some initial foo checkin of posic (posic reimplemantation)

[physik/posic.git] / posic.h

diff --git a/posic.h b/posic.h
index de0106d..214f07d 100644 (file)
--- a/posic.h
+++ b/posic.h
@@ -1,11 +1,17 @@
 /*
  * posic.h - precipitation process of silicon carbide in silicon
  *
- * author: Frank Zirkelbach <hackbard@hackdaworl.org>
+ * author: Frank Zirkelbach <frank.zirkelbach@physik.uni-augsburg.de>
  *
  */
 
+#ifndef POSIC_H
+#define POSIC_H
+
+/* includes */
+
 #define _GNU_SOURCE
+
 #include <stdio.h>
 #include <stdlib.h>
 #include <string.h>
@@ -14,28 +20,19 @@
 #include <sys/stat.h>
 #include <fcntl.h>
 
-#ifndef POSIC_H
-#define POSIC_H
-
-#define RUNS 15000
-#define TAU 0.001
-
-#define TEMPERATURE 0.0
-
-#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)
+#include <math.h>
 
-#define LEN_X 2
-#define LEN_Y 2
-#define LEN_Z 2
+#include "math/math.h"
+#include "list/list.h"
+#include "visual/visual.h"
+#include "random/random.h"
 
-#define R_CUTOFF 20
-#define R2_CUTOFF (R_CUTOFF*R_CUTOFF)
+#include "potentials/harmonic_oscillator.h"
+#include "potentials/lennard_jones.h"
+#include "potentials/albe.h"
+#include "potentials/tersoff_orig.h"   // obsolete & wrong! ;)
+#include "potentials/tersoff.h"
 
-#define AMOUNT_SI ((LEN_X/SI_LC)*(LEN_Y/SI_LC)*(LEN_Z/SI_LC)*2)
+/* defines */
 
 #endif