Apply override to more classes

src/ADIOS/dump_atom_adios.h

@@ -30,12 +30,12 @@ class DumpAtomADIOS : public DumpAtom {
 
  public:
   DumpAtomADIOS(class LAMMPS *, int, char **);
-  virtual ~DumpAtomADIOS();
+  ~DumpAtomADIOS() override;
 
  protected:
-  virtual void openfile();
+  void openfile() override;
-  virtual void write();
+  void write() override;
-  virtual void init_style();
+  void init_style() override;
 
  private:
   DumpAtomADIOSInternal *internal;

src/ADIOS/dump_custom_adios.h

@@ -29,12 +29,12 @@ class DumpCustomADIOSInternal;
 class DumpCustomADIOS : public DumpCustom {
  public:
   DumpCustomADIOS(class LAMMPS *, int, char **);
-  virtual ~DumpCustomADIOS();
+  ~DumpCustomADIOS() override;
 
  protected:
-  virtual void openfile();
+  void openfile() override;
-  virtual void write();
+  void write() override;
-  virtual void init_style();
+  void init_style() override;
 
  private:
   DumpCustomADIOSInternal *internal;

src/ADIOS/reader_adios.h

@@ -34,18 +34,18 @@ class ReadADIOSInternal;
 class ReaderADIOS : public Reader {
  public:
   ReaderADIOS(class LAMMPS *);
-  virtual ~ReaderADIOS();
+  ~ReaderADIOS() override;
 
-  virtual void settings(int, char **);
+  void settings(int, char **) override;
 
-  virtual int read_time(bigint &);
+  int read_time(bigint &) override;
-  virtual void skip();
+  void skip() override;
-  virtual bigint read_header(double[3][3], int &, int &, int, int, int *, char **, int, int, int &,
+  bigint read_header(double[3][3], int &, int &, int, int, int *, char **, int, int, int &,
-                             int &, int &, int &);
+                     int &, int &, int &) override;
-  virtual void read_atoms(int, int, double **);
+  void read_atoms(int, int, double **) override;
 
-  virtual void open_file(const char *);
+  void open_file(const char *) override;
-  virtual void close_file();
+  void close_file() override;
 
  private:
   int *fieldindex;         // mapping of input fields to dump

src/ATC/fix_atc.h

@@ -37,91 +37,91 @@ class FixATC : public Fix {
  public:
   /** constructor & destructor */
   FixATC(class LAMMPS *, int, char **);
-  ~FixATC();
+  ~FixATC() override;
 
   /** initialization functions */
-  void init();
+  void init() override;
-  void init_list(int id, NeighList *ptr);
+  void init_list(int id, NeighList *ptr) override;
-  void setup(int vflag);
+  void setup(int vflag) override;
-  void min_setup(int vflag);
+  void min_setup(int vflag) override;
 
   /** setmask: tell LAMMPS which fix methods to call */
-  int setmask();
+  int setmask() override;
 
   /** initial_integrate */
-  void initial_integrate(int vflag);
+  void initial_integrate(int vflag) override;
 
   /** after first integrate phase */
-  void post_integrate();
+  void post_integrate() override;
 
   /** final_integrate */
-  void final_integrate();
+  void final_integrate() override;
 
   /** end of step for run or minimize */
-  void end_of_step();
+  void end_of_step() override;
 
   /** pre_exchange is used to modify fix-specific data
        and is called before domain->pbc() and comm->exchange().  */
-  void setup_pre_exchange();
+  void setup_pre_exchange() override;
-  void pre_exchange();
+  void pre_exchange() override;
-  void min_pre_exchange();
+  void min_pre_exchange() override;
 
-  double memory_usage();
+  double memory_usage() override;
-  void grow_arrays(int);
+  void grow_arrays(int) override;
-  void copy_arrays(int, int, int);
+  void copy_arrays(int, int, int) override;
 
   /** pack_exchange called from atom_vec->pack_exchange()
        and packs fix-specific data for a given real (local)
        atom being sent to another processor.  */
-  int pack_exchange(int, double *);
+  int pack_exchange(int, double *) override;
 
   /** unpack_exchange called from atom_vec->unpack_exchange()
        and unpacks fix-specific data for a given real (local)
        atom received from another processor. */
-  int unpack_exchange(int, double *);
+  int unpack_exchange(int, double *) override;
 
   /** pack_comm called from comm->forward_comm_fix and
        packs fix-specific data for a given ghost atom
        from exchange with another proc */
-  int pack_forward_comm(int, int *, double *, int, int *);
+  int pack_forward_comm(int, int *, double *, int, int *) override;
 
   /** unpack_comm called from comm->forward_comm_fix and
        unpacks fix-specific data for a given ghost atom
        from exchange with another proc */
-  void unpack_forward_comm(int, int, double *);
+  void unpack_forward_comm(int, int, double *) override;
 
   /** pre_neighbor is used to modify fix-specific data
        and is called before neighbor list is built in
        neighbor->build().  */
-  void pre_neighbor();
+  void pre_neighbor() override;
-  void setup_pre_neighbor();
+  void setup_pre_neighbor() override;
 
   /** pre/post_force is used to modify fix-specific data
         and is before/after the various force computations. */
-  void pre_force(int vflag);
+  void pre_force(int vflag) override;
-  void post_force(int vflag);
+  void post_force(int vflag) override;
 
   /** post_run is called after a run completes */
-  void post_run();
+  void post_run() override;
 
   /** min_pre_force is called before forces are calculated in minimize */
-  void min_pre_force(int vflag);
+  void min_pre_force(int vflag) override;
 
   /** min_post_force is called after forces are calculated in minimize */
-  void min_post_force(int vflag);
+  void min_post_force(int vflag) override;
 
   /** modify atc parameters (parser) */
-  int modify_param(int narg, char **arg);
+  int modify_param(int narg, char **arg) override;
 
   /** calls ATC_Method to handle restarting/checkpointing */
   /** these four methods are for writing per-atom quantities */
-  int pack_restart(int, double *);
+  int pack_restart(int, double *) override;
-  void unpack_restart(int, int);
+  void unpack_restart(int, int) override;
-  int size_restart(int);
+  int size_restart(int) override;
-  int maxsize_restart();
+  int maxsize_restart() override;
   /** these two methods are for writing all other quantities */
-  void write_restart(FILE *);
+  void write_restart(FILE *) override;
-  void restart(char *);
+  void restart(char *) override;
 
   /** accessor function for ATC_Method class pointer */
   const ATC::ATC_Method *atc() { return atc_; }
@@ -130,9 +130,9 @@ class FixATC : public Fix {
   LAMMPS *lammps_;
 
   /** functions for "thermo" output */
-  virtual double compute_scalar();
+  double compute_scalar() override;
-  virtual double compute_vector(int n);
+  double compute_vector(int n) override;
-  virtual double compute_array(int irow, int icol);
+  double compute_array(int irow, int icol) override;
   double dtv, dtf;
   ATC::ATC_Method *atc_;
 };

src/H5MD/dump_h5md.h

@@ -29,7 +29,7 @@ namespace LAMMPS_NS {
 class DumpH5MD : public Dump {
  public:
   DumpH5MD(class LAMMPS *, int, char **);
-  virtual ~DumpH5MD();
+  ~DumpH5MD() override;
 
  private:
   int natoms, ntotal;
@@ -57,12 +57,12 @@ class DumpH5MD : public Dump {
   int *dump_charge;
   int every_charge;
 
-  void init_style();
+  void init_style() override;
-  int modify_param(int, char **);
+  int modify_param(int, char **) override;
-  void openfile();
+  void openfile() override;
-  void write_header(bigint);
+  void write_header(bigint) override;
-  void pack(tagint *);
+  void pack(tagint *) override;
-  void write_data(int, double *);
+  void write_data(int, double *) override;
 
   void write_frame();
   void write_fixed_frame();

src/KOKKOS/fix_langevin_kokkos.h

@@ -72,17 +72,17 @@ namespace LAMMPS_NS {
   class FixLangevinKokkos : public FixLangevin {
    public:
     FixLangevinKokkos(class LAMMPS *, int, char **);
-    ~FixLangevinKokkos();
+    ~FixLangevinKokkos() override;
 
     void cleanup_copy();
-    void init();
+    void init() override;
-    void initial_integrate(int);
+    void initial_integrate(int) override;
-    void post_force(int);
+    void post_force(int) override;
-    void reset_dt();
+    void reset_dt() override;
-    void grow_arrays(int);
+    void grow_arrays(int) override;
-    void copy_arrays(int i, int j, int delflag);
+    void copy_arrays(int i, int j, int delflag) override;
-    double compute_scalar();
+    double compute_scalar() override;
-    void end_of_step();
+    void end_of_step() override;
 
     KOKKOS_INLINE_FUNCTION
       void initial_integrate_item(int) const;

src/PYTHON/fix_python_invoke.h

@@ -28,10 +28,10 @@ namespace LAMMPS_NS {
 class FixPythonInvoke : public Fix {
  public:
   FixPythonInvoke(class LAMMPS *, int, char **);
-  virtual ~FixPythonInvoke();
+  ~FixPythonInvoke() override;
-  int setmask();
+  int setmask() override;
-  virtual void end_of_step();
+  void end_of_step() override;
-  virtual void post_force(int);
+  void post_force(int) override;
 
  private:
   void *lmpPtr;

src/PYTHON/fix_python_move.h

@@ -37,15 +37,15 @@ namespace LAMMPS_NS {
 class FixPythonMove : public Fix {
  public:
   FixPythonMove(LAMMPS *lmp, int narg, char **arg);
-  virtual ~FixPythonMove();
+  ~FixPythonMove() override;
 
-  int setmask();
+  int setmask() override;
-  virtual void init();
+  void init() override;
-  virtual void initial_integrate(int);
+  void initial_integrate(int) override;
-  virtual void final_integrate();
+  void final_integrate() override;
-  virtual void initial_integrate_respa(int, int, int);
+  void initial_integrate_respa(int, int, int) override;
-  virtual void final_integrate_respa(int, int);
+  void final_integrate_respa(int, int) override;
-  virtual void reset_dt();
+  void reset_dt() override;
 
  protected:
   void *py_move;

src/PYTHON/pair_python.h

@@ -37,12 +37,12 @@ namespace LAMMPS_NS {
 class PairPython : public Pair {
  public:
   PairPython(class LAMMPS *);
-  virtual ~PairPython();
+  ~PairPython() override;
-  virtual void compute(int, int);
+  void compute(int, int) override;
-  void settings(int, char **);
+  void settings(int, char **) override;
-  void coeff(int, char **);
+  void coeff(int, char **) override;
-  double init_one(int, int);
+  double init_one(int, int) override;
-  double single(int, int, int, int, double, double, double, double &);
+  double single(int, int, int, int, double, double, double, double &) override;
 
  protected:
   double cut_global;

src/PYTHON/python_impl.h

@@ -23,15 +23,15 @@ class PythonImpl : protected Pointers, public PythonInterface {
 
  public:
   PythonImpl(class LAMMPS *);
-  ~PythonImpl();
+  ~PythonImpl() override;
-  void command(int, char **);
+  void command(int, char **) override;
-  void invoke_function(int, char *);
+  void invoke_function(int, char *) override;
-  int find(const char *);
+  int find(const char *) override;
-  int variable_match(const char *, const char *, int);
+  int variable_match(const char *, const char *, int) override;
-  char *long_string(int);
+  char *long_string(int) override;
-  int execute_string(char *);
+  int execute_string(char *) override;
-  int execute_file(char *);
+  int execute_file(char *) override;
-  bool has_minimum_version(int major, int minor);
+  bool has_minimum_version(int major, int minor) override;
   static void finalize();
 
  private:

src/exceptions.h

@@ -26,9 +26,7 @@ class LAMMPSException : public std::exception {
 
   LAMMPSException(const std::string &msg) : message(msg) {}
 
-  ~LAMMPSException() noexcept {}
+  const char *what() const noexcept override { return message.c_str(); }
-
-  virtual const char *what() const noexcept { return message.c_str(); }
 };
 
 class LAMMPSAbortException : public LAMMPSException {

src/lmppython.h

@@ -34,7 +34,7 @@ class PythonInterface {
 class Python : protected Pointers {
  public:
   Python(class LAMMPS *);
-  ~Python();
+  ~Python() override;
 
   void command(int, char **);
   void invoke_function(int, char *);

src/procmap.h

@@ -21,7 +21,7 @@ namespace LAMMPS_NS {
 class ProcMap : protected Pointers {
  public:
   ProcMap(class LAMMPS *);
-  ~ProcMap() {}
+
   void onelevel_grid(int, int *, int *, int, int, int *, int *);
   void twolevel_grid(int, int *, int *, int, int *, int *, int, int, int *, int *);
   void numa_grid(int, int *, int *, int *);