* \param[in] sigma_r Symmetry factor, should be >= 1
* \returns The rotational entropy
*/
-double calcRotationalEntropy(real temperature,
- int natom,
- gmx_bool linear,
- rvec theta,
- real sigma_r);
+double calcRotationalEntropy(real temperature,
+ int natom,
+ gmx_bool linear,
+ const rvec theta,
+ real sigma_r);
/*! \brief Compute internal energy due to vibrational motion
*