74 lines
2.0 KiB
C++
74 lines
2.0 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(wall/lj93/kk,FixWallLJ93Kokkos<LMPDeviceType>);
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FixStyle(wall/lj93/kk/device,FixWallLJ93Kokkos<LMPDeviceType>);
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FixStyle(wall/lj93/kk/host,FixWallLJ93Kokkos<LMPHostType>);
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// clang-format on
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#else
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// clang-format off
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#ifndef LMP_FIX_WALL_LJ93_KOKKOS_H
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#define LMP_FIX_WALL_LJ93_KOKKOS_H
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#include "fix_wall_lj93.h"
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#include "kokkos_type.h"
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namespace LAMMPS_NS {
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template <class DeviceType>
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class FixWallLJ93Kokkos : public FixWallLJ93 {
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public:
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typedef DeviceType device_type;
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typedef ArrayTypes<DeviceType> AT;
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FixWallLJ93Kokkos(class LAMMPS *, int, char **);
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~FixWallLJ93Kokkos() override;
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void precompute(int) override;
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void post_force(int) override;
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void wall_particle(int, int, double) override;
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int m;
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typedef double value_type[];
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const int value_count = 13;
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KOKKOS_INLINE_FUNCTION
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void operator()(const int&, value_type) const;
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public:
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int dim,side;
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double coord;
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typename AT::t_x_array d_x;
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typename AT::t_f_array d_f;
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typename AT::t_int_1d d_mask;
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DAT::tdual_virial_array k_vatom;
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typename AT::t_virial_array d_vatom;
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typename AT::tdual_ffloat_1d k_cutoff,k_coeff1,k_coeff2,k_coeff3,k_coeff4,k_offset;
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typename AT::t_ffloat_1d d_cutoff,d_coeff1,d_coeff2,d_coeff3,d_coeff4,d_offset;
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KOKKOS_INLINE_FUNCTION
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void v_tally(value_type, int, int, double) const;
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};
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}
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#endif
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#endif
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