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* |
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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). |
38 |
< |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
38 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
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* [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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* @file RNEMD.hpp |
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* @author gezelter |
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* @date 03/13/2009 |
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* @time 15:56pm |
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* @version 1.0 |
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*/ |
50 |
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114 |
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string title; |
115 |
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string units; |
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string dataType; |
117 |
< |
vector<Accumulator*> accumulator; |
117 |
> |
vector<BaseAccumulator*> accumulator; |
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}; |
119 |
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typedef bitset<ENDINDEX-BEGININDEX> OutputBitSet; |