X-Git-Url: https://www.hackdaworld.org/gitweb/?a=blobdiff_plain;f=moldyn.h;h=5a10197199f678df1670ce62fc33868a3382bad4;hb=6a467846e1bd9212bcfd4c5ac29f8954305aaff5;hp=229074361363fb8d2601d92ef642c4825539735e;hpb=422f72e6415c6275f359fd5e462fa232e7dc2e87;p=physik%2Fposic.git diff --git a/moldyn.h b/moldyn.h index 2290743..5a10197 100644 --- a/moldyn.h +++ b/moldyn.h @@ -444,7 +444,8 @@ double get_temperature(t_moldyn *moldyn); int scale_velocity(t_moldyn *moldyn,u8 equi_init); double virial_sum(t_moldyn *moldyn); double pressure_calc(t_moldyn *moldyn); -int energy_fluctuation_calc(t_moldyn *moldyn); +int average_reset(t_moldyn *moldyn); +int average_and_fluctuation_calc(t_moldyn *moldyn); int get_heat_capacity(t_moldyn *moldyn); double thermodynamic_pressure_calc(t_moldyn *moldyn); double get_pressure(t_moldyn *moldyn);