C++ (Cpp) make_local_pull_group Exemples

Exemple #1

Fichier : pull.c Projet : martinhoefling/gromacs

void dd_make_local_pull_groups(gmx_domdec_t *dd,t_pull *pull,t_mdatoms *md)
{
  gmx_ga2la_t ga2la;
  int g;
  
  if (dd) {
    ga2la = dd->ga2la;
  } else {
    ga2la = NULL;
  }

  if (pull->grp[0].nat > 0)
    make_local_pull_group(ga2la,&pull->grp[0],md->start,md->start+md->homenr);
  for(g=1; g<1+pull->ngrp; g++)
    make_local_pull_group(ga2la,&pull->grp[g],md->start,md->start+md->homenr);
}

Exemple #2

Fichier : pull.c Projet : exianshine/gromacs

void dd_make_local_pull_groups(gmx_domdec_t *dd, t_pull *pull, t_mdatoms *md)
{
    gmx_ga2la_t ga2la;
    int         g;

    if (dd)
    {
        ga2la = dd->ga2la;
    }
    else
    {
        ga2la = NULL;
    }

    for (g = 0; g < pull->ngroup; g++)
    {
        make_local_pull_group(ga2la, &pull->group[g],
                              md->start, md->start+md->homenr);
    }
}