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added pse file
[physik/posic.git]
/
mdrun.h
diff --git
a/mdrun.h
b/mdrun.h
index
20d68d7
..
83a8196
100644
(file)
--- a/
mdrun.h
+++ b/
mdrun.h
@@
-57,8
+57,9
@@
typedef struct s_mdrun {
double timestep; // timestep
u8 potential; // potential
-
double cutoff; // cutoff radius
+ double nnd; // next neighbour distance
+
t_3dvec dim; // simulation volume
u8 pbcx; // periodic boundary conditions
u8 pbcy;