36 |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
37 |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
38 |
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* [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 |
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*/ |
42 |
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43 |
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#include "brains/Snapshot.hpp" |
101 |
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// Create a default ForceManager: If the subclass wants to use |
102 |
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// a different ForceManager, use setForceManager |
103 |
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103 |
– |
std::cerr << __PRETTY_FUNCTION__ << "\n"; |
104 |
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forceMan_ = new ForceManager(info); |
105 |
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106 |
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// check for the temperature set flag (velocity scaling) |