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 |
|
|