From 12d708b97c3455fdb0af6c0d55cd264f7750a18f Mon Sep 17 00:00:00 2001 From: Richard Berger Date: Fri, 21 Jan 2022 18:24:06 -0500 Subject: [PATCH] Apply override to more classes --- src/AWPMD/fix_nve_awpmd.h | 14 +++++----- src/AWPMD/pair_awpmd_cut.h | 28 +++++++++---------- src/COLVARS/colvarproxy_lammps.h | 48 ++++++++++++++++---------------- src/COLVARS/fix_colvars.h | 30 ++++++++++---------- src/KIM/fix_store_kim.h | 4 +-- src/KIM/pair_kim.h | 20 ++++++------- src/PLUMED/fix_plumed.h | 24 ++++++++-------- src/POEMS/fix_poems.h | 40 +++++++++++++------------- src/SCAFACOS/scafacos.h | 14 +++++----- src/VTK/dump_vtk.h | 18 ++++++------ 10 files changed, 120 insertions(+), 120 deletions(-) diff --git a/src/AWPMD/fix_nve_awpmd.h b/src/AWPMD/fix_nve_awpmd.h index 700483ef6e..182470a702 100644 --- a/src/AWPMD/fix_nve_awpmd.h +++ b/src/AWPMD/fix_nve_awpmd.h @@ -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; diff --git a/src/AWPMD/pair_awpmd_cut.h b/src/AWPMD/pair_awpmd_cut.h index 9fb906bfd0..203552dcab 100644 --- a/src/AWPMD/pair_awpmd_cut.h +++ b/src/AWPMD/pair_awpmd_cut.h @@ -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; diff --git a/src/COLVARS/colvarproxy_lammps.h b/src/COLVARS/colvarproxy_lammps.h index e10838cc15..5dbbe8fcfe 100644 --- a/src/COLVARS/colvarproxy_lammps.h +++ b/src/COLVARS/colvarproxy_lammps.h @@ -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 *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 diff --git a/src/COLVARS/fix_colvars.h b/src/COLVARS/fix_colvars.h index d382dcf1f7..eba9b0167f 100644 --- a/src/COLVARS/fix_colvars.h +++ b/src/COLVARS/fix_colvars.h @@ -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 diff --git a/src/KIM/fix_store_kim.h b/src/KIM/fix_store_kim.h index 266f280003..d1817ceda1 100644 --- a/src/KIM/fix_store_kim.h +++ b/src/KIM/fix_store_kim.h @@ -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 &); diff --git a/src/KIM/pair_kim.h b/src/KIM/pair_kim.h index dab9dfdb4c..8c7bcbb0ef 100644 --- a/src/KIM/pair_kim.h +++ b/src/KIM/pair_kim.h @@ -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(); diff --git a/src/PLUMED/fix_plumed.h b/src/PLUMED/fix_plumed.h index 0d9e226d38..f4dce376b8 100644 --- a/src/PLUMED/fix_plumed.h +++ b/src/PLUMED/fix_plumed.h @@ -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 diff --git a/src/POEMS/fix_poems.h b/src/POEMS/fix_poems.h index 537dbdd1b1..0b610189bd 100644 --- a/src/POEMS/fix_poems.h +++ b/src/POEMS/fix_poems.h @@ -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; diff --git a/src/SCAFACOS/scafacos.h b/src/SCAFACOS/scafacos.h index b42c4df437..0ea0008c19 100644 --- a/src/SCAFACOS/scafacos.h +++ b/src/SCAFACOS/scafacos.h @@ -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; diff --git a/src/VTK/dump_vtk.h b/src/VTK/dump_vtk.h index 9f01469442..92886dc2ec 100644 --- a/src/VTK/dump_vtk.h +++ b/src/VTK/dump_vtk.h @@ -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