| 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 |
|
*/ |
| 198 |
|
|
| 199 |
|
if (!generated) generate(); |
| 200 |
|
|
| 201 |
< |
assert(t < data_.front().first); |
| 202 |
< |
assert(t > data_.back().first); |
| 201 |
> |
assert(t > data_.front().first); |
| 202 |
> |
assert(t < data_.back().first); |
| 203 |
|
|
| 204 |
|
// Find the interval ( x[j], x[j+1] ) that contains or is nearest |
| 205 |
|
// to t. |
| 237 |
|
|
| 238 |
|
if (!generated) generate(); |
| 239 |
|
|
| 240 |
< |
assert(t < data_.front().first); |
| 241 |
< |
assert(t > data_.back().first); |
| 240 |
> |
assert(t > data_.front().first); |
| 241 |
> |
assert(t < data_.back().first); |
| 242 |
|
|
| 243 |
|
// Find the interval ( x[j], x[j+1] ) that contains or is nearest |
| 244 |
|
// to t. |