static void bc_pull(const t_commrec *cr, t_pull *pull) { int g; block_bc(cr, *pull); snew_bc(cr, pull->group, pull->ngroup); for (g = 0; g < pull->ngroup; g++) { bc_pull_group(cr, &pull->group[g]); } snew_bc(cr, pull->coord, pull->ncoord); nblock_bc(cr, pull->ncoord, pull->coord); }
static void bc_pull(const t_commrec *cr, pull_params_t *pull) { int g; block_bc(cr, *pull); snew_bc(cr, pull->group, pull->ngroup); for (g = 0; g < pull->ngroup; g++) { bc_pull_group(cr, &pull->group[g]); } snew_bc(cr, pull->coord, pull->ncoord); nblock_bc(cr, pull->ncoord, pull->coord); for (int c = 0; c < pull->ncoord; c++) { if (!MASTER(cr)) { pull->coord[c].externalPotentialProvider = NULL; } if (pull->coord[c].eType == epullEXTERNAL) { bc_cstring(cr, &pull->coord[c].externalPotentialProvider); } } }