added atom styles with bonus data, also a few USER packages

This commit is contained in:
Steve Plimpton
2019-11-27 16:03:50 -07:00
parent 6c18e366d7
commit 4f6cb13592
24 changed files with 1022 additions and 7384 deletions

View File

@ -42,49 +42,26 @@ class AtomVecBody : public AtomVec {
AtomVecBody(class LAMMPS *);
~AtomVecBody();
void process_args(int, char **);
void grow(int);
void grow_reset();
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 *);
int pack_reverse_hybrid(int, int, double *);
void unpack_reverse(int, int *, double *);
int unpack_reverse_hybrid(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 *, imageint, char **);
int data_atom_hybrid(int, char **);
void data_vel(int, char **);
int data_vel_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 *);
void pack_vel(double **);
int pack_vel_hybrid(int, double *);
void write_vel(FILE *, int, double **);
int write_vel_hybrid(FILE *, double *);
bigint memory_usage();
// manipulate Bonus data structure for extra atom info
void copy_bonus(int, int, int);
void clear_bonus();
int pack_comm_bonus(int, int *, double *);
void unpack_comm_bonus(int, int, double *);
int pack_reverse_bonus(int, int, double *);
int pack_border_bonus(int, int *, double *);
int unpack_border_bonus(int, int, double *);
int pack_exchange_bonus(int, double *);
int unpack_exchange_bonus(int, double *);
int size_restart_bonus();
int pack_restart_bonus(int, double *);
int unpack_restart_bonus(int, double *);
void data_body(int, int, int, int *, double *);
bigint memory_usage_bonus();
void create_atom_post(int);
void data_atom_post(int);
void pack_data_pre(int);
void pack_data_post(int);
// methods used by other classes to query/set body info
@ -94,23 +71,16 @@ class AtomVecBody : public AtomVec {
int nlocal_bonus;
private:
tagint *tag;
int *type,*mask;
imageint *image;
double **x,**v,**f;
double *radius;
double *rmass;
double **angmom,**torque;
int *body;
int nghost_bonus,nmax_bonus;
int intdoubleratio; // sizeof(double) / sizeof(int)
int intdoubleratio; // sizeof(double) / sizeof(int)
int body_flag;
MyPoolChunk<int> *icp;
MyPoolChunk<double> *dcp;
void grow_bonus();
void copy_bonus(int, int);
void copy_bonus_all(int, int);
// check(int);
};
}