+ /* energy averages & fluctuations */
+ double k_m;
+ double p_m;
+ double t_m;
+ double dk2_m; /* mean square kinetic energy fluctuations */
+ double dp2_m; /* mean square potential energy fluctuations */
+ double dt2_m; /* mean square fluctuations in total energy */
+
+ /* response functions */
+ double c_v_nve; /* constant volume heat capacity (nve) */
+ double c_v_nvt; /* constant volume heat capacity (nvt) */
+