static void play_loop_timer(int id, float dt)
{
float k = (fast_rotate ?
(float) config_get_d(CONFIG_ROTATE_FAST) / 100.0f :
(float) config_get_d(CONFIG_ROTATE_SLOW) / 100.0f);
float r = 0.0f;
gui_timer(id, dt);
hud_timer(dt);
switch (rot_get(&r))
{
case ROT_HOLD:
/*
* Cam 3 could be anything. But let's assume it's a manual cam
* and holding down both rotation buttons freezes the camera
* rotation.
*/
game_set_rot(0.0f);
game_set_cam(CAM_3);
break;
case ROT_ROTATE:
case ROT_NONE:
game_set_rot(r * k);
game_set_cam(config_get_d(CONFIG_CAMERA));
break;
}
game_step_fade(dt);
game_server_step(dt);
game_client_sync(demo_fp);
game_client_blend(game_server_blend());
switch (curr_status())
{
case GAME_GOAL:
progress_stat(GAME_GOAL);
goto_state(&st_goal);
break;
case GAME_FALL:
progress_stat(GAME_FALL);
goto_state(&st_fail);
break;
case GAME_TIME:
progress_stat(GAME_TIME);
goto_state(&st_fail);
break;
default:
progress_step();
break;
}
}
void xedos_hmc(int k)
{
int old_bin;
int new_bin;
int boxns = box[k].boxns;
double L_initial;
double L_final;
double U_initial;
double U_final;
double K_initial;
double K_final;
double E_initial;
double E_final;
double vscal[NBOXES];
double beta_old;
double beta_new;
vscal[k] = 1.0; // initial scale for velocity
beta_old = 1.0/sim.kT[k];
beta_new = beta_old;
vinit_hyb(k);
kinet(k);
calcvalue(k);
/* ------------------------------------ */
/* Back up coords, force, virial and */
/* energy components. */
/* ------------------------------------ */
for(int l =0; l< boxns; l++){
atom_temp[k][l] = atom[k][l];
atnopbc_temp[k][l] = atnopbc[k][l];
ff_temp[k][l] = ff[k][l];
vv_temp[k][l] = vv[k][l];
}
#ifdef PRESSURE
pvir_temp[k] = pvir[k];
#endif
en_temp[k] = en[k];
U_initial = en[k].potens;
K_initial = en[k].kinet;
E_initial = U_initial+K_initial;
end_to_end(k,SITE1,SITE2);
L_initial = ordparam[k].d_nc;
old_bin = (int) ((L_initial - sim_dos[k].l_begin)/sim_dos[k].l_width);
/* ----------------------------------------------- */
/* Propagate the system with verlet integrator. */
/* ----------------------------------------------- */
for (int j=0;j < sim_hyb.cyc_hybmd; j++){
if(sim.nsteps ==1){
integrate_vverlet(k, vscal[k]);
#ifdef DLIST
nl_check(0,box[k].boxns,k);
if(nl_flag[k] == 1) nblist(k);
#endif
}
else {
if(j==0){
force_short(k);
for(int l=0; l< box[k].boxns; l++){
ff_long[k][l].x = ff_temp[k][l].x-ff_short[k][l].x;
ff_long[k][l].y = ff_temp[k][l].y-ff_short[k][l].y;
ff_long[k][l].z = ff_temp[k][l].z-ff_short[k][l].z;
}
}
integrate_dos_mts(k,vscal[k]);
#ifdef DLIST
nl_check(0,box[k].boxns,k);
if(nl_flag[k] == 1) nblist(k);
#endif
}
#ifdef STATUS
curr_status(k,7);
#endif
}
/* ----------------------------------------------- */
/* Calculate the properties of the system. */
/* ----------------------------------------------- */
kinet(k);
calcvalue(k);
U_final = en[k].potens;
K_final = en[k].kinet;
E_final = U_final+K_final;
end_to_end(k,SITE1,SITE2);
L_final = ordparam[k].d_nc;
#ifdef WALL
int beyond_wall_flag = 0; //flag to see if particle moved past wall
//for(int i=0; i<wall[k].n; i++){
for(int j=0; j<box[k].boxns; j++){
if(atom[k][j].z < wall[k].z[0]){
beyond_wall_flag = 1;
break;
}
}
//}
/* ----------------------------------------------- */
/* Check the acceptance of the move. First check */
/* to see if the system moved out of range, then */
/* check to see if it is accepted. */
/* ----------------------------------------------- */
if (L_final >= sim_dos[k].l_begin && L_final < sim_dos[k].l_end && beyond_wall_flag == 0){
#else
if (L_final >= sim_dos[k].l_begin && L_final < sim_dos[k].l_end){
#endif
new_bin = (int) ((L_final - sim_dos[k].l_begin)/sim_dos[k].l_width);
double g_old = dos_interp(k,old_bin,L_initial);
double g_new = dos_interp(k,new_bin,L_final);
double arg = g_old - g_new + E_initial*beta_old-E_final*beta_new;
if (arg>0.0){
dos_hist[k][new_bin].h_of_l ++;
dos_hist[k][new_bin].g_of_l += sim_dos[k].mod_f;
flat_histogram(k);
#ifdef NLIST
#ifndef DLIST
if(sim_dos[k].dos_acc %sim.nlist==0) nblist(k); // call Nblist every nblist accepted moves
#endif
#ifdef DLIST
nl_check(0, boxns, k);
if(nl_flag[k] == 1) nblist(k);
#endif
#endif
sim_dos[k].dos_acc ++;
}//accepted
else if (exp(arg) > ran2()){
dos_hist[k][new_bin].h_of_l ++;
dos_hist[k][new_bin].g_of_l += sim_dos[k].mod_f;
flat_histogram(k);
#ifdef NLIST
#ifndef DLIST
if(sim_dos[k].dos_acc %sim.nlist==0) nblist(k); // call Nblist every nblist accepted moves
#endif
#ifdef DLIST
nl_check(0, boxns, k);
if(nl_flag[k] == 1) nblist(k);
#endif
#endif
sim_dos[k].dos_acc ++;
}//accepted
else{
for(int l =0; l< boxns; l++){
atom[k][l] = atom_temp[k][l]; /* Back up coordinates with pdb */
atnopbc[k][l] = atnopbc_temp[k][l]; /* Back up coordinates without pdb */
ff[k][l] = ff_temp[k][l]; /* Back to old force components */
vv[k][l] = vv_temp[k][l];
uu[k][l] = vv[k][l];
}
#ifdef PRESSURE
pvir[k] = pvir_temp[k]; /* Back to old virial components */
#endif
en[k] = en_temp[k]; /* Back to old energy components */
dos_hist[k][old_bin].h_of_l ++;
dos_hist[k][old_bin].g_of_l += sim_dos[k].mod_f;
flat_histogram(k);
end_to_end(k,SITE1,SITE2); // recompute to get back to the old
}//rejected
}
else{
for(int l =0; l< boxns; l++){
atom[k][l] = atom_temp[k][l]; /* Back up coordinates with pdb */
atnopbc[k][l] = atnopbc_temp[k][l]; /* Back up coordinates without pdb */
ff[k][l] = ff_temp[k][l]; /* Back to old force components */
vv[k][l] = vv_temp[k][l];
uu[k][l] = vv[k][l];
}
#ifdef PRESSURE
pvir[k] = pvir_temp[k]; /* Back to old virial components */
#endif
en[k] = en_temp[k]; /* Back to old energy components */
dos_hist[k][old_bin].h_of_l ++;
dos_hist[k][old_bin].g_of_l += sim_dos[k].mod_f;
flat_histogram(k);
end_to_end(k,SITE1,SITE2); // recompute to get back to the old
}//rejected
calcvalue(k); // needed to update box.variable correctly
dos_svalues(k);
}
