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finished diffusion code
[physik/posic.git]
/
moldyn.h
diff --git
a/moldyn.h
b/moldyn.h
index
5a10197
..
3867fc0
100644
(file)
--- a/
moldyn.h
+++ b/
moldyn.h
@@
-491,6
+491,7
@@
int moldyn_load(t_moldyn *moldyn);
int get_line(int fd,char *line,int max);
int pair_correlation_init(t_moldyn *moldyn,double dr);
int get_line(int fd,char *line,int max);
int pair_correlation_init(t_moldyn *moldyn,double dr);
+int calculate_diffusion_coefficient(t_moldyn *moldyn,double *dc);
int calculate_pair_correlation(t_moldyn *moldyn,double dr,void *ptr);
int visual_init(t_moldyn *moldyn,char *filebase);
int calculate_pair_correlation(t_moldyn *moldyn,double dr,void *ptr);
int visual_init(t_moldyn *moldyn,char *filebase);