void get_forces(struct chain_param *chain_pm, struct monomer *monomers, Float ***velcs_df, int n_step, VSLStreamStatePtr rngstream)
{
extern int n_proc, num_proc;
extern int num_x;
extern int max_x, max_y, max_z;
extern int wall_flag;
int mon_proc;
int num_beads, Nbead;
int i, j;
int n1, n2;
int s_type = 1; /* spring type : 0 = FENE, 1=WLC */
int ev_type = 1; /* ev type: 0=HS, 1=WCA, 2=Gaussian */
int maxsize[DIMS];
int max_N_flag=0;
double send_buffer[2*DIMS+1];
char filename[80];
FILE *stream;
maxsize[0]=max_x;
maxsize[1]=max_y;
maxsize[2]=max_z;
num_beads = chain_pm->num_beads;
Nbead = chain_pm->num_beads / chain_pm->Nchain;
for(j=0; j<DIMS; j++)
monomers[0].force[j] = monomers[0].f_ext[j];
for(n1=1; n1<num_beads; n1++)
for(j=0; j<DIMS; j++)
monomers[n1].force[j] = 0.0;
/* Calculate spring and exc. vol. forces if # of beads > 1 */
if(num_beads > 1) {
spring_force(chain_pm, monomers); /* 0 = FENE, 1=WLC */
/*excluded volume forces */
if(num_beads < 200)
ev_force(monomers[0].radius, chain_pm, monomers);
else {
for(n1=0; n1<num_beads; n1++)
if(monomers[n1].list[0] >= MAX_N-1) max_N_flag = 1;
if(max_N_flag == 1)
ev_force(monomers[0].radius, chain_pm, monomers);
else ev_force_nlist(monomers[0].radius, chain_pm, monomers);
}
}
for(n1=0; n1<num_beads; n1++)
for(j=0; j<DIMS; j++) {
monomers[n1].force[j] *= chain_pm->monmass;
monomers[n1].f_int[j] = monomers[n1].force[j];
}
/*hydrodynamic and fluctuation forces */
hi_force(monomers, velcs_df, chain_pm->fric, chain_pm->MD_steps, chain_pm->dt, num_beads, chain_pm->monmass, rngstream);
if(wall_flag > 0)
wall_force(chain_pm, monomers);
/* send forces and fluid_vel back to proc 0 then broadcast from 0 */
for(n1=0; n1< num_beads; n1++) {
mon_proc = (int)(monomers[n1].pos[0]/num_x);
send_buffer[0]=n1;
for(i=0; i<DIMS; i++) {
send_buffer[i+1]=monomers[n1].force[i];
send_buffer[i+DIMS+1]=monomers[n1].fluid_vel[i];
}
vector_copy(send_buffer, 2*DIMS+1, n_proc, mon_proc, 0);
for(i=0; i<DIMS; i++) {
monomers[(int)send_buffer[0]].force[i]=send_buffer[i+1];
monomers[(int)send_buffer[0]].fluid_vel[i]=send_buffer[i+1+DIMS];
}
}
sync_procs();
for(n1=0; n1< num_beads; n1++) {
broad_cast(monomers[n1].force, DIMS, 0);
broad_cast(monomers[n1].fluid_vel, DIMS, 0);
}
}
int wall_bounceback(struct fluid_node(*state_o)[LXMAX])
{
int i,j,xi4,xi5,xi6,xi7,xi8,xo4,xo5,xo6,xo7,xo8,yi4,yi5,yi6,yi7,yi8,yo4,yo5,yo6,yo7,yo8;
int k,kk;
double *p,*q,tmp,tmp1,rho;
//******bounce back on top and bottom wall*********/
for(i=0;i<lx;i++){
//*****link 7*****/
k=7;
kk=3;
xi7=i;
yi7=0;
xo7=i;
yo7=ly-1;
p=state_o[yi7][xi7].df;
q=state_o[yo7][xo7].df;
tmp=p[kk];
p[kk]=q[k];
q[k]=tmp;
//wall force for top wall for k=7
rho=rho_a[yo7][xo7];
tmp1=wall_force(xo7,yo7,rho,k,u_lid);
//wall[1].wf+=xk[k]*(-tmp1-q[k]-q[k]);
q[k]+=tmp1;
//wall force for bottom wall for k=7
rho=rho_a[yi7][xi7];
tmp=wall_force(xi7,yi7,rho,kk,u_bottom);
//wall[0].wf+=xk[kk]*(-tmp-p[kk]-p[kk]);
p[kk]+=tmp;
//link 8
k=8;
kk=4;
xi8=i;
yi8=0;
xo8=(i+1)%lx;
yo8=ly-1;
p=state_o[yi8][xi8].df;
q=state_o[yo8][xo8].df;
tmp=p[kk];
p[kk]=q[k];
q[k]=tmp;
//wall force for top wall for k=8
rho=rho_a[yo8][xo8];
tmp1=wall_force(xo8,yo8,rho,k,u_lid);
//wall[1].wf+=xk[k]*(-tmp1-q[k]-q[k]);
q[k]+=tmp1;
//wall force for bottom wall for k=8
rho=rho_a[yi8][xi8];
tmp=wall_force(xi8,yi8,rho,kk,u_bottom);
//wall[0].wf+=xk[kk]*(-tmp-p[kk]-p[kk]);
p[kk]+=tmp;
//link 6
k=6;
kk=2;
xi6=i;
yi6=0;
xo6=(i-1+lx)%lx;
yo6=ly-1;
p=state_o[yi6][xi6].df;
q=state_o[yo6][xo6].df;
tmp=p[kk];
p[kk]=q[k];
q[k]=tmp;
//wall force for top wall for k=6
rho=rho_a[yo6][xo6];
tmp1=wall_force(xo6,yo6,rho,k,u_lid);
//wall[1].wf+=xk[k]*(-tmp1-q[k]-q[k]);
q[k]+=tmp1;
//wall force for bottom wall for k=6
rho=rho_a[yi6][xi6];
tmp=wall_force(xi6,yi6,rho,kk,u_bottom);
//wall[0].wf+=xk[kk]*(-tmp-p[kk]-p[kk]);
p[kk]+=tmp;
}
//******bounce back on left and right wall*********/
for(j=0;j<ly;j++){
//*****link 5*****/
k=5;
kk=1;
xi5=0;
yi5=j;
xo5=lx-1;
yo5=j;
// p=[j][0].df
// q=[j][lx-1]
p=state_o[yi5][xi5].df;
q=state_o[yo5][xo5].df;
tmp=p[kk];
p[kk]=q[k];
q[k]=tmp;
//wall force for right wall for k=5
rho=rho_a[yo5][xo5];
tmp1=wall_force(xo5,yo5,rho,k,u_right);
//wall[1].wf+=xk[k]*(-tmp1-q[k]-q[k]);
q[k]+=tmp1;
//wall force for left wall for k=5
rho=rho_a[yi5][xi5];
tmp=wall_force(xi5,yi5,rho,kk,u_left);
//wall[0].wf+=xk[kk]*(-tmp-p[kk]-p[kk]);
p[kk]+=tmp;
//link 4
// Ahmad added this if condition because we do not want to do this twice.
if(j!=ly-1)
{
k=4;
kk=8;
xi4=0;
yi4=j;
xo4=lx-1;
yo4=(j+1)%ly;
// p=[j][0].df[8]
// q=[j+1][lx-1].df[4]
p=state_o[yi4][xi4].df;
q=state_o[yo4][xo4].df;
tmp=p[kk];
p[kk]=q[k];
q[k]=tmp;
//wall force for right wall for k=4
rho=rho_a[yo4][xo4];
tmp1=wall_force(xo4,yo4,rho,k,u_right);
//wall[1].wf+=xk[k]*(-tmp1-q[k]-q[k]);
q[k]+=tmp1;
//wall force for left wall for k=4
rho=rho_a[yi4][xi4];
tmp=wall_force(xi4,yi4,rho,kk,u_left);
//wall[0].wf+=xk[kk]*(-tmp-p[kk]-p[kk]);
p[kk]+=tmp;
}
//link 6
// Ahmad fixed this sequential code here by adding an if condition.
// FIXME: Someone not sleepy should check this.
if(j!=0)
{
k=6;
kk=2;
xi6=0;
yi6=j;
xo6=lx-1;
yo6=(j-1+ly)%ly;
// p=[j][0].df[2]
// q=[j-1][lx-1].df[6]
p=state_o[yi6][xi6].df;
q=state_o[yo6][xo6].df;
tmp=p[kk];
p[kk]=q[k];
q[k]=tmp;
//wall force for right wall for k=6
rho=rho_a[yo6][xo6];
tmp1=wall_force(xo6,yo6,rho,k,u_right);
//wall[1].wf+=xk[k]*(-tmp1-q[k]-q[k]);
q[k]+=tmp1;
//wall force for left wall for k=6
rho=rho_a[yi6][xi6];
tmp=wall_force(xi6,yi6,rho,kk,u_left);
//wall[0].wf+=xk[kk]*(-tmp-p[kk]-p[kk]);
p[kk]+=tmp;
}
}
return 0;
}
