-int moldyn_usage(char **argv) {
-
- printf("\n%s usage:\n\n",argv[0]);
- printf("--- general options ---\n");
- printf("-E <steps> <file> (log total energy)\n");
- printf("-M <steps> <file> (log total momentum)\n");
- printf("-D <steps> <file> (dump total information)\n");
- printf("-S <steps> <filebase> (single save file)\n");
- printf("-V <steps> <filebase> (rasmol file)\n");
- printf("--- physics options ---\n");
- printf("-T <temperature> [K] (%f)\n",MOLDYN_TEMP);
- printf("-t <timestep tau> [s] (%.15f)\n",MOLDYN_TAU);
- printf("-C <cutoff radius> [m] (%.15f)\n",MOLDYN_CUTOFF);
- printf("-R <runs> (%d)\n",MOLDYN_RUNS);
- printf(" -- integration algo --\n");
- printf(" -I <number> (%d)\n",MOLDYN_INTEGRATE_DEFAULT);
- printf(" 0: velocity verlet\n");
- printf(" -- potential --\n");
- printf(" -P <number> <param1 param2 ...>\n");
- printf(" 0: harmonic oscillator\n");
- printf(" param1: spring constant\n");
- printf(" param2: equilibrium distance\n");
- printf(" 1: lennard jones\n");
- printf(" param1: epsilon\n");
- printf(" param2: sigma\n");
- printf("\n");
+
+int moldyn_init(t_moldyn *moldyn,int argc,char **argv) {
+
+ //int ret;
+
+ //ret=moldyn_parse_argv(moldyn,argc,argv);
+ //if(ret<0) return ret;
+
+ memset(moldyn,0,sizeof(t_moldyn));
+
+ rand_init(&(moldyn->random),NULL,1);
+ moldyn->random.status|=RAND_STAT_VERBOSE;