X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=posic.h;h=0ca2ac88386ba720452b86fd448c2afb625fe7d6;hb=refs%2Fheads%2Forigin;hp=93b7219bd6262d70acadf658b5ec6d8a2b3c7318;hpb=9ae5e8af9192b47fba3743ab7f4ef6d0c34d507d;p=physik%2Fposic.git diff --git a/posic.h b/posic.h index 93b7219..0ca2ac8 100644 --- a/posic.h +++ b/posic.h @@ -17,38 +17,17 @@ #ifndef POSIC_H #define POSIC_H -#define LEN_X 5 -#define LX (1.0*LEN_X/2) -#define LEN_Y 5 -#define LY (1.0*LEN_Y/2) -#define LEN_Z 5 -#define LZ (1.0*LEN_Z/2) +#define RUNS 10000000 +//#define TAU 0.000000000000001 +#define TAU 0.000000000001 +#define WRITE_FILE 100000 -#define RUNS 1000 -#define TAU 0.001 +#define TEMPERATURE 273.0 -#define R_CUTOFF 2 -#define R2_CUTOFF (R_CUTOFF*R_CUTOFF) +#define LEN_X 10 +#define LEN_Y 10 +#define LEN_Z 10 -#define SI_M 1 -#define SI_LC 0.543105 -#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 AMOUNT_SI ((LEN_X/SI_LC)*(LEN_Y/SI_LC)*(LEN_Z/SI_LC)*2) - -typedef struct s_atom { - double x; - double y; - double z; - double vx; - double vy; - double vz; - double fx; - double fy; - double fz; -} t_atom; +#define R_CUTOFF (0.25*LEN_Z) #endif