52 lines
1.2 KiB
C++
52 lines
1.2 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://lammps.sandia.gov/, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifndef LMP_FIX_NH_ASPHERE_H
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#define LMP_FIX_NH_ASPHERE_H
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#include "fix_nh.h"
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namespace LAMMPS_NS {
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class FixNHAsphere : public FixNH {
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public:
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FixNHAsphere(class LAMMPS *, int, char **);
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virtual ~FixNHAsphere() {}
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void init();
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protected:
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double dtq;
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class AtomVecEllipsoid *avec;
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void nve_v();
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void nve_x();
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void nh_v_temp();
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};
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}
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#endif
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/* ERROR/WARNING messages:
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E: Compute nvt/nph/npt asphere requires atom style ellipsoid
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Self-explanatory.
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E: Fix nvt/nph/npt asphere requires extended particles
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The shape setting for a particle in the fix group has shape = 0.0,
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which means it is a point particle.
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*/
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