| 35 |
|
* |
| 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). |
| 38 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
| 39 |
|
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
| 40 |
|
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
| 41 |
|
*/ |
| 97 |
|
HELFANDMOMENT, |
| 98 |
|
HEATFLUX, |
| 99 |
|
ELECTRONIC_TEMPERATURE, |
| 100 |
+ |
COM, |
| 101 |
+ |
COM_VELOCITY, |
| 102 |
+ |
ANGULAR_MOMENTUM, |
| 103 |
|
ENDINDEX //internal use |
| 104 |
|
}; |
| 105 |
|
|
| 114 |
|
typedef map<string, StatsIndex> StatsMapType; |
| 115 |
|
|
| 116 |
|
Stats(SimInfo* info); |
| 117 |
+ |
virtual ~Stats(); |
| 118 |
|
void parseStatFileFormat(const std::string& format); |
| 119 |
|
void collectStats(); |
| 120 |
|
|