| 45 |
|
|
| 46 |
|
ForceFieldOptions::ForceFieldOptions() { |
| 47 |
|
DefineOptionalParameter(Name, "Name"); |
| 48 |
– |
DefineOptionalParameter(CutoffPolicy, "cutoffPolicy"); |
| 48 |
|
DefineOptionalParameterWithDefaultValue(vdWtype, "vdWtype", "Lennard-Jones"); |
| 49 |
|
DefineOptionalParameterWithDefaultValue(DistanceMixingRule, "DistanceMixingRule", "arithmetic"); |
| 50 |
|
DefineOptionalParameterWithDefaultValue(DistanceType, "DistanceType", "sigma"); |
| 63 |
|
DefineOptionalParameterWithDefaultValue(GayBerneMu, "GayBerneMu", 2.0); |
| 64 |
|
DefineOptionalParameterWithDefaultValue(GayBerneNu, "GayBerneNu", 1.0); |
| 65 |
|
DefineOptionalParameterWithDefaultValue(EAMMixingMethod, "EAMMixingMethod", "Johnson"); |
| 66 |
+ |
|
| 67 |
+ |
deprecatedKeywords_.insert("cutoffPolicy"); |
| 68 |
|
} |
| 69 |
|
|
| 70 |
|
|