Ejemplo n.º 1
0
static void copy_state_nonatomdata(t_state *state, t_state *state_local)
{
    /* When t_state changes, this code should be updated. */
    int ngtc, nnhpres;
    ngtc    = state->ngtc * state->nhchainlength;
    nnhpres = state->nnhpres* state->nhchainlength;
    scopy_rvecs(box, DIM);
    scopy_rvecs(box_rel, DIM);
    scopy_rvecs(boxv, DIM);
    state_local->veta = state->veta;
    state_local->vol0 = state->vol0;
    scopy_rvecs(svir_prev, DIM);
    scopy_rvecs(fvir_prev, DIM);
    scopy_rvecs(pres_prev, DIM);
    scopy_doubles(nosehoover_xi, ngtc);
    scopy_doubles(nosehoover_vxi, ngtc);
    scopy_doubles(nhpres_xi, nnhpres);
    scopy_doubles(nhpres_vxi, nnhpres);
    scopy_doubles(therm_integral, state->ngtc);
    scopy_rvecs(x, state->natoms);
    scopy_rvecs(v, state->natoms);
    scopy_rvecs(sd_X, state->natoms);
    copy_ints(&(state->fep_state), &(state_local->fep_state), 1);
    scopy_reals(lambda, efptNR);
}
Ejemplo n.º 2
0
int main(int len, char *args[])
{
	if (len <= 1) {
		printf("No input file\n");
		exit(1);
	}
	int *all = (int *) malloc(sizeof(int) * LEN);
	int num = read_ints(all, args[1]);
	int *all1 = copy_ints(num,all);
	int *all2 = copy_ints(num,all);
	long l1 = quick_sort(all,0,num-1,_partition_first);
	long l2 = quick_sort(all1,0,num-1,_partition_mid);
	long l3 = quick_sort(all2,0,num-1,_partition_end);
	printf("%ld,%ld,%ld\n",l1,l2,l3);
//	int *help = (int *) malloc(sizeof(int) * LEN);
//	long res = merge_sort_cal_inversions(all, help, 0, num-1);
//	printf("result : %ld\n", res);
	free(all);
	free(all1);
	free(all2);
}