X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=moldyn.h;fp=moldyn.h;h=d065d43e2d3420a79df50ae334f68a8ff43800dc;hb=d843bfcc38ac4ad1ceffbb82a1aba8096f791b41;hp=1e9db2a3ae3527e17b33b37dd03b641c5ddceeb9;hpb=787848dc9bf3daa2ccb76296de904688cc504a45;p=physik%2Fposic.git

diff --git a/moldyn.h b/moldyn.h
index 1e9db2a..d065d43 100644
--- a/moldyn.h
+++ b/moldyn.h
@@ -137,14 +137,22 @@ typedef struct s_moldyn {
 	double t_sum;		/* sum over all t */
 	double t_avg;		/* average value of t */
 
+	/* for sale! */
 	t_virial gvir;		/* global virial (absolute coordinates) */
-	double gv;
-	double gv_sum;
-	double gv_avg;
-
-	double gp;		/* pressure computed from global virial */
-	double gp_sum;		/* sum over all gp */
-	double gp_avg;		/* average value of gp */
+	//double gv;
+	//double gv_sum;
+	//double gv_avg;
+	double sale1;
+	double sale2;
+	double sale3;
+
+	// gp stuff exchanged by kinetic energies
+	//double gp;		/* pressure computed from global virial */
+	//double gp_sum;		/* sum over all gp */
+	//double gp_avg;		/* average value of gp */
+	double ekinx;
+	double ekiny;
+	double ekinz;
 
 	t_virial vir;		/* actual virial */
 	double virial;
@@ -258,6 +266,8 @@ typedef struct s_part_vals {
 
 #define PART_INSIDE_R   1
 #define PART_OUTSIDE_R  2
+#define PART_INSIDE_D   3
+#define PART_OUTSIDE_D  4
 
 /*
  *