56 lines
1.3 KiB
C++
56 lines
1.3 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://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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Contributing author: Maxim Shugaev (UVA), mvs9t@virginia.edu
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------------------------------------------------------------------------- */
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#ifdef COMPUTE_CLASS
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ComputeStyle(cnt/Et_tot,ComputeCNT_Et_tot)
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#else
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#ifndef LMP_COMPUTE_CNT_ET_H
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#define LMP_COMPUTE_CNT_ET_H
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#include "compute.h"
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namespace LAMMPS_NS {
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class ComputeCNT_Et_tot : public Compute {
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public:
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ComputeCNT_Et_tot(class LAMMPS *, int, char **);
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~ComputeCNT_Et_tot() {}
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void init() {}
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double compute_scalar();
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};
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}
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Illegal compute cnt/Et_tot command
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Incorrect argument list in the compute init.
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E: Compute cnt/Et_tot must use group all
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UNSPECIFIED.
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E: cnt/Et_tot is allowed only with cnt pair style
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Use cnt pair style.
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*/ |