| 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 |
|
*/ |
| 44 |
|
* @file Stats.hpp |
| 45 |
|
* @author tlin |
| 46 |
|
* @date 11/04/2004 |
| 47 |
+ |
* @time 23:56am |
| 48 |
|
* @version 1.0 |
| 49 |
|
*/ |
| 50 |
|
|
| 97 |
|
HELFANDMOMENT, |
| 98 |
|
HEATFLUX, |
| 99 |
|
ELECTRONIC_TEMPERATURE, |
| 100 |
+ |
COM, |
| 101 |
+ |
COM_VELOCITY, |
| 102 |
+ |
ANGULAR_MOMENTUM, |
| 103 |
|
ENDINDEX //internal use |
| 104 |
|
}; |
| 105 |
|
|
| 107 |
|
string title; |
| 108 |
|
string units; |
| 109 |
|
string dataType; |
| 110 |
< |
Accumulator* accumulator; |
| 110 |
> |
BaseAccumulator* accumulator; |
| 111 |
|
}; |
| 112 |
|
|
| 113 |
|
typedef bitset<ENDINDEX-BEGININDEX> StatsBitSet; |