X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=blobdiff_plain;f=moldyn.h;h=d94e1936db73727e2638f7b7f1974f814a951c41;hb=83775c491117faa149281d0302fc8b8064d6b080;hp=f515f41059e65c1be8910018a063d3bc1ecd685e;hpb=4e6604346459a4a8619bfc45f2a4b7dbd925ae86;p=physik%2Fposic.git

diff --git a/moldyn.h b/moldyn.h
index f515f41..d94e193 100644
--- a/moldyn.h
+++ b/moldyn.h
@@ -10,6 +10,7 @@
 
 #include "math/math.h"
 #include "random/random.h"
+//#include "visual/visual.h"
 
 /* datatypes */
 
@@ -29,6 +30,10 @@ typedef struct s_moldyn {
 	int (*force)(struct s_moldyn *moldyn);
 	double cutoff_square;
 	t_3dvec dim;
+	int (*integrate)(struct s_moldyn *moldyn);
+	int time_steps;
+	double tau;
+	void *visual;
 	unsigned char status;
 } t_moldyn;
 
@@ -74,6 +79,9 @@ double get_e_pot(t_moldyn *moldyn);
 double get_total_energy(t_moldyn *moldyn);
 t_3dvec get_total_p(t_atom *atom,int count);
 
+int moldyn_integrate(t_moldyn *moldyn);
+int velocity_verlet(t_moldyn *moldyn);
+
 double potential_lennard_jones(t_moldyn *moldyn);
 int force_lennard_jones(t_moldyn *moldyn);