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pt scaling tests, though pressure estimation still a mess!
[physik/posic.git]
/
posic.h
diff --git
a/posic.h
b/posic.h
index
a26e668
..
0ca2ac8
100644
(file)
--- a/
posic.h
+++ b/
posic.h
@@
-17,23
+17,17
@@
#ifndef POSIC_H
#define POSIC_H
#ifndef POSIC_H
#define POSIC_H
-#define RUNS 15000
-#define TAU 0.001
+#define RUNS 10000000
+//#define TAU 0.000000000000001
+#define TAU 0.000000000001
+#define WRITE_FILE 100000
-#define SI_M 1
-#define SI_LC 5.43105
-#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 TEMPERATURE 273.0
-#define LEN_X
2
-#define LEN_Y
2
-#define LEN_Z
2
+#define LEN_X
10
+#define LEN_Y
10
+#define LEN_Z
10
-#define R_CUTOFF 20
-#define R2_CUTOFF (R_CUTOFF*R_CUTOFF)
-
-#define AMOUNT_SI ((LEN_X/SI_LC)*(LEN_Y/SI_LC)*(LEN_Z/SI_LC)*2)
+#define R_CUTOFF (0.25*LEN_Z)
#endif
#endif