added atom styles with bonus data, also a few USER packages
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@ -42,49 +42,26 @@ class AtomVecBody : public AtomVec {
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AtomVecBody(class LAMMPS *);
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~AtomVecBody();
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void process_args(int, char **);
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void grow(int);
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void grow_reset();
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void copy(int, int, int);
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int pack_comm(int, int *, double *, int, int *);
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int pack_comm_vel(int, int *, double *, int, int *);
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int pack_comm_hybrid(int, int *, double *);
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void unpack_comm(int, int, double *);
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void unpack_comm_vel(int, int, double *);
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int unpack_comm_hybrid(int, int, double *);
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int pack_reverse(int, int, double *);
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int pack_reverse_hybrid(int, int, double *);
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void unpack_reverse(int, int *, double *);
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int unpack_reverse_hybrid(int, int *, double *);
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int pack_border(int, int *, double *, int, int *);
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int pack_border_vel(int, int *, double *, int, int *);
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int pack_border_hybrid(int, int *, double *);
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void unpack_border(int, int, double *);
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void unpack_border_vel(int, int, double *);
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int unpack_border_hybrid(int, int, double *);
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int pack_exchange(int, double *);
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int unpack_exchange(double *);
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int size_restart();
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int pack_restart(int, double *);
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int unpack_restart(double *);
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void create_atom(int, double *);
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void data_atom(double *, imageint, char **);
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int data_atom_hybrid(int, char **);
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void data_vel(int, char **);
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int data_vel_hybrid(int, char **);
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void pack_data(double **);
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int pack_data_hybrid(int, double *);
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void write_data(FILE *, int, double **);
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int write_data_hybrid(FILE *, double *);
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void pack_vel(double **);
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int pack_vel_hybrid(int, double *);
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void write_vel(FILE *, int, double **);
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int write_vel_hybrid(FILE *, double *);
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bigint memory_usage();
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// manipulate Bonus data structure for extra atom info
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void copy_bonus(int, int, int);
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void clear_bonus();
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int pack_comm_bonus(int, int *, double *);
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void unpack_comm_bonus(int, int, double *);
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int pack_reverse_bonus(int, int, double *);
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int pack_border_bonus(int, int *, double *);
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int unpack_border_bonus(int, int, double *);
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int pack_exchange_bonus(int, double *);
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int unpack_exchange_bonus(int, double *);
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int size_restart_bonus();
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int pack_restart_bonus(int, double *);
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int unpack_restart_bonus(int, double *);
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void data_body(int, int, int, int *, double *);
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bigint memory_usage_bonus();
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void create_atom_post(int);
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void data_atom_post(int);
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void pack_data_pre(int);
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void pack_data_post(int);
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// methods used by other classes to query/set body info
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@ -94,23 +71,16 @@ class AtomVecBody : public AtomVec {
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int nlocal_bonus;
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private:
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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 *radius;
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double *rmass;
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double **angmom,**torque;
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int *body;
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int nghost_bonus,nmax_bonus;
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int intdoubleratio; // sizeof(double) / sizeof(int)
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int intdoubleratio; // sizeof(double) / sizeof(int)
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int body_flag;
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MyPoolChunk<int> *icp;
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MyPoolChunk<double> *dcp;
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void grow_bonus();
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void copy_bonus(int, int);
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void copy_bonus_all(int, int);
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// check(int);
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};
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}
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