| 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 |
|
*/ |
| 125 |
|
* Sets this matrix to a rotation matrix by three euler angles |
| 126 |
|
* @param phi |
| 127 |
|
* @param theta |
| 128 |
< |
* @psi theta |
| 128 |
> |
* @param psi |
| 129 |
|
*/ |
| 130 |
|
void setupRotMat(Real phi, Real theta, Real psi) { |
| 131 |
|
Real sphi, stheta, spsi; |