| 36 |
|
* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
| 37 |
|
* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
| 38 |
|
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
| 39 |
< |
* [4] Vardeman & Gezelter, in progress (2009). |
| 39 |
> |
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
| 40 |
> |
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
| 41 |
|
*/ |
| 42 |
|
|
| 43 |
|
/** |
| 125 |
|
return units_[index]; |
| 126 |
|
} |
| 127 |
|
|
| 127 |
– |
Mat3x3d getTau() { |
| 128 |
– |
return tau_; |
| 129 |
– |
} |
| 130 |
– |
|
| 131 |
– |
void setTau(const Mat3x3d& tau) { |
| 132 |
– |
tau_ = tau; |
| 133 |
– |
} |
| 134 |
– |
|
| 128 |
|
typedef std::map<std::string, Stats::StatsIndex> StatsMapType; |
| 129 |
|
static StatsMapType statsMap; |
| 130 |
|
|
| 134 |
|
RealType data_[ENDINDEX - BEGININDEX]; |
| 135 |
|
static std::string title_[ENDINDEX - BEGININDEX]; |
| 136 |
|
static std::string units_[ENDINDEX - BEGININDEX]; |
| 144 |
– |
Mat3x3d tau_; |
| 137 |
|
}; |
| 138 |
|
|
| 139 |
|
|