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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
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* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
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* [4] Vardeman & Gezelter, in progress (2009). |
39 |
> |
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
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* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
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*/ |
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/** |
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* @file DumpReader.hpp |
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* @author tlin |
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* @date 11/15/2004 |
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– |
* @time 09:25am |
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* @version 2.0 |
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*/ |
49 |
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protected: |
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82 |
< |
void scanFile(); |
83 |
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82 |
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void scanFile(); |
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void readSet(int whichFrame); |
85 |
– |
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84 |
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virtual void parseDumpLine(const std::string&); |
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< |
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85 |
> |
virtual void parseSiteLine(const std::string&); |
86 |
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virtual void readFrameProperties(std::istream& inputStream); |
87 |
< |
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88 |
< |
void readStuntDoubles(std::istream& inputStream); |
87 |
> |
void readStuntDoubles(std::istream& inputStream); |
88 |
> |
void readSiteData(std::istream& inputStream); |
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90 |
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SimInfo* info_; |
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