runtime schedule adding and injection of c atoms

[physik/posic.git] / posic.h

diff --git a/posic.h b/posic.h
index 93b7219..0ca2ac8 100644 (file)
--- a/posic.h
+++ b/posic.h
@@ -17,38 +17,17 @@
 #ifndef POSIC_H
 #define POSIC_H
 
-#define LEN_X 5
-#define LX (1.0*LEN_X/2)
-#define LEN_Y 5
-#define LY (1.0*LEN_Y/2)
-#define LEN_Z 5
-#define LZ (1.0*LEN_Z/2)
+#define RUNS 10000000
+//#define TAU 0.000000000000001
+#define TAU 0.000000000001
+#define WRITE_FILE 100000
 
-#define RUNS 1000
-#define TAU 0.001
+#define TEMPERATURE 273.0 
 
-#define R_CUTOFF 2
-#define R2_CUTOFF (R_CUTOFF*R_CUTOFF)
+#define LEN_X 10
+#define LEN_Y 10
+#define LEN_Z 10
 
-#define SI_M 1
-#define SI_LC 0.543105
-#define LJ_SIGMA SI_LC
-#define LJ_SIGMA_02 (LJ_SIGMA*LJ_SIGMA)
-#define LJ_SIGMA_06 (LJ_SIGMA_02*LJ_SIGMA_02*LJ_SIGMA_02)
-#define LJ_SIGMA_12 (LJ_SIGMA_06*LJ_SIGMA_06)
-
-#define AMOUNT_SI ((LEN_X/SI_LC)*(LEN_Y/SI_LC)*(LEN_Z/SI_LC)*2)
-
-typedef struct s_atom {
-       double x;
-       double y;
-       double z;
-       double vx;
-       double vy;
-       double vz;
-       double fx;
-       double fy;
-       double fz;
-} t_atom;
+#define R_CUTOFF (0.25*LEN_Z)
 
 #endif