| 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 |
|
|
| 43 |
|
#include "math/CubicSpline.hpp" |
| 68 |
|
simError(); |
| 69 |
|
} |
| 70 |
|
|
| 71 |
< |
for (int i = 0; i < xps.size(); i++) |
| 71 |
> |
for (unsigned int i = 0; i < xps.size(); i++) |
| 72 |
|
data_.push_back(make_pair(xps[i], yps[i])); |
| 73 |
|
} |
| 74 |
|
|
