110 lines
3.7 KiB
C++
110 lines
3.7 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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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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#ifdef ATOM_CLASS
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// clang-format off
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AtomStyle(charge/kk,AtomVecChargeKokkos);
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AtomStyle(charge/kk/device,AtomVecChargeKokkos);
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AtomStyle(charge/kk/host,AtomVecChargeKokkos);
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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_ATOM_VEC_CHARGE_KOKKOS_H
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#define LMP_ATOM_VEC_CHARGE_KOKKOS_H
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#include "atom_vec_kokkos.h"
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#include "kokkos_type.h"
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namespace LAMMPS_NS {
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class AtomVecChargeKokkos : public AtomVecKokkos {
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public:
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AtomVecChargeKokkos(class LAMMPS *);
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void grow(int) override;
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void copy(int, int, int) override;
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int pack_border(int, int *, double *, int, int *) override;
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int pack_border_vel(int, int *, double *, int, int *) override;
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int pack_border_hybrid(int, int *, double *) override;
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void unpack_border(int, int, double *) override;
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void unpack_border_vel(int, int, double *) override;
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int unpack_border_hybrid(int, int, double *) override;
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int pack_exchange(int, double *) override;
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int unpack_exchange(double *) override;
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int size_restart() override;
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int pack_restart(int, double *) override;
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int unpack_restart(double *) override;
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void create_atom(int, double *) override;
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void data_atom(double *, imageint, const std::vector<std::string> &, std::string &) override;
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int data_atom_hybrid(int , const std::vector<std::string> &, int) override;
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void pack_data(double **) override;
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int pack_data_hybrid(int, double *) override;
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void write_data(FILE *, int, double **) override;
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int write_data_hybrid(FILE *, double *) override;
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double memory_usage() override;
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void grow_pointers() override;
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int pack_border_kokkos(int n, DAT::tdual_int_2d k_sendlist,
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DAT::tdual_xfloat_2d buf,int iswap,
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int pbc_flag, int *pbc, ExecutionSpace space) override;
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void unpack_border_kokkos(const int &n, const int &nfirst,
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const DAT::tdual_xfloat_2d &buf,
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ExecutionSpace space) override;
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int pack_exchange_kokkos(const int &nsend,DAT::tdual_xfloat_2d &buf,
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DAT::tdual_int_1d k_sendlist,
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DAT::tdual_int_1d k_copylist,
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ExecutionSpace space, int dim,
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X_FLOAT lo, X_FLOAT hi) override;
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int unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf, int nrecv,
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int nlocal, int dim, X_FLOAT lo, X_FLOAT hi,
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ExecutionSpace space) override;
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void sync(ExecutionSpace space, unsigned int mask) override;
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void modified(ExecutionSpace space, unsigned int mask) override;
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void sync_overlapping_device(ExecutionSpace space, unsigned int mask) override;
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protected:
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tagint *tag;
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int *type,*mask;
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imageint *image;
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double **x,**v,**f;
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double *q;
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DAT::t_tagint_1d d_tag;
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HAT::t_tagint_1d h_tag;
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DAT::t_int_1d d_type, d_mask;
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HAT::t_int_1d h_type, h_mask;
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DAT::t_imageint_1d d_image;
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HAT::t_imageint_1d h_image;
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DAT::t_x_array d_x;
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DAT::t_v_array d_v;
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DAT::t_f_array d_f;
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DAT::t_float_1d d_q;
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HAT::t_float_1d h_q;
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DAT::tdual_int_1d k_count;
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};
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}
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#endif
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#endif
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