| 122 |
|
|
| 123 |
|
/** Wrapping the vector according to periodic boundary condition*/ |
| 124 |
|
void wrapVector(Vector3d& v); |
| 125 |
< |
|
| 125 |
> |
Vector3d getCOM(); |
| 126 |
> |
Vector3d getCOMvel(); |
| 127 |
> |
Vector3d getCOMw(); |
| 128 |
|
|
| 129 |
|
RealType getTime() { |
| 130 |
|
return currentTime_; |
| 168 |
|
void setEta(const Mat3x3d& eta) { |
| 169 |
|
eta_ = eta; |
| 170 |
|
} |
| 171 |
< |
|
| 171 |
> |
|
| 172 |
> |
bool hasCOM() { |
| 173 |
> |
return hasCOM_; |
| 174 |
> |
} |
| 175 |
> |
|
| 176 |
> |
void setCOMprops(const Vector3d& COM, const Vector3d& COMvel, const Vector3d& COMw) { |
| 177 |
> |
COM_ = COM; |
| 178 |
> |
COMvel_ = COMvel; |
| 179 |
> |
COMw_ = COMw; |
| 180 |
> |
hasCOM_ = true; |
| 181 |
> |
} |
| 182 |
> |
|
| 183 |
|
DataStorage atomData; |
| 184 |
|
DataStorage rigidbodyData; |
| 185 |
|
Stats statData; |
| 195 |
|
RealType chi_; |
| 196 |
|
RealType integralOfChiDt_; |
| 197 |
|
Mat3x3d eta_; |
| 198 |
+ |
Vector3d COM_; |
| 199 |
+ |
Vector3d COMvel_; |
| 200 |
+ |
Vector3d COMw_; |
| 201 |
+ |
bool hasCOM_; |
| 202 |
|
|
| 203 |
|
int id_; /**< identification number of the snapshot */ |
| 204 |
|
}; |
