static void get_pull_coord_dr(const t_pull *pull, int coord_ind, const t_pbc *pbc, double t, dvec dr) { double md2; const t_pull_coord *pcrd; if (pull->eGeom == epullgDIRPBC) { md2 = -1; } else { md2 = max_pull_distance2(pull, pbc); } pcrd = &pull->coord[coord_ind]; low_get_pull_coord_dr(pull, pcrd, pbc, t, pull->group[pcrd->group[1]].x, PULL_CYL(pull) ? pull->dyna[coord_ind].x : pull->group[pcrd->group[0]].x, md2, dr); }
static void get_pullgrp_dr(const t_pull *pull,const t_pbc *pbc,int g,double t, dvec dr) { double md2; if (pull->eGeom == epullgDIRPBC) { md2 = -1; } else { md2 = max_pull_distance2(pull,pbc); } get_pullgrps_dr(pull,pbc,g,t, pull->grp[g].x, PULL_CYL(pull) ? pull->dyna[g].x : pull->grp[0].x, md2, dr); }