
| 207 |
+ |
isEqualIgnoreCase("NPA") || |
| 208 |
|
isEqualIgnoreCase("LANGEVINDYNAMICS") || |
| 209 |
|
isEqualIgnoreCase("LD") || isEqualIgnoreCase("NPRT") || |
| 210 |
|
isEqualIgnoreCase("NPGT") || isEqualIgnoreCase("NGammaT") || |