| 72 |
|
dslElectroFrame = 16, |
| 73 |
|
dslZAngle = 32, |
| 74 |
|
dslForce = 64, |
| 75 |
< |
dslTorque = 128 |
| 75 |
> |
dslTorque = 128, |
| 76 |
> |
dslParticlePot = 256 |
| 77 |
|
}; |
| 78 |
|
|
| 79 |
|
|
| 80 |
|
DataStorage(); |
| 81 |
< |
DataStorage(int size, int storageLayout = 255); |
| 81 |
> |
DataStorage(int size, int storageLayout = 511); |
| 82 |
|
/** return the size of this DataStorage. */ |
| 83 |
|
int getSize(); |
| 84 |
|
/** |
| 116 |
|
std::vector<RealType> zAngle; /** z -angle array */ |
| 117 |
|
std::vector<Vector3d> force; /** force array */ |
| 118 |
|
std::vector<Vector3d> torque; /** torque array */ |
| 119 |
+ |
std::vector<RealType> particlePot; /** pair potential arrray */ |
| 120 |
|
|
| 121 |
|
static int getBytesPerStuntDouble(int layout); |
| 122 |
|
|