53 lines
1.4 KiB
C++
53 lines
1.4 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://www.lammps.org/, Sandia National Laboratories
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LAMMPS development team: developers@lammps.org
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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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#ifdef FIX_CLASS
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// clang-format off
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FixStyle(thermal/conductivity,FixThermalConductivity);
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// clang-format on
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#else
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#ifndef LMP_FIX_THERMAL_CONDUCTIVITY_H
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#define LMP_FIX_THERMAL_CONDUCTIVITY_H
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#include "fix.h"
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namespace LAMMPS_NS {
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class FixThermalConductivity : public Fix {
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public:
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FixThermalConductivity(class LAMMPS *, int, char **);
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~FixThermalConductivity() override;
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int setmask() override;
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void init() override;
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void end_of_step() override;
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double compute_scalar() override;
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private:
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int me;
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int edim, nbin, periodicity;
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int nswap;
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double prd, boxlo, boxhi;
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double slablo_lo, slablo_hi, slabhi_lo, slabhi_hi;
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double e_exchange;
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int nlo, nhi;
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int *index_lo, *index_hi;
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double *ke_lo, *ke_hi;
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};
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} // namespace LAMMPS_NS
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#endif
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#endif
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