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Viewing changes to src/GRANULAR/pair_gran_hooke_history.cpp

  • Committer: Package Import Robot
  • Author(s): Anton Gladky
  • Date: 2015-04-29 23:44:49 UTC
  • mfrom: (5.1.3 experimental)
  • Revision ID: package-import@ubuntu.com-20150429234449-mbhy9utku6hp6oq8
Tags: 0~20150313.gitfa668e1-1
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src/GRANULAR/pair_gran_hooke_history.cpp
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  no_virial_fdotr_compute = 1;
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  history = 1;
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  fix_history = NULL;
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  suffix = NULL;
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  single_extra = 4;
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  svector = new double[4];
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  computeflag = 0;
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  neighprev = 0;
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  nmax = 0;
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{
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  delete [] svector;
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  if (fix_history) modify->delete_fix("SHEAR_HISTORY");
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  if (suffix) delete[] suffix;
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  if (allocated) {
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    memory->destroy(setflag);
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  if (eflag || vflag) ev_setup(eflag,vflag);
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  else evflag = vflag_fdotr = 0;
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  computeflag = 1;
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  int shearupdate = 1;
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  if (update->setupflag) shearupdate = 0;
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  // need a granular neigh list and optionally a granular history neigh list
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  int irequest = neighbor->request(this);
 
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  int irequest = neighbor->request(this,instance_me);
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  neighbor->requests[irequest]->half = 0;
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  neighbor->requests[irequest]->gran = 1;
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  if (history) {
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    irequest = neighbor->request(this);
 
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    irequest = neighbor->request(this,instance_me);
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    neighbor->requests[irequest]->id = 1;
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    neighbor->requests[irequest]->half = 0;
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    neighbor->requests[irequest]->granhistory = 1;
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    fixarg[0] = (char *) "SHEAR_HISTORY";
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    fixarg[1] = (char *) "all";
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    fixarg[2] = (char *) "SHEAR_HISTORY";
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    modify->add_fix(3,fixarg,suffix);
 
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    modify->add_fix(3,fixarg,1);
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    delete [] fixarg;
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    fix_history = (FixShearHistory *) modify->fix[modify->nfix-1];
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    fix_history->pair = this;
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  // reset neighprev to 0 as necessary
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  int jnum = list->numneigh[i];
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  int *touch = list->listgranhistory->firstneigh[i];
 
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  int *jlist = list->firstneigh[i];
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  double *allshear = list->listgranhistory->firstdouble[i];
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  for (int jj = 0; jj < jnum; jj++) {
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    neighprev++;
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    if (neighprev >= jnum) neighprev = 0;
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    if (touch[neighprev] == j) break;
 
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    if (jlist[neighprev] == j) break;
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  }
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  double *shear = &allshear[3*neighprev];
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/* ---------------------------------------------------------------------- */
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int PairGranHookeHistory::pack_comm(int n, int *list,
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                                    double *buf, int pbc_flag, int *pbc)
 
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int PairGranHookeHistory::pack_forward_comm(int n, int *list, double *buf, 
 
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                                            int pbc_flag, int *pbc)
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{
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  int i,j,m;
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    j = list[i];
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    buf[m++] = mass_rigid[j];
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  }
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  return 1;
 
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  return m;
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}
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/* ---------------------------------------------------------------------- */
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void PairGranHookeHistory::unpack_comm(int n, int first, double *buf)
 
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void PairGranHookeHistory::unpack_forward_comm(int n, int first, double *buf)
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{
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  int i,m,last;
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    mass_rigid[i] = buf[m++];
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}
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/* ---------------------------------------------------------------------- */
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void *PairGranHookeHistory::extract(const char *str, int &dim)
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{
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  dim = 0;
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  if (strcmp(str,"computeflag") == 0) return (void *) &computeflag;
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  return NULL;
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}
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/* ----------------------------------------------------------------------
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   memory usage of local atom-based arrays
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------------------------------------------------------------------------- */