Homec4science
Diffusion lammps (efficient_neuronet) Browse

lammps/src/atom_vec.cpp
4ba21107a120efficient_neuronet

Last Change
Raw File

atom_vec.cpp
View Options

/* ----------------------------------------------------------------------
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 "stdlib.h"
#include "atom_vec.h"
#include "atom.h"
#include "domain.h"
#include "error.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
AtomVec::AtomVec(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
{
nmax = 0;
bonds_allow = angles_allow = dihedrals_allow = impropers_allow = 0;
mass_type = dipole_type = 0;
size_data_bonus = 0;
cudable = false;
}
/* ----------------------------------------------------------------------
copy of velocity remap settings from Domain
------------------------------------------------------------------------- */
void AtomVec::init()
{
deform_vremap = domain->deform_vremap;
deform_groupbit = domain->deform_groupbit;
h_rate = domain->h_rate;
if (lmp->cuda != NULL && cudable == false)
error->all(FLERR,"USER-CUDA package requires a cuda enabled atom_style");
}
/* ----------------------------------------------------------------------
unpack one line from Velocities section of data file
------------------------------------------------------------------------- */
void AtomVec::data_vel(int m, char **values)
{
double **v = atom->v;
v[m][0] = atof(values[0]);
v[m][1] = atof(values[1]);
v[m][2] = atof(values[2]);
}
c4science · Help