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 |
|
/** |
80 |
|
|
81 |
|
protected: |
82 |
|
|
83 |
< |
void scanFile(); |
83 |
< |
|
83 |
> |
void scanFile(); |
84 |
|
void readSet(int whichFrame); |
85 |
– |
|
85 |
|
virtual void parseDumpLine(const std::string&); |
86 |
< |
|
86 |
> |
virtual void parseSiteLine(const std::string&); |
87 |
|
virtual void readFrameProperties(std::istream& inputStream); |
88 |
< |
|
89 |
< |
void readStuntDoubles(std::istream& inputStream); |
88 |
> |
void readStuntDoubles(std::istream& inputStream); |
89 |
> |
void readSiteData(std::istream& inputStream); |
90 |
|
|
91 |
|
SimInfo* info_; |
92 |
|
|