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 |
|
/** |
854 |
|
MPI_Allreduce(tmpTau.getArrayPointer(), tau.getArrayPointer(), |
855 |
|
9, MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD); |
856 |
|
#endif |
857 |
< |
curSnapshot->statData.setTau(tau); |
857 |
> |
curSnapshot->setTau(tau); |
858 |
|
} |
859 |
|
|
860 |
|
} //end namespace OpenMD |