| 56 |
|
DeclareParameter(DistanceMixingRule, std::string); |
| 57 |
|
DeclareParameter(DistanceType, std::string); |
| 58 |
|
DeclareParameter(EnergyMixingRule, std::string); |
| 59 |
– |
DeclareParameter(CutoffPolicy, std::string); |
| 59 |
|
DeclareParameter(EnergyUnitScaling, RealType); |
| 60 |
|
DeclareParameter(MetallicEnergyUnitScaling, RealType); |
| 61 |
|
DeclareParameter(DistanceUnitScaling, RealType); |
| 82 |
|
CheckParameter(DistanceType, isEqualIgnoreCase(std::string("sigma")) || isEqualIgnoreCase(std::string("Rmin"))); |
| 83 |
|
CheckParameter(EnergyMixingRule, isEqualIgnoreCase(std::string("arithmetic")) || isEqualIgnoreCase(std::string("geometric")) || isEqualIgnoreCase(std::string("hhg"))); |
| 84 |
|
CheckParameter(TorsionAngleConvention, isEqualIgnoreCase(std::string("180_is_trans")) || isEqualIgnoreCase(std::string("0_is_trans"))); |
| 86 |
– |
CheckParameter(CutoffPolicy, isEqualIgnoreCase(std::string("MIX")) || isEqualIgnoreCase(std::string("MAX")) || isEqualIgnoreCase(std::string("TRADITIONAL"))); |
| 85 |
|
CheckParameter(EAMMixingMethod, isEqualIgnoreCase(std::string("JOHNSON")) || isEqualIgnoreCase(std::string("DAW"))); |
| 86 |
|
} |
| 87 |
|
|