Finish moving/integrating atom_vec_dpd_kokkos into the Kokkos package

src/KOKKOS/Install.sh

@@ -47,6 +47,8 @@ action atom_vec_bond_kokkos.cpp atom_vec_bond.cpp
 action atom_vec_bond_kokkos.h atom_vec_bond.h
 action atom_vec_charge_kokkos.cpp
 action atom_vec_charge_kokkos.h
+action atom_vec_dpd_kokkos.cpp atom_vec_dpd.cpp
+action atom_vec_dpd_kokkos.h atom_vec_dpd.h
 action atom_vec_full_kokkos.cpp atom_vec_full.cpp
 action atom_vec_full_kokkos.h atom_vec_full.h
 action atom_vec_kokkos.cpp

src/USER-DPD/atom_vec_dpd_kokkos.h

@@ -1,135 +0,0 @@
-/* -*- c++ -*- ----------------------------------------------------------
-   LAMMPS - Large-scale AtomicKokkos/Molecular Massively Parallel Simulator
-   http://lammps.sandia.gov, Sandia National Laboratories
-   Steve Plimpton, sjplimp@sandia.gov
-
-   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-   certain rights in this software.  This software is distributed under
-   the GNU General Public License.
-
-   See the README file in the top-level LAMMPS directory.
-------------------------------------------------------------------------- */
-
-#ifdef ATOM_CLASS
-
-AtomStyle(dpd/kk,AtomVecDPDKokkos)
-
-#else
-
-#ifndef LMP_ATOM_VEC_DPD_KOKKOS_H
-#define LMP_ATOM_VEC_DPD_KOKKOS_H
-
-#include "atom_vec_kokkos.h"
-#include "kokkos_type.h"
-
-namespace LAMMPS_NS {
-
-class AtomVecDPDKokkos : public AtomVecKokkos {
- public:
-  AtomVecDPDKokkos(class LAMMPS *);
-  virtual ~AtomVecDPDKokkos() {}
-  void grow(int);
-  void copy(int, int, int);
-  int pack_comm(int, int *, double *, int, int *);
-  int pack_comm_vel(int, int *, double *, int, int *);
-  int pack_comm_hybrid(int, int *, double *);
-  void unpack_comm(int, int, double *);
-  void unpack_comm_vel(int, int, double *);
-  int unpack_comm_hybrid(int, int, double *);
-  int pack_reverse(int, int, double *);
-  void unpack_reverse(int, int *, double *);
-  int pack_border(int, int *, double *, int, int *);
-  int pack_border_vel(int, int *, double *, int, int *);
-  int pack_border_hybrid(int, int *, double *);
-  void unpack_border(int, int, double *);
-  void unpack_border_vel(int, int, double *);
-  int unpack_border_hybrid(int, int, double *);
-  int pack_exchange(int, double *);
-  int unpack_exchange(double *);
-  int size_restart();
-  int pack_restart(int, double *);
-  int unpack_restart(double *);
-  void create_atom(int, double *);
-  void data_atom(double *, tagint, char **);
-  int data_atom_hybrid(int, char **);
-  void pack_data(double **);
-  int pack_data_hybrid(int, double *);
-  void write_data(FILE *, int, double **);
-  int write_data_hybrid(FILE *, double *);
-  bigint memory_usage();
-
-  void grow_reset();
-  int pack_comm_kokkos(const int &n, const DAT::tdual_int_2d &k_sendlist,
-                       const int & iswap,
-                       const DAT::tdual_xfloat_2d &buf,
-                       const int &pbc_flag, const int pbc[]);
-  void unpack_comm_kokkos(const int &n, const int &nfirst,
-                          const DAT::tdual_xfloat_2d &buf);
-  int pack_comm_self(const int &n, const DAT::tdual_int_2d &list,
-                     const int & iswap, const int nfirst,
-                     const int &pbc_flag, const int pbc[]);
-  int pack_border_kokkos(int n, DAT::tdual_int_2d k_sendlist,
-                         DAT::tdual_xfloat_2d buf,int iswap,
-                         int pbc_flag, int *pbc, ExecutionSpace space);
-  void unpack_border_kokkos(const int &n, const int &nfirst,
-                            const DAT::tdual_xfloat_2d &buf,
-                            ExecutionSpace space);
-  int pack_exchange_kokkos(const int &nsend,DAT::tdual_xfloat_2d &buf,
-                           DAT::tdual_int_1d k_sendlist,
-                           DAT::tdual_int_1d k_copylist,
-                           ExecutionSpace space, int dim,
-                           X_FLOAT lo, X_FLOAT hi);
-  int unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf, int nrecv,
-                             int nlocal, int dim, X_FLOAT lo, X_FLOAT hi,
-                             ExecutionSpace space);
-
-  void sync(ExecutionSpace space, unsigned int mask);
-  void modified(ExecutionSpace space, unsigned int mask);
-  void sync_overlapping_device(ExecutionSpace space, unsigned int mask);
-  double *uCond,*uMech,*uChem,*uCG,*uCGnew,*rho,*dpdTheta;
-  double *duChem;
-
- protected:
-  DAT::t_efloat_1d d_uCond, d_uMech, d_uChem, d_uCG, d_uCGnew,d_rho,d_dpdTheta,d_duChem;
-  HAT::t_efloat_1d h_uCond, h_uMech, h_uChem, h_uCG, h_uCGnew,h_rho,h_dpdTheta,h_duChem;
-
-  tagint *tag;
-  imageint *image;
-  int *type,*mask;
-  double **x,**v,**f;
-
-  DAT::t_tagint_1d d_tag;
-  HAT::t_tagint_1d h_tag;
-  DAT::t_imageint_1d d_image;
-  HAT::t_imageint_1d h_image;
-  DAT::t_int_1d d_type, d_mask;
-  HAT::t_int_1d h_type, h_mask;
-
-  DAT::t_x_array d_x;
-  DAT::t_v_array d_v;
-  DAT::t_f_array d_f;
-  HAT::t_x_array h_x;
-  HAT::t_v_array h_v;
-  HAT::t_f_array h_f;
-
-  DAT::tdual_int_1d k_count;
-};
-
-}
-
-#endif
-#endif
-
-/* ERROR/WARNING messages:
-
-E: Per-processor system is too big
-
-The number of owned atoms plus ghost atoms on a single
-processor must fit in 32-bit integer.
-
-E: Invalid atom type in Atoms section of data file
-
-Atom types must range from 1 to specified # of types.
-
-*/