35 |
|
* |
36 |
|
* [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 |
< |
* [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 |
|
*/ |
63 |
|
void generate(); |
64 |
|
bool isUniform; |
65 |
|
bool generated; |
66 |
< |
RealType dx; |
67 |
< |
int n; |
66 |
> |
RealType dx, dt, yval, dydx; |
67 |
> |
int n, j; |
68 |
|
vector<pair<RealType, RealType> > data_; |
69 |
|
vector<RealType> b; |
70 |
|
vector<RealType> c; |