| 35 |
|
* |
| 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). |
| 38 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
| 39 |
|
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
| 40 |
|
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
| 41 |
|
*/ |
| 51 |
|
hasXi = false; |
| 52 |
|
} |
| 53 |
|
|
| 54 |
< |
HydroProp::HydroProp(Vector3d cor, Mat6x6d Xi, Mat6x6d D) : cor_(cor), Xi_(Xi), D_(D){ |
| 55 |
< |
hasCOR = true; |
| 56 |
< |
hasXi = true; |
| 54 |
> |
HydroProp::HydroProp(Vector3d cor, Mat6x6d Xi, Mat6x6d D) : cor_(cor), |
| 55 |
> |
Xi_(Xi), D_(D), |
| 56 |
> |
hasCOR(true), |
| 57 |
> |
hasXi(true) { |
| 58 |
|
} |
| 59 |
|
|
| 60 |
< |
HydroProp::HydroProp(const std::string frictionLine) { |
| 60 |
> |
HydroProp::HydroProp(const std::string &frictionLine) { |
| 61 |
|
|
| 62 |
|
StringTokenizer tokenizer(frictionLine); |
| 63 |
|
if (tokenizer.countTokens() >= 40) { |