added very simple delta e calc script

[physik/posic.git] / moldyn.h

diff --git a/moldyn.h b/moldyn.h
index a595585981d95ffac6742251bc9021c0ecb23849..9f9d0f71fcd8f44985ab07960bac8d4bb34a51f5 100644 (file)
--- a/moldyn.h
+++ b/moldyn.h
@@ -78,6 +78,9 @@ typedef struct s_moldyn_schedule {
 
 /* moldyn main structure */
 typedef struct s_moldyn {
+       int argc;               /* number of arguments */
+       char **args;            /* pointer to arguments */
+
        int count;              /* total amount of atoms */
        double mass;            /* total system mass */
        t_atom *atom;           /* pointer to the atoms */