initial lattice control

[physik/posic.git] / config.h

diff --git a/config.h b/config.h
index c46bca1..2e8d88b 100644 (file)
--- a/config.h
+++ b/config.h
@@ -9,6 +9,12 @@
 #define LCNTY          31
 #define LCNTZ          31
 
+// initial lattice
+
+#define INIT_SI                // plain silicon
+//#define INIT_C               // plain diamond
+//#define INIT_3CSIC   // 3C-SiC
+
 // prerun
 
 #define PRERUN         600
@@ -31,10 +37,10 @@
  #define INS_BRAND     0
 #endif
 
-#define INS_RAND       0
-//#define INS_HEXA     1
-//#define INS_TETRA    2
-//#define INS_110DB    3
+#define INS_RAND       // random nsert
+//#define INS_HEXA     // hexagonal interstitial position
+//#define INS_TETRA    // tetrahedral interstitial position
+//#define INS_110DB    // 110 dumbbell interstitial position
 
 #define INS_ATTR       ATOM_ATTR_HB                            // heat bath
 //#define INS_ATTR     ATOM_ATTR_HB|ATOM_ATTR_VB               // + vis bonds