| 35 | 
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 *                                                                       | 
| 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 | 
  | 
 */ | 
| 48 | 
  | 
 */ | 
| 49 | 
  | 
#ifndef MATH_SQUAREMATRIX3_HPP | 
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#define  MATH_SQUAREMATRIX3_HPP | 
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+ | 
#include "config.h" | 
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+ | 
#include <cmath> | 
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#include <vector> | 
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#include "Quaternion.hpp" | 
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#include "SquareMatrix.hpp" | 
| 125 | 
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     * Sets this matrix to a rotation matrix by three euler angles | 
| 126 | 
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     * @param phi | 
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     * @param theta | 
| 128 | 
< | 
     * @psi theta | 
| 128 | 
> | 
     * @param psi | 
| 129 | 
  | 
     */ | 
| 130 | 
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    void setupRotMat(Real phi, Real theta, Real psi) { | 
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      Real sphi, stheta, spsi; |