36 |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
37 |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
38 |
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* [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 |
|
|