#endif
u8 bc_ij,bc_ik;
int dnlc;
-#ifdef PTHREADS
- int ret;
- pthread_t kthread[27];
- t_kdata kdata[27];
-#endif
count=moldyn->count;
itom=moldyn->atom;
atom=moldyn->atom;
#endif
-#ifdef PTHREADS
- memset(kdata,0,27*sizeof(t_kdata));
-#endif
-
/* reset energy */
moldyn->energy=0.0;
continue;
/* first loop over atoms k */
-#ifndef PTHREADS
if(moldyn->func3b_k1) {
-#endif
for(k=0;k<27;k++) {
if(ktom==&(itom[i]))
continue;
-#ifdef PTHREADS
- kdata[k].moldyn=moldyn;
- kdata[k].ai=&(itom[i]);
- kdata[k].aj=jtom;
- kdata[k].ak=ktom;
- kdata[k].bc=bc_ik;
- ret=pthread_create(&(kthread[k]),NULL,moldyn->func3b_k1,&(kdata[k]));
- if(ret) {
- perror("[moldyn] create k1 thread");
- return ret;
- }
-#else
moldyn->func3b_k1(moldyn,
&(itom[i]),
jtom,
ktom,
bc_ik|bc_ij);
-#endif
#ifdef STATIC_LISTS
}
}
-#ifndef PTHREADS
}
-#endif
if(moldyn->func3b_j2)
moldyn->func3b_j2(moldyn,