| 35 |
|
* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
| 36 |
|
* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
| 37 |
|
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
| 38 |
< |
* [4] Vardeman & Gezelter, in progress (2009). |
| 38 |
> |
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
| 39 |
> |
* [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * |
| 40 |
|
* |
| 40 |
– |
* |
| 41 |
|
* Triangle.hpp |
| 42 |
|
* |
| 43 |
|
* Purpose: Provide basic triangle class for OpenMD. Hates Particle class. |
| 189 |
|
RealType t2 = -a1 + b1 + c1; |
| 190 |
|
RealType t3 = a1 - b1 + c1; |
| 191 |
|
RealType t4 = a1 + b1 - c1; |
| 192 |
– |
RealType junk = t1*t2*t3*t4; |
| 192 |
|
return a1 * b1 * c1 / sqrt(t1 * t2 * t3 * t4); |
| 193 |
|
} |
| 194 |
|
|