deleted config file (as a test)

diff --git a/config.h b/config.h
deleted file mode 100644 (file)
index b69f41a..0000000
--- a/config.h
+++ /dev/null
@@ -1,96 +0,0 @@
-/*
- * configuration file
- *
- */
-
-#include "moldyn.h"
-
-// simulation volume
-
-#define LCNTX          31
-#define LCNTY          31
-#define LCNTZ          31
-
-// initial lattice
-
-#define INIT_SI                // plain silicon
-//#define INIT_C               // plain diamond
-//#define INIT_3CSIC   // 3C-SiC
-
-// berendsen thermostat
-
-//#define T_SCALE_TAU  10.0
-#define T_SCALE_TAU    100.0
-#define P_SCALE_TAU    (0.01/(100*GPA))
-
-// prerun
-
-#define PRERUN         500
-#define PRE_TAU                1.0
-
-// insertrun
-
-#define INS_RUNS       600
-#define INS_ATOMS      10
-
-#define INS_CARBON     /* comment for silicon */
-
-#ifdef INS_CARBON
- #define INS_TYPE      C
- #define INS_MASS      M_C
- #define INS_BRAND     1
-#else
- #define INS_TYPE      SI
- #define INS_MASS      M_SI
- #define INS_BRAND     0
-#endif
-
-#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_001DB    // 001 dumbbell interstitial position
-//#define INS_USER     // user defined insertion location
- #define INS_UX                -0.25
- #define INS_UY                -0.25
- #define INS_UZ                +0.25
-
-//#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|ATOM_ATTR_VB|ATOM_ATTR_FP  // + fixed pos
-
-//#define INS_LENX     (12*ALBE_LC_SIC)
-//#define INS_LENY     (12*ALBE_LC_SIC)
-//#define INS_LENZ     (12*ALBE_LC_SIC)
-#define INS_LENX       (9*ALBE_LC_SI)
-#define INS_LENY       (9*ALBE_LC_SI)
-#define INS_LENZ       (9*ALBE_LC_SI)
-#define INS_OFFSET     (ALBE_LC_SI/8.0)
-#define INS_DYNAMIC_LEN        // with p-ctrl we have a varying volume
-
-#define INS_R_C                1.5
-#define INS_DELTA_TC   1.0
-#define INS_DELTA_PC   (1.0*BAR)
-#define INS_RELAX      100
-#define INS_TAU                1.0
-
-// postrun
-
-#define POST_RUNS      430
-#define POST_DELTA_TC  1.0
-#define POST_DELTA_PC  (1.0*BAR)
-#define POST_DT                -1.0
-#define POST_RELAX     100
-#define POST_TAU       1.0
-
-// log
-
-#define R_TITLE                "Carbon into silicon"
-#define LOG_E          10
-#define LOG_T          10
-#define LOG_P          10
-#define LOG_V          10
-#define LOG_S          2000
-#define LOG_A          2000
-
-#define AVG_SKIP       0