X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=moldyn.h;h=5a10197199f678df1670ce62fc33868a3382bad4;hb=32377cc471f36b75710e620289e62284c28b4c76;hp=ee452286af3ad5cf1ab44f77e5a558cde03772a1;hpb=099c05fce45cacbbd7bbf6a7c5f1067e150d30ac;p=physik%2Fposic.git

diff --git a/moldyn.h b/moldyn.h
index ee45228..5a10197 100644
--- a/moldyn.h
+++ b/moldyn.h
@@ -70,7 +70,7 @@ typedef struct s_linkcell {
 	int dnlc;		/* direct neighbour lists counter */
 } t_linkcell;
 
-#define MAX_ATOMS_PER_LIST	10
+#define MAX_ATOMS_PER_LIST	20
 
 /* moldyn schedule structure */
 typedef struct s_moldyn_schedule {
@@ -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);