| 45 |
|
#include "utils/ParameterManager.hpp" |
| 46 |
|
#include "utils/StringUtils.hpp" |
| 47 |
|
#include "io/ParamConstraint.hpp" |
| 48 |
< |
#define __C |
| 48 |
> |
#define __OOPSE_C |
| 49 |
|
#include "UseTheForce/fForceOptions.h" |
| 50 |
|
|
| 51 |
|
namespace oopse { |
| 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); |