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Apply override to more classes

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This commit is contained in:
Richard Berger
2022-01-21 18:24:06 -05:00
parent 44bc766060
commit 12d708b97c
10 changed files with 120 additions and 120 deletions
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14
src/AWPMD/fix_nve_awpmd.h
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@ -31,13 +31,13 @@ namespace LAMMPS_NS {
class FixNVEAwpmd : public Fix {
public:
FixNVEAwpmd(class LAMMPS *, int, char **);
int setmask();
virtual void init();
virtual void initial_integrate(int);
virtual void final_integrate();
void initial_integrate_respa(int, int, int);
void final_integrate_respa(int, int);
void reset_dt();
int setmask() override;
void init() override;
void initial_integrate(int) override;
void final_integrate() override;
void initial_integrate_respa(int, int, int) override;
void final_integrate_respa(int, int) override;
void reset_dt() override;
protected:
double dtv, dtf;

28
src/AWPMD/pair_awpmd_cut.h
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@ -34,22 +34,22 @@ class PairAWPMDCut : public Pair {
public:
PairAWPMDCut(class LAMMPS *);
virtual ~PairAWPMDCut();
virtual void compute(int, int);
virtual void settings(int, char **);
void coeff(int, char **);
void init_style();
~PairAWPMDCut() override;
void compute(int, int) override;
void settings(int, char **) override;
void coeff(int, char **) override;
void init_style() override;
void min_pointers(double **, double **);
double init_one(int, int);
void write_restart(FILE *);
void read_restart(FILE *);
virtual void write_restart_settings(FILE *);
virtual void read_restart_settings(FILE *);
double init_one(int, int) override;
void write_restart(FILE *) override;
void read_restart(FILE *) override;
void write_restart_settings(FILE *) override;
void read_restart_settings(FILE *) override;
void min_xf_pointers(int, double **, double **);
void min_xf_get(int);
void min_x_set(int);
double memory_usage();
void min_xf_pointers(int, double **, double **) override;
void min_xf_get(int) override;
void min_x_set(int) override;
double memory_usage() override;
private:
int flexible_pressure_flag;

48
src/COLVARS/colvarproxy_lammps.h
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@ -49,9 +49,9 @@ class colvarproxy_lammps : public colvarproxy {
friend class cvm::atom;
colvarproxy_lammps(LAMMPS_NS::LAMMPS *lmp, const char *, const char *, const int, const double,
MPI_Comm);
virtual ~colvarproxy_lammps();
~colvarproxy_lammps() override;
void init(const char *);
virtual int setup();
int setup() override;
// disable default and copy constructor
private:
@ -61,8 +61,8 @@ class colvarproxy_lammps : public colvarproxy {
// methods for lammps to move data or trigger actions in the proxy
public:
void set_temperature(double t) { t_target = t; };
bool total_forces_enabled() const { return total_force_requested; };
bool total_forces_same_step() const { return true; };
bool total_forces_enabled() const override { return total_force_requested; };
bool total_forces_same_step() const override { return true; };
bool want_exit() const { return do_exit; };
// perform colvars computation. returns biasing energy
@ -84,41 +84,41 @@ class colvarproxy_lammps : public colvarproxy {
int read_state_file(char const *state_filename);
// Request to set the units used internally by Colvars
int set_unit_system(std::string const &units_in, bool check_only);
int set_unit_system(std::string const &units_in, bool check_only) override;
inline cvm::real backend_angstrom_value() { return my_angstrom; };
inline cvm::real backend_angstrom_value() override { return my_angstrom; };
inline cvm::real boltzmann() { return my_boltzmann; };
inline cvm::real temperature() { return t_target; };
inline cvm::real dt()
inline cvm::real boltzmann() override { return my_boltzmann; };
inline cvm::real temperature() override { return t_target; };
inline cvm::real dt() override
{
return my_timestep;
}; // return _lmp->update->dt * _lmp->force->femtosecond; };
void add_energy(cvm::real energy) { bias_energy += energy; };
void request_total_force(bool yesno) { total_force_requested = yesno; };
void add_energy(cvm::real energy) override { bias_energy += energy; };
void request_total_force(bool yesno) override { total_force_requested = yesno; };
void log(std::string const &message);
void error(std::string const &message);
void log(std::string const &message) override;
void error(std::string const &message) override;
cvm::rvector position_distance(cvm::atom_pos const &pos1, cvm::atom_pos const &pos2) const;
cvm::rvector position_distance(cvm::atom_pos const &pos1, cvm::atom_pos const &pos2) const override;
int backup_file(char const *filename);
int backup_file(char const *filename) override;
cvm::real rand_gaussian(void) { return _random->gaussian(); };
cvm::real rand_gaussian(void) override { return _random->gaussian(); };
int init_atom(int atom_number);
int check_atom_id(int atom_number);
int init_atom(int atom_number) override;
int check_atom_id(int atom_number) override;
inline std::vector<int> *modify_atom_types() { return &atoms_types; }
virtual int replica_enabled();
virtual int replica_index();
virtual int num_replicas();
int replica_enabled() override;
int replica_index() override;
int num_replicas() override;
virtual void replica_comm_barrier();
virtual int replica_comm_recv(char *msg_data, int buf_len, int src_rep);
virtual int replica_comm_send(char *msg_data, int msg_len, int dest_rep);
void replica_comm_barrier() override;
int replica_comm_recv(char *msg_data, int buf_len, int src_rep) override;
int replica_comm_send(char *msg_data, int msg_len, int dest_rep) override;
};
#endif

30
src/COLVARS/fix_colvars.h
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@ -43,23 +43,23 @@ class FixColvars : public Fix {
public:
FixColvars(class LAMMPS *, int, char **);
virtual ~FixColvars();
~FixColvars() override;
virtual int setmask();
virtual void init();
virtual void setup(int);
virtual int modify_param(int, char **);
virtual void min_setup(int vflag) { setup(vflag); };
virtual void min_post_force(int);
virtual void post_force(int);
virtual void post_force_respa(int, int, int);
virtual void end_of_step();
virtual void post_run();
virtual double compute_scalar();
virtual double memory_usage();
int setmask() override;
void init() override;
void setup(int) override;
int modify_param(int, char **) override;
void min_setup(int vflag) override { setup(vflag); };
void min_post_force(int) override;
void post_force(int) override;
void post_force_respa(int, int, int) override;
void end_of_step() override;
void post_run() override;
double compute_scalar() override;
double memory_usage() override;
virtual void write_restart(FILE *);
virtual void restart(char *);
void write_restart(FILE *) override;
void restart(char *) override;
protected:
colvarproxy_lammps *proxy; // pointer to the colvars proxy class

4
src/KIM/fix_store_kim.h
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@ -71,8 +71,8 @@ namespace LAMMPS_NS {
class FixStoreKIM : public Fix {
public:
FixStoreKIM(class LAMMPS *, int, char **);
~FixStoreKIM();
int setmask();
~FixStoreKIM() override;
int setmask() override;
void setptr(const std::string &, void *);
void *getptr(const std::string &);

20
src/KIM/pair_kim.h
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@ -75,18 +75,18 @@ namespace LAMMPS_NS {
class PairKIM : public Pair {
public:
PairKIM(class LAMMPS *);
~PairKIM();
~PairKIM() override;
// LAMMPS Pair class virtual function prototypes
virtual void compute(int, int);
virtual void settings(int, char **);
virtual void coeff(int, char **);
virtual void init_style();
virtual void init_list(int id, NeighList *ptr);
virtual double init_one(int, int);
virtual int pack_reverse_comm(int, int, double *);
virtual void unpack_reverse_comm(int, int *, double *);
virtual double memory_usage();
void compute(int, int) override;
void settings(int, char **) override;
void coeff(int, char **) override;
void init_style() override;
void init_list(int id, NeighList *ptr) override;
double init_one(int, int) override;
int pack_reverse_comm(int, int, double *) override;
void unpack_reverse_comm(int, int *, double *) override;
double memory_usage() override;
// Get the KIM_Model object
KIM_Model *get_kim_model();

24
src/PLUMED/fix_plumed.h
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@ -32,18 +32,18 @@ namespace LAMMPS_NS {
class FixPlumed : public Fix {
public:
FixPlumed(class LAMMPS *, int, char **);
~FixPlumed();
int setmask();
void init();
void setup(int);
void min_setup(int);
void post_force(int);
void post_force_respa(int, int, int);
void min_post_force(int);
double compute_scalar();
void reset_dt();
int modify_param(int narg, char **arg);
double memory_usage();
~FixPlumed() override;
int setmask() override;
void init() override;
void setup(int) override;
void min_setup(int) override;
void post_force(int) override;
void post_force_respa(int, int, int) override;
void min_post_force(int) override;
double compute_scalar() override;
void reset_dt() override;
int modify_param(int narg, char **arg) override;
double memory_usage() override;
private:
PLMD::Plumed *p; // pointer to plumed object

40
src/POEMS/fix_poems.h
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@ -29,28 +29,28 @@ namespace LAMMPS_NS {
class FixPOEMS : public Fix {
public:
FixPOEMS(class LAMMPS *, int narg, char **arg);
~FixPOEMS();
int setmask();
void init();
void setup(int);
void initial_integrate(int);
void post_force(int);
void final_integrate();
void initial_integrate_respa(int, int, int);
void post_force_respa(int, int, int);
void final_integrate_respa(int, int);
~FixPOEMS() override;
int setmask() override;
void init() override;
void setup(int) override;
void initial_integrate(int) override;
void post_force(int) override;
void final_integrate() override;
void initial_integrate_respa(int, int, int) override;
void post_force_respa(int, int, int) override;
void final_integrate_respa(int, int) override;
void grow_arrays(int);
void copy_arrays(int, int, int);
int pack_exchange(int, double *);
int unpack_exchange(int, double *);
double memory_usage();
void grow_arrays(int) override;
void copy_arrays(int, int, int) override;
int pack_exchange(int, double *) override;
int unpack_exchange(int, double *) override;
double memory_usage() override;
void pre_neighbor();
int dof(int);
void deform(int);
int modify_param(int, char **);
void reset_dt();
void pre_neighbor() override;
int dof(int) override;
void deform(int) override;
int modify_param(int, char **) override;
void reset_dt() override;
private:
int me;

14
src/SCAFACOS/scafacos.h
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@ -28,13 +28,13 @@ namespace LAMMPS_NS {
class Scafacos : public KSpace {
public:
Scafacos(class LAMMPS *);
~Scafacos();
void init();
void setup() {}
void settings(int, char **);
void compute(int, int);
int modify_param(int, char **);
double memory_usage();
~Scafacos() override;
void init() override;
void setup() override {}
void settings(int, char **) override;
void compute(int, int) override;
int modify_param(int, char **) override;
double memory_usage() override;
private:
int me;

18
src/VTK/dump_vtk.h
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@ -57,9 +57,9 @@ namespace LAMMPS_NS {
class DumpVTK : public DumpCustom {
public:
DumpVTK(class LAMMPS *, int, char **);
virtual ~DumpVTK();
~DumpVTK() override;
virtual void write();
void write() override;
protected:
char *label; // string for dump file header
@ -72,12 +72,12 @@ class DumpVTK : public DumpCustom {
// private methods
virtual void init_style();
virtual void write_header(bigint);
int count();
void pack(tagint *);
virtual void write_data(int, double *);
double memory_usage();
void init_style() override;
void write_header(bigint) override;
int count() override;
void pack(tagint *) override;
void write_data(int, double *) override;
double memory_usage() override;
int parse_fields(int, char **);
void identify_vectors();
@ -85,7 +85,7 @@ class DumpVTK : public DumpCustom {
int add_fix(const char *);
int add_variable(const char *);
int add_custom(const char *, int);
virtual int modify_param(int, char **);
int modify_param(int, char **) override;
typedef void (DumpVTK::*FnPtrHeader)(bigint);
FnPtrHeader header_choice; // ptr to write header functions