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 |
|
*/ |
93 |
|
PRESSURE_TENSOR, |
94 |
|
SYSTEM_DIPOLE, |
95 |
|
TAGGED_PAIR_DISTANCE, |
96 |
– |
RNEMD_EXCHANGE_TOTAL, |
96 |
|
SHADOWH, |
97 |
|
HELFANDMOMENT, |
98 |
|
HEATFLUX, |
104 |
|
string title; |
105 |
|
string units; |
106 |
|
string dataType; |
107 |
< |
Accumulator* accumulator; |
107 |
> |
BaseAccumulator* accumulator; |
108 |
|
}; |
109 |
|
|
110 |
|
typedef bitset<ENDINDEX-BEGININDEX> StatsBitSet; |