t_linkcell lc; /* linked cell list interface */
- int mean_skip; /* amount of steps without average calc */
+ int avg_skip; /* amount of steps without average calc */
double t_ref; /* reference temperature */
double t; /* actual temperature */
double t_sum; /* sum over all t */
- double mean_t; /* mean value of t */
+ double t_avg; /* average value of t */
t_virial virial; /* global virial (absolute coordinates) */
double gp; /* pressure computed from global virial */
double gp_sum; /* sum over all gp */
- double mean_gp; /* mean value of gp */
+ double gp_avg; /* average value of gp */
- double mean_v; /* mean of virial */
+ double virial_avg; /* average of virial */
double virial_sum; /* sum over all calculated virials */
double p_ref; /* reference pressure */
double p; /* actual pressure (computed by virial) */
double p_sum; /* sum over all p */
- double mean_p; /* mean value of p */
+ double p_avg; /* average value of p */
t_3dvec tp; /* thermodynamic pressure dU/dV */
double dv; /* dV for thermodynamic pressure calc */
/* energy averages & fluctuations */
double k_sum; /* sum of kinetic energy */
double v_sum; /* sum of potential energy */
- double k_mean; /* average of kinetic energy */
- double v_mean; /* average of potential energy */
+ double k_avg; /* average of kinetic energy */
+ double v_avg; /* average of potential energy */
double k2_sum; /* sum of kinetic energy squared */
double v2_sum; /* sum of potential energy squared */
- double k2_mean; /* average of kinetic energy squared */
- double v2_mean; /* average of potential energy squared */
- double dk2_mean; /* mean square kinetic energy fluctuations */
- double dv2_mean; /* mean square potential energy fluctuations */
+ double k2_avg; /* average of kinetic energy squared */
+ double v2_avg; /* average of potential energy squared */
+ double dk2_avg; /* mean square kinetic energy fluctuations */
+ double dv2_avg; /* mean square potential energy fluctuations */
/* response functions */
double c_v_nve; /* constant volume heat capacity (nve) */
int set_potential3b_k2(t_moldyn *moldyn,pf_func3b func);
int set_potential_params(t_moldyn *moldyn,void *params);
-int set_mean_skip(t_moldyn *moldyn,int skip);
+int set_avg_skip(t_moldyn *moldyn,int skip);
int moldyn_set_log_dir(t_moldyn *moldyn,char *dir);
int moldyn_set_report(t_moldyn *moldyn,char *author,char *title);