/* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator http://lammps.sandia.gov, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains certain rights in this software. This software is distributed under the GNU General Public License. See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ #include "string.h" #include "atom_vec.h" #include "atom.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ AtomVec::AtomVec(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp) { nmax = 0; molecular = 0; bonds_allow = angles_allow = dihedrals_allow = impropers_allow = 0; mass_type = dipole_type = 0; comm_x_only = comm_f_only = 1; size_comm = size_reverse = size_border = 0; } /* ---------------------------------------------------------------------- unpack a single line from Velocity section of data file individual style may override this ------------------------------------------------------------------------- */ void AtomVec::data_vel(int m, char *line, int ihybrid) { int tmp; double **v = atom->v; sscanf(line,"%d %lg %lg %lg",&tmp,&v[m][0],&v[m][1],&v[m][2]); }