| 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 |
|
*/ |
| 61 |
|
public: |
| 62 |
|
RestReader(SimInfo* info, const std::string &filename, |
| 63 |
|
std::vector<int> stuntDoubleIndex) |
| 64 |
< |
: info_(info), filename_(filename){ |
| 65 |
< |
stuntDoubleIndex_ = stuntDoubleIndex; |
| 64 |
> |
: info_(info), stuntDoubleIndex_(stuntDoubleIndex), filename_(filename) { |
| 65 |
|
#ifdef IS_MPI |
| 66 |
|
|
| 67 |
|
if (worldRank == 0) { |
| 123 |
|
std::istream* inFile_; |
| 124 |
|
std::string filename_; |
| 125 |
|
|
| 126 |
< |
std::streampos framePos_; |
| 126 |
> |
long long framePos_; |
| 127 |
|
|
| 128 |
|
const static int bufferSize = 4096; |
| 129 |
|
char buffer[bufferSize]; |