| 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 |
|
#ifndef APPLICATIONS_STATICPROPS_P2ORDERPARAMETER_HPP |
| 43 |
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#define APPLICATIONS_STATICPROPS_P2ORDERPARAMETER_HPP |
| 62 |
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RealType p2; |
| 63 |
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Vector3d director; |
| 64 |
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RealType angle; |
| 64 |
– |
RealType p4; |
| 65 |
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}; |
| 66 |
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|
| 67 |
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void writeP2(); |
| 75 |
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SelectionManager seleMan2_; |
| 76 |
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SelectionEvaluator evaluator1_; |
| 77 |
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SelectionEvaluator evaluator2_; |
| 78 |
– |
vector<pair<StuntDouble*, StuntDouble*> > sdPairs_; /**< each pair is used |
| 79 |
– |
to define a vector, |
| 80 |
– |
v = first - second |
| 81 |
– |
*/ |
| 78 |
|
vector<OrderParam> orderParams_; |
| 79 |
|
|
| 80 |
|
}; |