58 |
|
DeclareParameter(EnergyMixingRule, std::string); |
59 |
|
DeclareParameter(CutoffPolicy, std::string); |
60 |
|
DeclareParameter(EnergyUnitScaling, RealType); |
61 |
+ |
DeclareParameter(MetallicEnergyUnitScaling, RealType); |
62 |
|
DeclareParameter(DistanceUnitScaling, RealType); |
63 |
|
DeclareParameter(AngleUnitScaling, RealType); |
64 |
|
DeclareParameter(TorsionAngleConvention, std::string); |
65 |
+ |
DeclareParameter(vdw12scale, RealType); |
66 |
+ |
DeclareParameter(vdw13scale, RealType); |
67 |
|
DeclareParameter(vdw14scale, RealType); |
68 |
+ |
DeclareParameter(electrostatic12scale, RealType); |
69 |
+ |
DeclareParameter(electrostatic13scale, RealType); |
70 |
|
DeclareParameter(electrostatic14scale, RealType); |
71 |
|
DeclareParameter(GayBerneMu, RealType); |
72 |
|
DeclareParameter(GayBerneNu, RealType); |