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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
#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
// prerun
#define PRERUN 600
@@
-31,10
+37,10
@@
#define INS_BRAND 0
#endif
#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
#define INS_ATTR ATOM_ATTR_HB // heat bath
//#define INS_ATTR ATOM_ATTR_HB|ATOM_ATTR_VB // + vis bonds