lisp_atom lp_defun(slist_elem* next)
{
slist* def_list=new_slist();
slist_elem* pos=0;
lisp_atom* fun=0;
lisp_atom ret;
char* sym=0;
/* if this symbol is named then we need to skip an arg*/
if(ATOM_CAST(next)->type==LTID)
{
sym=(char*)ATOM_CAST(next)->data;
pos=next->_next;
}else pos=next;
/* get params */
if(!pos||ATOM_CAST(pos)->type!=LTLIST)
LPRETURN_NIL(ret)
slist_pushb(def_list,(void*)atom_copy(ATOM_CAST(pos)));
/* get body */
pos=pos->_next;
if(!pos||ATOM_CAST(pos)->type!=LTLIST)
LPRETURN_NIL(ret)
slist_pushb(def_list,(void*)atom_copy(ATOM_CAST(pos)));
/* install macro or fn if not a lambda*/
fun=new_atom(LENORMAL,LTLISPFN,(void*)def_list);
if(sym&&!lisp_put_symbol(sym,(void*)fun))
LPRETURN_NIL(ret)
ret.type=LTLISPFN;
ret.data=(void*)fun;
return ret;
}
/*--------------------------------------------------------------------*/
int main(int argc, char **argv) {
/*--------------------------------------------------------------------*/
double cpu1;
MPI_Init(&argc,&argv); /* Initialize the MPI environment */
MPI_Comm_rank(MPI_COMM_WORLD, &sid); /* My processor ID */
/* Vector index of this processor */
vid[0] = sid/(vproc[1]*vproc[2]);
vid[1] = (sid/vproc[2])%vproc[1];
vid[2] = sid%vproc[2];
init_params();
set_topology();
init_conf();
atom_copy();
compute_accel(); /* Computes initial accelerations */
cpu1 = MPI_Wtime();
for (stepCount=1; stepCount<=StepLimit; stepCount++) {
single_step();
if (stepCount%StepAvg == 0) eval_props();
}
cpu = MPI_Wtime() - cpu1;
if (sid == 0) printf("CPU & COMT = %le %le\n",cpu,comt);
MPI_Finalize(); /* Clean up the MPI environment */
}
/*--------------------------------------------------------------------*/
void single_step() {
/*----------------------------------------------------------------------
r & rv are propagated by DeltaT using the velocity-Verlet scheme.
----------------------------------------------------------------------*/
int i,a;
half_kick(); /* First half kick to obtain v(t+Dt/2) */
for (i=0; i<n; i++) /* Update atomic coordinates to r(t+Dt) */
for (a=0; a<3; a++) r[i][a] = r[i][a] + DeltaT*rv[i][a];
atom_move();
atom_copy();
compute_accel(); /* Computes new accelerations, a(t+Dt) */
half_kick(); /* Second half kick to obtain v(t+Dt) */
}
