Merge remote-tracking branch 'origin/develop' into kokkos_cleanup

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();
-  virtual void write();
-  virtual void init_style();
+  void openfile() override;
+  void write() override;
+  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();
-  virtual void write();
-  virtual void init_style();
+  void openfile() override;
+  void write() override;
+  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 &);
-  virtual void skip();
-  virtual bigint read_header(double[3][3], int &, int &, int, int, int *, char **, int, int, int &,
-                             int &, int &, int &);
-  virtual void read_atoms(int, int, double **);
+  int read_time(bigint &) override;
+  void skip() override;
+  bigint read_header(double[3][3], int &, int &, int, int, int *, char **, int, int, int &,
+                     int &, int &, int &) override;
+  void read_atoms(int, int, double **) override;
 
-  virtual void open_file(const char *);
-  virtual void close_file();
+  void open_file(const char *) override;
+  void close_file() override;
 
  private:
   int *fieldindex;         // mapping of input fields to dump

src/ASPHERE/compute_erotate_asphere.h

@@ -27,8 +27,8 @@ namespace LAMMPS_NS {
 class ComputeERotateAsphere : public Compute {
  public:
   ComputeERotateAsphere(class LAMMPS *, int, char **);
-  void init();
-  double compute_scalar();
+  void init() override;
+  double compute_scalar() override;
 
  private:
   double pfactor;

src/ASPHERE/compute_temp_asphere.h

@@ -27,16 +27,16 @@ namespace LAMMPS_NS {
 class ComputeTempAsphere : public Compute {
  public:
   ComputeTempAsphere(class LAMMPS *, int, char **);
-  ~ComputeTempAsphere();
-  void init();
-  void setup();
-  double compute_scalar();
-  void compute_vector();
+  ~ComputeTempAsphere() override;
+  void init() override;
+  void setup() override;
+  double compute_scalar() override;
+  void compute_vector() override;
 
-  void remove_bias(int, double *);
-  void restore_bias(int, double *);
-  void remove_bias_thr(int, double *, double *);
-  void restore_bias_thr(int, double *, double *);
+  void remove_bias(int, double *) override;
+  void restore_bias(int, double *) override;
+  void remove_bias_thr(int, double *, double *) override;
+  void restore_bias_thr(int, double *, double *) override;
 
  private:
   int mode;

src/ASPHERE/fix_nh_asphere.h

@@ -21,16 +21,15 @@ namespace LAMMPS_NS {
 class FixNHAsphere : public FixNH {
  public:
   FixNHAsphere(class LAMMPS *, int, char **);
-  virtual ~FixNHAsphere() {}
-  void init();
+  void init() override;
 
  protected:
   double dtq;
   class AtomVecEllipsoid *avec;
 
-  void nve_v();
-  void nve_x();
-  void nh_v_temp();
+  void nve_v() override;
+  void nve_x() override;
+  void nh_v_temp() override;
 };
 
 }    // namespace LAMMPS_NS

src/ASPHERE/fix_nph_asphere.h

@@ -27,7 +27,6 @@ namespace LAMMPS_NS {
 class FixNPHAsphere : public FixNHAsphere {
  public:
   FixNPHAsphere(class LAMMPS *, int, char **);
-  ~FixNPHAsphere() {}
 };
 
 }    // namespace LAMMPS_NS

src/ASPHERE/fix_npt_asphere.h

@@ -27,7 +27,6 @@ namespace LAMMPS_NS {
 class FixNPTAsphere : public FixNHAsphere {
  public:
   FixNPTAsphere(class LAMMPS *, int, char **);
-  ~FixNPTAsphere() {}
 };
 
 }    // namespace LAMMPS_NS

src/ASPHERE/fix_nve_asphere.h

@@ -27,9 +27,9 @@ namespace LAMMPS_NS {
 class FixNVEAsphere : public FixNVE {
  public:
   FixNVEAsphere(class LAMMPS *, int, char **);
-  void init();
-  void initial_integrate(int);
-  void final_integrate();
+  void init() override;
+  void initial_integrate(int) override;
+  void final_integrate() override;
 
  private:
   double dtq;

src/ASPHERE/fix_nve_asphere_noforce.h

@@ -27,8 +27,8 @@ namespace LAMMPS_NS {
 class FixNVEAsphereNoforce : public FixNVENoforce {
  public:
   FixNVEAsphereNoforce(class LAMMPS *, int, char **);
-  void initial_integrate(int);
-  void init();
+  void initial_integrate(int) override;
+  void init() override;
 
  private:
   double dtq;

src/ASPHERE/fix_nve_line.h

@@ -27,11 +27,10 @@ namespace LAMMPS_NS {
 class FixNVELine : public FixNVE {
  public:
   FixNVELine(class LAMMPS *, int, char **);
-  ~FixNVELine() {}
-  int setmask();
-  void init();
-  void initial_integrate(int);
-  void final_integrate();
+  int setmask() override;
+  void init() override;
+  void initial_integrate(int) override;
+  void final_integrate() override;
 
  private:
   double MINUSPI, TWOPI;

src/ASPHERE/fix_nve_tri.h

@@ -27,11 +27,10 @@ namespace LAMMPS_NS {
 class FixNVETri : public FixNVE {
  public:
   FixNVETri(class LAMMPS *, int, char **);
-  ~FixNVETri() {}
-  int setmask();
-  void init();
-  void initial_integrate(int);
-  void final_integrate();
+  int setmask() override;
+  void init() override;
+  void initial_integrate(int) override;
+  void final_integrate() override;
 
  private:
   double dtq;

src/ASPHERE/fix_nvt_asphere.h

@@ -27,7 +27,6 @@ namespace LAMMPS_NS {
 class FixNVTAsphere : public FixNHAsphere {
  public:
   FixNVTAsphere(class LAMMPS *, int, char **);
-  ~FixNVTAsphere() {}
 };
 
 }    // namespace LAMMPS_NS

src/ASPHERE/pair_gayberne.cpp

@@ -18,18 +18,18 @@
 
 #include "pair_gayberne.h"
 
-#include <cmath>
-#include "math_extra.h"
 #include "atom.h"
 #include "atom_vec_ellipsoid.h"
-#include "comm.h"
-#include "force.h"
-#include "neighbor.h"
-#include "neigh_list.h"
 #include "citeme.h"
-#include "memory.h"
+#include "comm.h"
 #include "error.h"
+#include "force.h"
+#include "math_extra.h"
+#include "memory.h"
+#include "neigh_list.h"
+#include "neighbor.h"
 
+#include <cmath>
 
 using namespace LAMMPS_NS;
 

src/ASPHERE/pair_gayberne.h

@@ -27,18 +27,18 @@ namespace LAMMPS_NS {
 class PairGayBerne : public Pair {
  public:
   PairGayBerne(LAMMPS *lmp);
-  virtual ~PairGayBerne();
-  virtual void compute(int, int);
-  virtual void settings(int, char **);
-  void coeff(int, char **);
-  virtual void init_style();
-  double init_one(int, int);
-  void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_restart_settings(FILE *);
-  void read_restart_settings(FILE *);
-  void write_data(FILE *);
-  void write_data_all(FILE *);
+  ~PairGayBerne() override;
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  void init_style() override;
+  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 write_data(FILE *) override;
+  void write_data_all(FILE *) override;
 
  protected:
   enum { SPHERE_SPHERE, SPHERE_ELLIPSE, ELLIPSE_SPHERE, ELLIPSE_ELLIPSE };

src/ASPHERE/pair_line_lj.h

@@ -27,12 +27,12 @@ namespace LAMMPS_NS {
 class PairLineLJ : public Pair {
  public:
   PairLineLJ(class LAMMPS *);
-  virtual ~PairLineLJ();
-  virtual void compute(int, int);
-  void settings(int, char **);
-  void coeff(int, char **);
-  virtual void init_style();
-  double init_one(int, int);
+  ~PairLineLJ() override;
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  void init_style() override;
+  double init_one(int, int) override;
 
  protected:
   double cut_global;

src/ASPHERE/pair_resquared.h

@@ -27,16 +27,16 @@ namespace LAMMPS_NS {
 class PairRESquared : public Pair {
  public:
   PairRESquared(LAMMPS *lmp);
-  virtual ~PairRESquared();
-  virtual void compute(int, int);
-  void settings(int, char **);
-  void coeff(int, char **);
-  virtual void init_style();
-  double init_one(int, int);
-  void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_restart_settings(FILE *);
-  void read_restart_settings(FILE *);
+  ~PairRESquared() override;
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  void init_style() override;
+  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;
 
  protected:
   enum { SPHERE_SPHERE, SPHERE_ELLIPSE, ELLIPSE_SPHERE, ELLIPSE_ELLIPSE };

src/ASPHERE/pair_tri_lj.h

@@ -27,12 +27,12 @@ namespace LAMMPS_NS {
 class PairTriLJ : public Pair {
  public:
   PairTriLJ(class LAMMPS *);
-  virtual ~PairTriLJ();
-  virtual void compute(int, int);
-  void settings(int, char **);
-  void coeff(int, char **);
-  virtual void init_style();
-  double init_one(int, int);
+  ~PairTriLJ() override;
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  void init_style() override;
+  double init_one(int, int) override;
 
  protected:
   double cut_global;

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_list(int id, NeighList *ptr);
-  void setup(int vflag);
-  void min_setup(int vflag);
+  void init() override;
+  void init_list(int id, NeighList *ptr) override;
+  void setup(int vflag) override;
+  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 pre_exchange();
-  void min_pre_exchange();
+  void setup_pre_exchange() override;
+  void pre_exchange() override;
+  void min_pre_exchange() override;
 
-  double memory_usage();
-  void grow_arrays(int);
-  void copy_arrays(int, int, int);
+  double memory_usage() override;
+  void grow_arrays(int) override;
+  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 setup_pre_neighbor();
+  void pre_neighbor() override;
+  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 post_force(int vflag);
+  void pre_force(int vflag) override;
+  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 *);
-  void unpack_restart(int, int);
-  int size_restart(int);
-  int maxsize_restart();
+  int pack_restart(int, double *) override;
+  void unpack_restart(int, int) override;
+  int size_restart(int) override;
+  int maxsize_restart() override;
   /** these two methods are for writing all other quantities */
-  void write_restart(FILE *);
-  void restart(char *);
+  void write_restart(FILE *) override;
+  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();
-  virtual double compute_vector(int n);
-  virtual double compute_array(int irow, int icol);
+  double compute_scalar() override;
+  double compute_vector(int n) override;
+  double compute_array(int irow, int icol) override;
   double dtv, dtf;
   ATC::ATC_Method *atc_;
 };

src/AWPMD/atom_vec_wavepacket.h

@@ -28,12 +28,12 @@ class AtomVecWavepacket : public AtomVec {
  public:
   AtomVecWavepacket(class LAMMPS *);
 
-  void grow_pointers();
-  void force_clear(int, size_t);
-  void create_atom_post(int);
-  void data_atom_post(int);
-  int property_atom(char *);
-  void pack_property_atom(int, double *, int, int);
+  void grow_pointers() override;
+  void force_clear(int, size_t) override;
+  void create_atom_post(int) override;
+  void data_atom_post(int) override;
+  int property_atom(char *) override;
+  void pack_property_atom(int, double *, int, int) override;
 
  private:
   int *spin;

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;

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;

src/BOCS/compute_pressure_bocs.h

@@ -38,11 +38,11 @@ const int NUM_CUBIC_SPLINE_COLUMNS = 5;     // cubic spline columns passed to co
 class ComputePressureBocs : public Compute {
  public:
   ComputePressureBocs(class LAMMPS *, int, char **);
-  virtual ~ComputePressureBocs();
-  virtual void init();
-  virtual double compute_scalar();
-  virtual void compute_vector();
-  void reset_extra_compute_fix(const char *);
+  ~ComputePressureBocs() override;
+  void init() override;
+  double compute_scalar() override;
+  void compute_vector() override;
+  void reset_extra_compute_fix(const char *) override;
 
   double compute_cg_scalar();
   double get_cg_p_corr(int, double *, int, double, double);

src/BOCS/fix_bocs.h

@@ -30,26 +30,26 @@ namespace LAMMPS_NS {
 class FixBocs : public Fix {
  public:
   FixBocs(class LAMMPS *, int, char **);    // MRD NJD
-  virtual ~FixBocs();                       // MRD NJD
-  int setmask();
-  virtual void init();
-  virtual void setup(int);
-  virtual void initial_integrate(int);
-  virtual void final_integrate();
-  void initial_integrate_respa(int, int, int);
-  void pre_force_respa(int, int, int);
-  void final_integrate_respa(int, int);
-  virtual void pre_exchange();
-  double compute_scalar();
-  virtual double compute_vector(int);
-  void write_restart(FILE *);
+  ~FixBocs() override;                       // MRD NJD
+  int setmask() override;
+  void init() override;
+  void setup(int) override;
+  void initial_integrate(int) override;
+  void final_integrate() override;
+  void initial_integrate_respa(int, int, int) override;
+  void pre_force_respa(int, int, int) override;
+  void final_integrate_respa(int, int) override;
+  void pre_exchange() override;
+  double compute_scalar() override;
+  double compute_vector(int) override;
+  void write_restart(FILE *) override;
   virtual int pack_restart_data(double *);    // pack restart data
-  virtual void restart(char *);
-  int modify_param(int, char **);
-  void reset_target(double);
-  void reset_dt();
-  virtual void *extract(const char *, int &);
-  double memory_usage();
+  void restart(char *) override;
+  int modify_param(int, char **) override;
+  void reset_target(double) override;
+  void reset_dt() override;
+  void *extract(const char *, int &) override;
+  double memory_usage() override;
 
  protected:
   int dimension, which;

src/BODY/body_nparticle.h

@@ -28,21 +28,21 @@ namespace LAMMPS_NS {
 class BodyNparticle : public Body {
  public:
   BodyNparticle(class LAMMPS *, int, char **);
-  ~BodyNparticle();
+  ~BodyNparticle() override;
   int nsub(struct AtomVecBody::Bonus *);
   double *coords(struct AtomVecBody::Bonus *);
 
-  int pack_border_body(struct AtomVecBody::Bonus *, double *);
-  int unpack_border_body(struct AtomVecBody::Bonus *, double *);
-  void data_body(int, int, int, int *, double *);
-  int pack_data_body(tagint, int, double *);
-  int write_data_body(FILE *, double *);
-  double radius_body(int, int, int *, double *);
+  int pack_border_body(struct AtomVecBody::Bonus *, double *) override;
+  int unpack_border_body(struct AtomVecBody::Bonus *, double *) override;
+  void data_body(int, int, int, int *, double *) override;
+  int pack_data_body(tagint, int, double *) override;
+  int write_data_body(FILE *, double *) override;
+  double radius_body(int, int, int *, double *) override;
 
-  int noutrow(int);
-  int noutcol();
-  void output(int, int, double *);
-  int image(int, double, double, int *&, double **&);
+  int noutrow(int) override;
+  int noutcol() override;
+  void output(int, int, double *) override;
+  int image(int, double, double, int *&, double **&) override;
 
  private:
   int *imflag;

src/BODY/body_rounded_polygon.h

@@ -28,7 +28,7 @@ namespace LAMMPS_NS {
 class BodyRoundedPolygon : public Body {
  public:
   BodyRoundedPolygon(class LAMMPS *, int, char **);
-  ~BodyRoundedPolygon();
+  ~BodyRoundedPolygon() override;
   int nsub(struct AtomVecBody::Bonus *);
   double *coords(struct AtomVecBody::Bonus *);
   int nedges(struct AtomVecBody::Bonus *);
@@ -36,17 +36,17 @@ class BodyRoundedPolygon : public Body {
   double enclosing_radius(struct AtomVecBody::Bonus *);
   double rounded_radius(struct AtomVecBody::Bonus *);
 
-  int pack_border_body(struct AtomVecBody::Bonus *, double *);
-  int unpack_border_body(struct AtomVecBody::Bonus *, double *);
-  void data_body(int, int, int, int *, double *);
-  int pack_data_body(tagint, int, double *);
-  int write_data_body(FILE *, double *);
-  double radius_body(int, int, int *, double *);
+  int pack_border_body(struct AtomVecBody::Bonus *, double *) override;
+  int unpack_border_body(struct AtomVecBody::Bonus *, double *) override;
+  void data_body(int, int, int, int *, double *) override;
+  int pack_data_body(tagint, int, double *) override;
+  int write_data_body(FILE *, double *) override;
+  double radius_body(int, int, int *, double *) override;
 
-  int noutrow(int);
-  int noutcol();
-  void output(int, int, double *);
-  int image(int, double, double, int *&, double **&);
+  int noutrow(int) override;
+  int noutcol() override;
+  void output(int, int, double *) override;
+  int image(int, double, double, int *&, double **&) override;
 
  private:
   int *imflag;

src/BODY/body_rounded_polyhedron.h

@@ -28,7 +28,7 @@ namespace LAMMPS_NS {
 class BodyRoundedPolyhedron : public Body {
  public:
   BodyRoundedPolyhedron(class LAMMPS *, int, char **);
-  ~BodyRoundedPolyhedron();
+  ~BodyRoundedPolyhedron() override;
   int nsub(struct AtomVecBody::Bonus *);
   double *coords(struct AtomVecBody::Bonus *);
   int nedges(struct AtomVecBody::Bonus *);
@@ -38,17 +38,17 @@ class BodyRoundedPolyhedron : public Body {
   double enclosing_radius(struct AtomVecBody::Bonus *);
   double rounded_radius(struct AtomVecBody::Bonus *);
 
-  int pack_border_body(struct AtomVecBody::Bonus *, double *);
-  int unpack_border_body(struct AtomVecBody::Bonus *, double *);
-  void data_body(int, int, int, int *, double *);
-  int pack_data_body(tagint, int, double *);
-  int write_data_body(FILE *, double *);
-  double radius_body(int, int, int *, double *);
+  int pack_border_body(struct AtomVecBody::Bonus *, double *) override;
+  int unpack_border_body(struct AtomVecBody::Bonus *, double *) override;
+  void data_body(int, int, int, int *, double *) override;
+  int pack_data_body(tagint, int, double *) override;
+  int write_data_body(FILE *, double *) override;
+  double radius_body(int, int, int *, double *) override;
 
-  int noutrow(int);
-  int noutcol();
-  void output(int, int, double *);
-  int image(int, double, double, int *&, double **&);
+  int noutrow(int) override;
+  int noutcol() override;
+  void output(int, int, double *) override;
+  int image(int, double, double, int *&, double **&) override;
 
  private:
   int *imflag;

src/BODY/compute_body_local.h

@@ -27,10 +27,10 @@ namespace LAMMPS_NS {
 class ComputeBodyLocal : public Compute {
  public:
   ComputeBodyLocal(class LAMMPS *, int, char **);
-  ~ComputeBodyLocal();
-  void init();
-  void compute_local();
-  double memory_usage();
+  ~ComputeBodyLocal() override;
+  void init() override;
+  void compute_local() override;
+  double memory_usage() override;
 
  private:
   int nvalues;

src/BODY/compute_temp_body.h

@@ -27,14 +27,14 @@ namespace LAMMPS_NS {
 class ComputeTempBody : public Compute {
  public:
   ComputeTempBody(class LAMMPS *, int, char **);
-  ~ComputeTempBody();
-  void init();
-  void setup();
-  double compute_scalar();
-  void compute_vector();
+  ~ComputeTempBody() override;
+  void init() override;
+  void setup() override;
+  double compute_scalar() override;
+  void compute_vector() override;
 
-  void remove_bias(int, double *);
-  void restore_bias(int, double *);
+  void remove_bias(int, double *) override;
+  void restore_bias(int, double *) override;
 
  private:
   int mode;

src/BODY/fix_nh_body.h

@@ -21,16 +21,15 @@ namespace LAMMPS_NS {
 class FixNHBody : public FixNH {
  public:
   FixNHBody(class LAMMPS *, int, char **);
-  virtual ~FixNHBody() {}
-  void init();
+  void init() override;
 
  protected:
   double dtq;
   class AtomVecBody *avec;
 
-  void nve_v();
-  void nve_x();
-  void nh_v_temp();
+  void nve_v() override;
+  void nve_x() override;
+  void nh_v_temp() override;
 };
 
 }    // namespace LAMMPS_NS

src/BODY/fix_nph_body.h

@@ -27,7 +27,6 @@ namespace LAMMPS_NS {
 class FixNPHBody : public FixNHBody {
  public:
   FixNPHBody(class LAMMPS *, int, char **);
-  ~FixNPHBody() {}
 };
 
 }    // namespace LAMMPS_NS

src/BODY/fix_npt_body.h

@@ -27,7 +27,6 @@ namespace LAMMPS_NS {
 class FixNPTBody : public FixNHBody {
  public:
   FixNPTBody(class LAMMPS *, int, char **);
-  ~FixNPTBody() {}
 };
 
 }    // namespace LAMMPS_NS

src/BODY/fix_nve_body.h

@@ -27,9 +27,9 @@ namespace LAMMPS_NS {
 class FixNVEBody : public FixNVE {
  public:
   FixNVEBody(class LAMMPS *, int, char **);
-  void init();
-  void initial_integrate(int);
-  void final_integrate();
+  void init() override;
+  void initial_integrate(int) override;
+  void final_integrate() override;
 
  private:
   double dtq;

src/BODY/fix_nvt_body.h

@@ -27,7 +27,6 @@ namespace LAMMPS_NS {
 class FixNVTBody : public FixNHBody {
  public:
   FixNVTBody(class LAMMPS *, int, char **);
-  ~FixNVTBody() {}
 };
 
 }    // namespace LAMMPS_NS

src/BODY/fix_wall_body_polygon.h

@@ -27,12 +27,12 @@ namespace LAMMPS_NS {
 class FixWallBodyPolygon : public Fix {
  public:
   FixWallBodyPolygon(class LAMMPS *, int, char **);
-  virtual ~FixWallBodyPolygon();
-  int setmask();
-  void init();
-  void setup(int);
-  virtual void post_force(int);
-  void reset_dt();
+  ~FixWallBodyPolygon() override;
+  int setmask() override;
+  void init() override;
+  void setup(int) override;
+  void post_force(int) override;
+  void reset_dt() override;
 
   struct Contact {
     int ibody, jbody;     // body (i.e. atom) indices (not tags)

src/BODY/fix_wall_body_polyhedron.h

@@ -27,12 +27,12 @@ namespace LAMMPS_NS {
 class FixWallBodyPolyhedron : public Fix {
  public:
   FixWallBodyPolyhedron(class LAMMPS *, int, char **);
-  virtual ~FixWallBodyPolyhedron();
-  int setmask();
-  void init();
-  void setup(int);
-  virtual void post_force(int);
-  void reset_dt();
+  ~FixWallBodyPolyhedron() override;
+  int setmask() override;
+  void init() override;
+  void setup(int) override;
+  void post_force(int) override;
+  void reset_dt() override;
 
   struct Contact {
     int ibody, jbody;     // body (i.e. atom) indices (not tags)

src/BODY/pair_body_nparticle.h

@@ -27,12 +27,12 @@ namespace LAMMPS_NS {
 class PairBodyNparticle : public Pair {
  public:
   PairBodyNparticle(class LAMMPS *);
-  ~PairBodyNparticle();
-  void compute(int, int);
-  void settings(int, char **);
-  void coeff(int, char **);
-  void init_style();
-  double init_one(int, int);
+  ~PairBodyNparticle() override;
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  void init_style() override;
+  double init_one(int, int) override;
 
  protected:
   double cut_global;

src/BODY/pair_body_rounded_polygon.h

@@ -27,12 +27,12 @@ namespace LAMMPS_NS {
 class PairBodyRoundedPolygon : public Pair {
  public:
   PairBodyRoundedPolygon(class LAMMPS *);
-  ~PairBodyRoundedPolygon();
-  void compute(int, int);
-  void settings(int, char **);
-  void coeff(int, char **);
-  void init_style();
-  double init_one(int, int);
+  ~PairBodyRoundedPolygon() override;
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  void init_style() override;
+  double init_one(int, int) override;
 
   struct Contact {
     int ibody, jbody;     // body (i.e. atom) indices (not tags)

src/BODY/pair_body_rounded_polyhedron.h

@@ -27,12 +27,12 @@ namespace LAMMPS_NS {
 class PairBodyRoundedPolyhedron : public Pair {
  public:
   PairBodyRoundedPolyhedron(class LAMMPS *);
-  ~PairBodyRoundedPolyhedron();
-  void compute(int, int);
-  void settings(int, char **);
-  void coeff(int, char **);
-  void init_style();
-  double init_one(int, int);
+  ~PairBodyRoundedPolyhedron() override;
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  void init_style() override;
+  double init_one(int, int) override;
 
   virtual void kernel_force(double R, int itype, int jtype, double &energy, double &fpair);
 

src/BROWNIAN/fix_brownian.h

@@ -27,9 +27,9 @@ namespace LAMMPS_NS {
 class FixBrownian : public FixBrownianBase {
  public:
   FixBrownian(class LAMMPS *, int, char **);
-  virtual ~FixBrownian(){};
-  void init();
-  void initial_integrate(int);
+
+  void init() override;
+  void initial_integrate(int) override;
 
  private:
   template <int Tp_UNIFORM, int Tp_GAUSS, int Tp_2D> void initial_integrate_templated();

src/BROWNIAN/fix_brownian_asphere.h

@@ -27,9 +27,9 @@ namespace LAMMPS_NS {
 class FixBrownianAsphere : public FixBrownianBase {
  public:
   FixBrownianAsphere(class LAMMPS *, int, char **);
-  virtual ~FixBrownianAsphere(){};
-  void initial_integrate(int);
-  void init();
+
+  void initial_integrate(int) override;
+  void init() override;
 
  protected:
   class AtomVecEllipsoid *avec;

src/BROWNIAN/fix_brownian_base.h

@@ -21,10 +21,10 @@ namespace LAMMPS_NS {
 class FixBrownianBase : public Fix {
  public:
   FixBrownianBase(class LAMMPS *, int, char **);
-  virtual ~FixBrownianBase();
-  void init();
-  int setmask();
-  void reset_dt();
+  ~FixBrownianBase() override;
+  void init() override;
+  int setmask() override;
+  void reset_dt() override;
 
  protected:
   int seed;                  // RNG seed

src/BROWNIAN/fix_brownian_sphere.h

@@ -27,9 +27,9 @@ namespace LAMMPS_NS {
 class FixBrownianSphere : public FixBrownianBase {
  public:
   FixBrownianSphere(class LAMMPS *, int, char **);
-  virtual ~FixBrownianSphere(){};
-  void init();
-  void initial_integrate(int);
+
+  void init() override;
+  void initial_integrate(int) override;
 
  private:
   template <int Tp_UNIFORM, int Tp_GAUSS, int Tp_2D> void initial_integrate_templated();

src/BROWNIAN/fix_propel_self.h

@@ -26,11 +26,11 @@ namespace LAMMPS_NS {
 class FixPropelSelf : public Fix {
  public:
   FixPropelSelf(class LAMMPS *, int, char **);
-  virtual ~FixPropelSelf(){};
-  void init();
-  void post_force(int);
-  void setup(int);
-  int setmask();
+
+  void init() override;
+  void post_force(int) override;
+  void setup(int) override;
+  int setmask() override;
 
  private:
   double magnitude;

src/CG-DNA/atom_vec_oxdna.h

@@ -27,11 +27,10 @@ namespace LAMMPS_NS {
 class AtomVecOxdna : public AtomVec {
  public:
   AtomVecOxdna(class LAMMPS *);
-  ~AtomVecOxdna() = default;
 
-  void grow_pointers();
-  void data_atom_post(int);
-  void data_bonds_post(int, int, tagint, tagint, tagint);
+  void grow_pointers() override;
+  void data_atom_post(int) override;
+  void data_bonds_post(int, int, tagint, tagint, tagint) override;
 
  private:
   tagint *id5p;

src/CG-DNA/bond_oxdna2_fene.h

@@ -27,8 +27,7 @@ namespace LAMMPS_NS {
 class BondOxdna2Fene : public BondOxdnaFene {
  public:
   BondOxdna2Fene(class LAMMPS *lmp) : BondOxdnaFene(lmp) {}
-  virtual ~BondOxdna2Fene() {}
-  virtual void compute_interaction_sites(double *, double *, double *, double *) const;
+  void compute_interaction_sites(double *, double *, double *, double *) const override;
 };
 
 }    // namespace LAMMPS_NS

src/CG-DNA/bond_oxdna_fene.h

@@ -27,16 +27,16 @@ namespace LAMMPS_NS {
 class BondOxdnaFene : public Bond {
  public:
   BondOxdnaFene(class LAMMPS *lmp) : Bond(lmp) {}
-  virtual ~BondOxdnaFene();
+  ~BondOxdnaFene() override;
   virtual void compute_interaction_sites(double *, double *, double *, double *) const;
-  virtual void compute(int, int);
-  void coeff(int, char **);
-  void init_style();
-  double equilibrium_distance(int);
-  void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_data(FILE *);
-  double single(int, double, int, int, double &);
+  void compute(int, int) override;
+  void coeff(int, char **) override;
+  void init_style() override;
+  double equilibrium_distance(int) override;
+  void write_restart(FILE *) override;
+  void read_restart(FILE *) override;
+  void write_data(FILE *) override;
+  double single(int, double, int, int, double &) override;
 
  protected:
   double *k, *Delta, *r0;    // FENE

src/CG-DNA/bond_oxrna2_fene.h

@@ -27,9 +27,8 @@ namespace LAMMPS_NS {
 class BondOxrna2Fene : public BondOxdnaFene {
  public:
   BondOxrna2Fene(class LAMMPS *lmp) : BondOxdnaFene(lmp) {}
-  virtual ~BondOxrna2Fene() {}
 
-  virtual void compute_interaction_sites(double *, double *, double *, double *) const;
+  void compute_interaction_sites(double *, double *, double *, double *) const override;
 };
 
 }    // namespace LAMMPS_NS

src/CG-DNA/fix_nve_dot.h

@@ -27,9 +27,9 @@ namespace LAMMPS_NS {
 class FixNVEDot : public FixNVE {
  public:
   FixNVEDot(class LAMMPS *, int, char **);
-  void init();
-  void initial_integrate(int);
-  void final_integrate();
+  void init() override;
+  void initial_integrate(int) override;
+  void final_integrate() override;
 
  private:
   double dt, dthlf, dthlfm;

src/CG-DNA/fix_nve_dotc_langevin.h

@@ -27,10 +27,10 @@ namespace LAMMPS_NS {
 class FixNVEDotcLangevin : public FixNVE {
  public:
   FixNVEDotcLangevin(class LAMMPS *, int, char **);
-  virtual ~FixNVEDotcLangevin();
-  void init();
-  void initial_integrate(int);
-  void final_integrate();
+  ~FixNVEDotcLangevin() override;
+  void init() override;
+  void initial_integrate(int) override;
+  void final_integrate() override;
 
  private:
   double dt, dthlf, dthlfm, dtqrt;

src/CG-DNA/pair_oxdna2_coaxstk.h

@@ -27,19 +27,19 @@ namespace LAMMPS_NS {
 class PairOxdna2Coaxstk : public Pair {
  public:
   PairOxdna2Coaxstk(class LAMMPS *);
-  virtual ~PairOxdna2Coaxstk();
-  virtual void compute(int, int);
-  void settings(int, char **);
-  void coeff(int, char **);
-  void init_list(int, class NeighList *);
-  double init_one(int, int);
-  void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_restart_settings(FILE *);
-  void read_restart_settings(FILE *);
-  void write_data(FILE *);
-  void write_data_all(FILE *);
-  void *extract(const char *, int &);
+  ~PairOxdna2Coaxstk() override;
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  void init_list(int, class NeighList *) override;
+  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 write_data(FILE *) override;
+  void write_data_all(FILE *) override;
+  void *extract(const char *, int &) override;
 
  protected:
   // coaxial stacking interaction

src/CG-DNA/pair_oxdna2_dh.h

@@ -27,20 +27,20 @@ namespace LAMMPS_NS {
 class PairOxdna2Dh : public Pair {
  public:
   PairOxdna2Dh(class LAMMPS *);
-  virtual ~PairOxdna2Dh();
+  ~PairOxdna2Dh() override;
   virtual void compute_interaction_sites(double *, double *, double *, double *);
-  virtual void compute(int, int);
-  void settings(int, char **);
-  void coeff(int, char **);
-  void init_list(int, class NeighList *);
-  double init_one(int, int);
-  void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_restart_settings(FILE *);
-  void read_restart_settings(FILE *);
-  void write_data(FILE *);
-  void write_data_all(FILE *);
-  void *extract(const char *, int &);
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  void init_list(int, class NeighList *) override;
+  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 write_data(FILE *) override;
+  void write_data_all(FILE *) override;
+  void *extract(const char *, int &) override;
 
  protected:
   double **qeff_dh_pf, **kappa_dh;

src/CG-DNA/pair_oxdna2_excv.h

@@ -27,8 +27,8 @@ namespace LAMMPS_NS {
 class PairOxdna2Excv : public PairOxdnaExcv {
  public:
   PairOxdna2Excv(class LAMMPS *lmp) : PairOxdnaExcv(lmp) {}
-  virtual ~PairOxdna2Excv() {}
-  virtual void compute_interaction_sites(double *, double *, double *, double *, double *);
+
+  void compute_interaction_sites(double *, double *, double *, double *, double *) override;
 };
 
 }    // namespace LAMMPS_NS

src/CG-DNA/pair_oxdna_coaxstk.h

@@ -28,19 +28,19 @@ namespace LAMMPS_NS {
 class PairOxdnaCoaxstk : public Pair {
  public:
   PairOxdnaCoaxstk(class LAMMPS *);
-  virtual ~PairOxdnaCoaxstk();
-  virtual void compute(int, int);
-  void settings(int, char **);
-  void coeff(int, char **);
-  void init_list(int, class NeighList *);
-  double init_one(int, int);
-  void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_restart_settings(FILE *);
-  void read_restart_settings(FILE *);
-  void write_data(FILE *);
-  void write_data_all(FILE *);
-  void *extract(const char *, int &);
+  ~PairOxdnaCoaxstk() override;
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  void init_list(int, class NeighList *) override;
+  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 write_data(FILE *) override;
+  void write_data_all(FILE *) override;
+  void *extract(const char *, int &) override;
 
  protected:
   // coaxial stacking interaction

src/CG-DNA/pair_oxdna_excv.h

@@ -27,20 +27,20 @@ namespace LAMMPS_NS {
 class PairOxdnaExcv : public Pair {
  public:
   PairOxdnaExcv(class LAMMPS *);
-  virtual ~PairOxdnaExcv();
+  ~PairOxdnaExcv() override;
   virtual void compute_interaction_sites(double *, double *, double *, double *, double *);
-  virtual void compute(int, int);
-  void settings(int, char **);
-  void coeff(int, char **);
-  void init_list(int, class NeighList *);
-  double init_one(int, int);
-  void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_restart_settings(FILE *);
-  void read_restart_settings(FILE *);
-  void write_data(FILE *);
-  void write_data_all(FILE *);
-  void *extract(const char *, int &);
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  void init_list(int, class NeighList *) override;
+  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 write_data(FILE *) override;
+  void write_data_all(FILE *) override;
+  void *extract(const char *, int &) override;
 
  protected:
   // s=sugar-phosphate backbone site, b=base site, st=stacking site

src/CG-DNA/pair_oxdna_hbond.h

@@ -28,19 +28,19 @@ namespace LAMMPS_NS {
 class PairOxdnaHbond : public Pair {
  public:
   PairOxdnaHbond(class LAMMPS *);
-  virtual ~PairOxdnaHbond();
-  virtual void compute(int, int);
-  void settings(int, char **);
-  void coeff(int, char **);
-  void init_list(int, class NeighList *);
-  double init_one(int, int);
-  void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_restart_settings(FILE *);
-  void read_restart_settings(FILE *);
-  void write_data(FILE *);
-  void write_data_all(FILE *);
-  void *extract(const char *, int &);
+  ~PairOxdnaHbond() override;
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  void init_list(int, class NeighList *) override;
+  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 write_data(FILE *) override;
+  void write_data_all(FILE *) override;
+  void *extract(const char *, int &) override;
 
  protected:
   // h-bonding interaction

src/CG-DNA/pair_oxdna_stk.h

@@ -28,20 +28,20 @@ namespace LAMMPS_NS {
 class PairOxdnaStk : public Pair {
  public:
   PairOxdnaStk(class LAMMPS *);
-  virtual ~PairOxdnaStk();
-  virtual void compute(int, int);
-  void settings(int, char **);
-  void coeff(int, char **);
-  void init_style();
-  void init_list(int, class NeighList *);
-  double init_one(int, int);
-  void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_restart_settings(FILE *);
-  void read_restart_settings(FILE *);
-  void write_data(FILE *);
-  void write_data_all(FILE *);
-  void *extract(const char *, int &);
+  ~PairOxdnaStk() override;
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  void init_style() override;
+  void init_list(int, class NeighList *) override;
+  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 write_data(FILE *) override;
+  void write_data_all(FILE *) override;
+  void *extract(const char *, int &) override;
 
  protected:
   // stacking interaction

src/CG-DNA/pair_oxdna_xstk.h

@@ -28,19 +28,19 @@ namespace LAMMPS_NS {
 class PairOxdnaXstk : public Pair {
  public:
   PairOxdnaXstk(class LAMMPS *);
-  virtual ~PairOxdnaXstk();
-  virtual void compute(int, int);
-  void settings(int, char **);
-  void coeff(int, char **);
-  void init_list(int, class NeighList *);
-  double init_one(int, int);
-  void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_restart_settings(FILE *);
-  void read_restart_settings(FILE *);
-  void write_data(FILE *);
-  void write_data_all(FILE *);
-  void *extract(const char *, int &);
+  ~PairOxdnaXstk() override;
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  void init_list(int, class NeighList *) override;
+  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 write_data(FILE *) override;
+  void write_data_all(FILE *) override;
+  void *extract(const char *, int &) override;
 
  protected:
   // cross-stacking interaction

src/CG-DNA/pair_oxrna2_dh.h

@@ -27,8 +27,8 @@ namespace LAMMPS_NS {
 class PairOxrna2Dh : public PairOxdna2Dh {
  public:
   PairOxrna2Dh(class LAMMPS *lmp) : PairOxdna2Dh(lmp) {}
-  virtual ~PairOxrna2Dh() {}
-  virtual void compute_interaction_sites(double *, double *, double *, double *);
+
+  void compute_interaction_sites(double *, double *, double *, double *) override;
 };
 
 }    // namespace LAMMPS_NS

src/CG-DNA/pair_oxrna2_excv.h

@@ -27,8 +27,8 @@ namespace LAMMPS_NS {
 class PairOxrna2Excv : public PairOxdnaExcv {
  public:
   PairOxrna2Excv(class LAMMPS *lmp) : PairOxdnaExcv(lmp) {}
-  virtual ~PairOxrna2Excv() {}
-  virtual void compute_interaction_sites(double *, double *, double *, double *, double *);
+
+  void compute_interaction_sites(double *, double *, double *, double *, double *) override;
 };
 
 }    // namespace LAMMPS_NS

src/CG-DNA/pair_oxrna2_hbond.h

@@ -27,7 +27,6 @@ namespace LAMMPS_NS {
 class PairOxrna2Hbond : public PairOxdnaHbond {
  public:
   PairOxrna2Hbond(class LAMMPS *);
-  virtual ~PairOxrna2Hbond() {}
 };
 
 }    // namespace LAMMPS_NS

src/CG-DNA/pair_oxrna2_stk.h

@@ -27,20 +27,20 @@ namespace LAMMPS_NS {
 class PairOxrna2Stk : public Pair {
  public:
   PairOxrna2Stk(class LAMMPS *);
-  virtual ~PairOxrna2Stk();
-  virtual void compute(int, int);
-  void settings(int, char **);
-  void coeff(int, char **);
-  void init_style();
-  void init_list(int, class NeighList *);
-  double init_one(int, int);
-  void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_restart_settings(FILE *);
-  void read_restart_settings(FILE *);
-  void write_data(FILE *);
-  void write_data_all(FILE *);
-  void *extract(const char *, int &);
+  ~PairOxrna2Stk() override;
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  void init_style() override;
+  void init_list(int, class NeighList *) override;
+  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 write_data(FILE *) override;
+  void write_data_all(FILE *) override;
+  void *extract(const char *, int &) override;
 
  protected:
   // stacking interaction

src/CG-DNA/pair_oxrna2_xstk.h

@@ -27,19 +27,19 @@ namespace LAMMPS_NS {
 class PairOxrna2Xstk : public Pair {
  public:
   PairOxrna2Xstk(class LAMMPS *);
-  virtual ~PairOxrna2Xstk();
-  virtual void compute(int, int);
-  void settings(int, char **);
-  void coeff(int, char **);
-  void init_list(int, class NeighList *);
-  double init_one(int, int);
-  void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_restart_settings(FILE *);
-  void read_restart_settings(FILE *);
-  void write_data(FILE *);
-  void write_data_all(FILE *);
-  void *extract(const char *, int &);
+  ~PairOxrna2Xstk() override;
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  void init_list(int, class NeighList *) override;
+  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 write_data(FILE *) override;
+  void write_data_all(FILE *) override;
+  void *extract(const char *, int &) override;
 
  protected:
   // cross-stacking interaction

src/CG-SDK/angle_sdk.h

@@ -27,15 +27,15 @@ namespace LAMMPS_NS {
 class AngleSDK : public Angle {
  public:
   AngleSDK(class LAMMPS *);
-  virtual ~AngleSDK();
-  virtual void compute(int, int);
-  void coeff(int, char **);
-  void init_style();
-  double equilibrium_angle(int);
-  void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_data(FILE *);
-  double single(int, int, int, int);
+  ~AngleSDK() override;
+  void compute(int, int) override;
+  void coeff(int, char **) override;
+  void init_style() override;
+  double equilibrium_angle(int) override;
+  void write_restart(FILE *) override;
+  void read_restart(FILE *) override;
+  void write_data(FILE *) override;
+  double single(int, int, int, int) override;
 
  protected:
   double *k, *theta0;

src/CG-SDK/pair_lj_sdk.h

@@ -31,20 +31,20 @@ namespace LAMMPS_NS {
 class PairLJSDK : public Pair {
  public:
   PairLJSDK(LAMMPS *);
-  virtual ~PairLJSDK();
-  virtual void compute(int, int);
-  virtual void settings(int, char **);
-  virtual void coeff(int, char **);
-  virtual double init_one(int, int);
-  void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_restart_settings(FILE *);
-  void read_restart_settings(FILE *);
-  void write_data(FILE *);
-  void write_data_all(FILE *);
-  double single(int, int, int, int, double, double, double, double &);
-  void *extract(const char *, int &);
-  virtual double memory_usage();
+  ~PairLJSDK() override;
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  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 write_data(FILE *) override;
+  void write_data_all(FILE *) override;
+  double single(int, int, int, int, double, double, double, double &) override;
+  void *extract(const char *, int &) override;
+  double memory_usage() override;
 
  protected:
   int **lj_type;    // type of lennard jones potential

src/CG-SDK/pair_lj_sdk_coul_long.h

@@ -31,21 +31,21 @@ namespace LAMMPS_NS {
 class PairLJSDKCoulLong : public Pair {
  public:
   PairLJSDKCoulLong(class LAMMPS *);
-  virtual ~PairLJSDKCoulLong();
-  virtual void compute(int, int);
-  virtual void settings(int, char **);
-  void coeff(int, char **);
-  void init_style();
-  double init_one(int, int);
-  void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_data(FILE *);
-  void write_data_all(FILE *);
-  virtual void write_restart_settings(FILE *);
-  virtual void read_restart_settings(FILE *);
-  virtual double single(int, int, int, int, double, double, double, double &);
-  virtual void *extract(const char *, int &);
-  virtual double memory_usage();
+  ~PairLJSDKCoulLong() override;
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  void init_style() override;
+  double init_one(int, int) override;
+  void write_restart(FILE *) override;
+  void read_restart(FILE *) override;
+  void write_data(FILE *) override;
+  void write_data_all(FILE *) override;
+  void write_restart_settings(FILE *) override;
+  void read_restart_settings(FILE *) override;
+  double single(int, int, int, int, double, double, double, double &) override;
+  void *extract(const char *, int &) override;
+  double memory_usage() override;
 
  protected:
   double **cut_lj, **cut_ljsq;

src/CG-SDK/pair_lj_sdk_coul_msm.h

@@ -31,10 +31,9 @@ namespace LAMMPS_NS {
 class PairLJSDKCoulMSM : public PairLJSDKCoulLong {
  public:
   PairLJSDKCoulMSM(class LAMMPS *);
-  virtual ~PairLJSDKCoulMSM(){};
-  virtual void compute(int, int);
-  virtual double single(int, int, int, int, double, double, double, double &);
-  virtual void *extract(const char *, int &);
+  void compute(int, int) override;
+  double single(int, int, int, int, double, double, double, double &) override;
+  void *extract(const char *, int &) override;
 
  private:
   template <int EVFLAG, int EFLAG, int NEWTON_PAIR> void eval_msm();

src/CLASS2/angle_class2.h

@@ -27,14 +27,14 @@ namespace LAMMPS_NS {
 class AngleClass2 : public Angle {
  public:
   AngleClass2(class LAMMPS *);
-  virtual ~AngleClass2();
-  virtual void compute(int, int);
-  virtual void coeff(int, char **);
-  double equilibrium_angle(int);
-  virtual void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_data(FILE *);
-  double single(int, int, int, int);
+  ~AngleClass2() override;
+  void compute(int, int) override;
+  void coeff(int, char **) override;
+  double equilibrium_angle(int) override;
+  void write_restart(FILE *) override;
+  void read_restart(FILE *) override;
+  void write_data(FILE *) override;
+  double single(int, int, int, int) override;
 
  protected:
   double *theta0, *k2, *k3, *k4;

src/CLASS2/bond_class2.h

@@ -27,15 +27,15 @@ namespace LAMMPS_NS {
 class BondClass2 : public Bond {
  public:
   BondClass2(class LAMMPS *);
-  virtual ~BondClass2();
-  virtual void compute(int, int);
-  virtual void coeff(int, char **);
-  double equilibrium_distance(int);
-  void write_restart(FILE *);
-  virtual void read_restart(FILE *);
-  void write_data(FILE *);
-  double single(int, double, int, int, double &);
-  virtual void *extract(const char *, int &);
+  ~BondClass2() override;
+  void compute(int, int) override;
+  void coeff(int, char **) override;
+  double equilibrium_distance(int) override;
+  void write_restart(FILE *) override;
+  void read_restart(FILE *) override;
+  void write_data(FILE *) override;
+  double single(int, double, int, int, double &) override;
+  void *extract(const char *, int &) override;
 
  protected:
   double *r0, *k2, *k3, *k4;

src/CLASS2/dihedral_class2.h

@@ -27,12 +27,12 @@ namespace LAMMPS_NS {
 class DihedralClass2 : public Dihedral {
  public:
   DihedralClass2(class LAMMPS *);
-  virtual ~DihedralClass2();
-  virtual void compute(int, int);
-  virtual void coeff(int, char **);
-  void write_restart(FILE *);
-  virtual void read_restart(FILE *);
-  void write_data(FILE *);
+  ~DihedralClass2() override;
+  void compute(int, int) override;
+  void coeff(int, char **) override;
+  void write_restart(FILE *) override;
+  void read_restart(FILE *) override;
+  void write_data(FILE *) override;
 
  protected:
   double *k1, *k2, *k3;

src/CLASS2/improper_class2.h

@@ -27,12 +27,12 @@ namespace LAMMPS_NS {
 class ImproperClass2 : public Improper {
  public:
   ImproperClass2(class LAMMPS *);
-  virtual ~ImproperClass2();
-  virtual void compute(int, int);
-  virtual void coeff(int, char **);
-  void write_restart(FILE *);
-  virtual void read_restart(FILE *);
-  void write_data(FILE *);
+  ~ImproperClass2() override;
+  void compute(int, int) override;
+  void coeff(int, char **) override;
+  void write_restart(FILE *) override;
+  void read_restart(FILE *) override;
+  void write_data(FILE *) override;
 
  protected:
   double *k0, *chi0;

src/CLASS2/pair_lj_class2.h

@@ -25,24 +25,24 @@ namespace LAMMPS_NS {
 class PairLJClass2 : public Pair {
  public:
   PairLJClass2(class LAMMPS *);
-  virtual ~PairLJClass2();
-  virtual void compute(int, int);
-  virtual void settings(int, char **);
-  void coeff(int, char **);
-  void init_style();
-  virtual double init_one(int, int);
-  void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_restart_settings(FILE *);
-  void read_restart_settings(FILE *);
-  void write_data(FILE *);
-  void write_data_all(FILE *);
-  double single(int, int, int, int, double, double, double, double &);
-  void *extract(const char *, int &);
+  ~PairLJClass2() override;
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  void init_style() override;
+  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 write_data(FILE *) override;
+  void write_data_all(FILE *) override;
+  double single(int, int, int, int, double, double, double, double &) override;
+  void *extract(const char *, int &) override;
 
-  void compute_inner();
-  void compute_middle();
-  void compute_outer(int, int);
+  void compute_inner() override;
+  void compute_middle() override;
+  void compute_outer(int, int) override;
 
  protected:
   double cut_global;

src/CLASS2/pair_lj_class2_coul_cut.h

@@ -27,20 +27,20 @@ namespace LAMMPS_NS {
 class PairLJClass2CoulCut : public Pair {
  public:
   PairLJClass2CoulCut(class LAMMPS *);
-  virtual ~PairLJClass2CoulCut();
-  virtual void compute(int, int);
-  virtual void settings(int, char **);
-  void coeff(int, char **);
-  virtual void init_style();
-  virtual double init_one(int, int);
-  void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_restart_settings(FILE *);
-  void read_restart_settings(FILE *);
-  void write_data(FILE *);
-  void write_data_all(FILE *);
-  double single(int, int, int, int, double, double, double, double &);
-  void *extract(const char *, int &);
+  ~PairLJClass2CoulCut() override;
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  void init_style() override;
+  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 write_data(FILE *) override;
+  void write_data_all(FILE *) override;
+  double single(int, int, int, int, double, double, double, double &) override;
+  void *extract(const char *, int &) override;
 
  protected:
   double cut_lj_global, cut_coul_global;

src/CLASS2/pair_lj_class2_coul_long.h

@@ -27,24 +27,24 @@ namespace LAMMPS_NS {
 class PairLJClass2CoulLong : public Pair {
  public:
   PairLJClass2CoulLong(class LAMMPS *);
-  virtual ~PairLJClass2CoulLong();
-  virtual void compute(int, int);
-  virtual void settings(int, char **);
-  void coeff(int, char **);
-  virtual void init_style();
-  virtual double init_one(int, int);
-  void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_restart_settings(FILE *);
-  void read_restart_settings(FILE *);
-  void write_data(FILE *);
-  void write_data_all(FILE *);
-  double single(int, int, int, int, double, double, double, double &);
+  ~PairLJClass2CoulLong() override;
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  void init_style() override;
+  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 write_data(FILE *) override;
+  void write_data_all(FILE *) override;
+  double single(int, int, int, int, double, double, double, double &) override;
 
-  void compute_inner();
-  void compute_middle();
-  void compute_outer(int, int);
-  void *extract(const char *, int &);
+  void compute_inner() override;
+  void compute_middle() override;
+  void compute_outer(int, int) override;
+  void *extract(const char *, int &) override;
 
  protected:
   double cut_lj_global;

src/COLLOID/fix_wall_colloid.h

@@ -27,9 +27,9 @@ namespace LAMMPS_NS {
 class FixWallColloid : public FixWall {
  public:
   FixWallColloid(class LAMMPS *, int, char **);
-  void init();
-  void precompute(int);
-  void wall_particle(int, int, double);
+  void init() override;
+  void precompute(int) override;
+  void wall_particle(int, int, double) override;
 
  private:
   double coeff1[6], coeff2[6], coeff3[6], coeff4[6];

src/COLLOID/pair_brownian.h

@@ -27,16 +27,16 @@ namespace LAMMPS_NS {
 class PairBrownian : public Pair {
  public:
   PairBrownian(class LAMMPS *);
-  virtual ~PairBrownian();
-  virtual void compute(int, int);
-  void settings(int, char **);
-  void coeff(int, char **);
-  virtual double init_one(int, int);
-  virtual void init_style();
-  void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_restart_settings(FILE *);
-  void read_restart_settings(FILE *);
+  ~PairBrownian() override;
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  double init_one(int, int) override;
+  void init_style() override;
+  void write_restart(FILE *) override;
+  void read_restart(FILE *) override;
+  void write_restart_settings(FILE *) override;
+  void read_restart_settings(FILE *) override;
 
  protected:
   double cut_inner_global, cut_global;

src/COLLOID/pair_brownian_poly.h

@@ -27,10 +27,10 @@ namespace LAMMPS_NS {
 class PairBrownianPoly : public PairBrownian {
  public:
   PairBrownianPoly(class LAMMPS *);
-  ~PairBrownianPoly() {}
-  void compute(int, int);
-  double init_one(int, int);
-  void init_style();
+
+  void compute(int, int) override;
+  double init_one(int, int) override;
+  void init_style() override;
 };
 
 }    // namespace LAMMPS_NS

src/COLLOID/pair_colloid.h

@@ -27,18 +27,18 @@ namespace LAMMPS_NS {
 class PairColloid : public Pair {
  public:
   PairColloid(class LAMMPS *);
-  virtual ~PairColloid();
-  virtual void compute(int, int);
-  void settings(int, char **);
-  void coeff(int, char **);
-  double init_one(int, int);
-  void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_restart_settings(FILE *);
-  void read_restart_settings(FILE *);
-  void write_data(FILE *);
-  void write_data_all(FILE *);
-  double single(int, int, int, int, double, double, double, double &);
+  ~PairColloid() override;
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  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 write_data(FILE *) override;
+  void write_data_all(FILE *) override;
+  double single(int, int, int, int, double, double, double, double &) override;
 
  protected:
   enum { SMALL_SMALL, SMALL_LARGE, LARGE_LARGE };

src/COLLOID/pair_lubricate.h

@@ -27,21 +27,21 @@ namespace LAMMPS_NS {
 class PairLubricate : public Pair {
  public:
   PairLubricate(class LAMMPS *);
-  virtual ~PairLubricate();
-  virtual void compute(int, int);
-  void settings(int, char **);
-  void coeff(int, char **);
-  double init_one(int, int);
-  virtual void init_style();
-  void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_restart_settings(FILE *);
-  void read_restart_settings(FILE *);
+  ~PairLubricate() override;
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  double init_one(int, int) override;
+  void init_style() override;
+  void write_restart(FILE *) override;
+  void read_restart(FILE *) override;
+  void write_restart_settings(FILE *) override;
+  void read_restart_settings(FILE *) override;
   int pre_adapt(char *, int, int, int, int);
   void adapt(int, int, int, int, int, double);
 
-  int pack_forward_comm(int, int *, double *, int, int *);
-  void unpack_forward_comm(int, int, double *);
+  int pack_forward_comm(int, int *, double *, int, int *) override;
+  void unpack_forward_comm(int, int, double *) override;
 
  protected:
   double mu, cut_inner_global, cut_global;

src/COLLOID/pair_lubricateU.h

@@ -27,18 +27,18 @@ namespace LAMMPS_NS {
 class PairLubricateU : public Pair {
  public:
   PairLubricateU(class LAMMPS *);
-  virtual ~PairLubricateU();
-  virtual void compute(int, int);
-  virtual void settings(int, char **);
-  void coeff(int, char **);
-  double init_one(int, int);
-  virtual void init_style();
-  void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_restart_settings(FILE *);
-  void read_restart_settings(FILE *);
-  int pack_forward_comm(int, int *, double *, int, int *);
-  void unpack_forward_comm(int, int, double *);
+  ~PairLubricateU() override;
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void coeff(int, char **) override;
+  double init_one(int, int) override;
+  void init_style() override;
+  void write_restart(FILE *) override;
+  void read_restart(FILE *) override;
+  void write_restart_settings(FILE *) override;
+  void read_restart_settings(FILE *) override;
+  int pack_forward_comm(int, int *, double *, int, int *) override;
+  void unpack_forward_comm(int, int, double *) override;
 
  protected:
   double cut_inner_global, cut_global;

src/COLLOID/pair_lubricateU_poly.h

@@ -27,10 +27,10 @@ namespace LAMMPS_NS {
 class PairLubricateUPoly : public PairLubricateU {
  public:
   PairLubricateUPoly(class LAMMPS *);
-  ~PairLubricateUPoly() {}
-  void compute(int, int);
-  void settings(int, char **);
-  void init_style();
+
+  void compute(int, int) override;
+  void settings(int, char **) override;
+  void init_style() override;
 
  private:
   double vol_P;
@@ -38,9 +38,9 @@ class PairLubricateUPoly : public PairLubricateU {
   class FixWall *wallfix;
 
   void iterate(double **, int);
-  void compute_RE(double **);
-  void compute_RU(double **);
-  void compute_Fh(double **);
+  void compute_RE(double **) override;
+  void compute_RU(double **) override;
+  void compute_Fh(double **) override;
 };
 
 }    // namespace LAMMPS_NS

src/COLLOID/pair_lubricate_poly.h

@@ -27,9 +27,9 @@ namespace LAMMPS_NS {
 class PairLubricatePoly : public PairLubricate {
  public:
   PairLubricatePoly(class LAMMPS *);
-  ~PairLubricatePoly() {}
-  void compute(int, int);
-  void init_style();
+
+  void compute(int, int) override;
+  void init_style() override;
 };
 
 }    // namespace LAMMPS_NS

src/COLLOID/pair_yukawa_colloid.h

@@ -27,11 +27,11 @@ namespace LAMMPS_NS {
 class PairYukawaColloid : public PairYukawa {
  public:
   PairYukawaColloid(class LAMMPS *);
-  virtual ~PairYukawaColloid() {}
-  virtual void compute(int, int);
-  void init_style();
-  double init_one(int, int);
-  double single(int, int, int, int, double, double, double, double &);
+
+  void compute(int, int) override;
+  void init_style() override;
+  double init_one(int, int) override;
+  double single(int, int, int, int, double, double, double, double &) override;
 };
 
 }    // namespace LAMMPS_NS

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<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

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

src/COLVARS/group_ndx.h

@@ -29,7 +29,7 @@ namespace LAMMPS_NS {
 class Group2Ndx : public Command {
  public:
   Group2Ndx(class LAMMPS *lmp) : Command(lmp){};
-  void command(int, char **);
+  void command(int, char **) override;
 
  private:
   void write_group(FILE *, int);

src/COLVARS/ndx_group.h

@@ -30,7 +30,7 @@ namespace LAMMPS_NS {
 class Ndx2Group : public Command {
  public:
   Ndx2Group(class LAMMPS *lmp) : Command(lmp){};
-  void command(int, char **);
+  void command(int, char **) override;
 
  private:
   void create(const std::string &, const std::vector<tagint> &);

src/COMPRESS/dump_atom_gz.h

@@ -28,17 +28,16 @@ namespace LAMMPS_NS {
 class DumpAtomGZ : public DumpAtom {
  public:
   DumpAtomGZ(class LAMMPS *, int, char **);
-  virtual ~DumpAtomGZ() = default;
 
  protected:
   GzFileWriter writer;
 
-  virtual void openfile();
-  virtual void write_header(bigint);
-  virtual void write_data(int, double *);
-  virtual void write();
+  void openfile() override;
+  void write_header(bigint) override;
+  void write_data(int, double *) override;
+  void write() override;
 
-  virtual int modify_param(int, char **);
+  int modify_param(int, char **) override;
 };
 
 }    // namespace LAMMPS_NS

src/COMPRESS/dump_atom_zstd.h

@@ -34,17 +34,16 @@ namespace LAMMPS_NS {
 class DumpAtomZstd : public DumpAtom {
  public:
   DumpAtomZstd(class LAMMPS *, int, char **);
-  virtual ~DumpAtomZstd() = default;
 
  protected:
   ZstdFileWriter writer;
 
-  virtual void openfile();
-  virtual void write_header(bigint);
-  virtual void write_data(int, double *);
-  virtual void write();
+  void openfile() override;
+  void write_header(bigint) override;
+  void write_data(int, double *) override;
+  void write() override;
 
-  virtual int modify_param(int, char **);
+  int modify_param(int, char **) override;
 };
 
 }    // namespace LAMMPS_NS

src/COMPRESS/dump_cfg_gz.h

@@ -28,17 +28,16 @@ namespace LAMMPS_NS {
 class DumpCFGGZ : public DumpCFG {
  public:
   DumpCFGGZ(class LAMMPS *, int, char **);
-  virtual ~DumpCFGGZ() = default;
 
  protected:
   GzFileWriter writer;
 
-  virtual void openfile();
-  virtual void write_header(bigint);
-  virtual void write_data(int, double *);
-  virtual void write();
+  void openfile() override;
+  void write_header(bigint) override;
+  void write_data(int, double *) override;
+  void write() override;
 
-  virtual int modify_param(int, char **);
+  int modify_param(int, char **) override;
 };
 
 }    // namespace LAMMPS_NS

src/COMPRESS/dump_cfg_zstd.h

@@ -33,17 +33,16 @@ namespace LAMMPS_NS {
 class DumpCFGZstd : public DumpCFG {
  public:
   DumpCFGZstd(class LAMMPS *, int, char **);
-  virtual ~DumpCFGZstd() = default;
 
  protected:
   ZstdFileWriter writer;
 
-  virtual void openfile();
-  virtual void write_header(bigint);
-  virtual void write_data(int, double *);
-  virtual void write();
+  void openfile() override;
+  void write_header(bigint) override;
+  void write_data(int, double *) override;
+  void write() override;
 
-  virtual int modify_param(int, char **);
+  int modify_param(int, char **) override;
 };
 
 }    // namespace LAMMPS_NS

src/COMPRESS/dump_custom_gz.h

@@ -28,17 +28,16 @@ namespace LAMMPS_NS {
 class DumpCustomGZ : public DumpCustom {
  public:
   DumpCustomGZ(class LAMMPS *, int, char **);
-  virtual ~DumpCustomGZ() = default;
 
  protected:
   GzFileWriter writer;
 
-  virtual void openfile();
-  virtual void write_header(bigint);
-  virtual void write_data(int, double *);
-  virtual void write();
+  void openfile() override;
+  void write_header(bigint) override;
+  void write_data(int, double *) override;
+  void write() override;
 
-  virtual int modify_param(int, char **);
+  int modify_param(int, char **) override;
 };
 
 }    // namespace LAMMPS_NS

src/COMPRESS/dump_custom_zstd.h

@@ -34,17 +34,16 @@ namespace LAMMPS_NS {
 class DumpCustomZstd : public DumpCustom {
  public:
   DumpCustomZstd(class LAMMPS *, int, char **);
-  virtual ~DumpCustomZstd() = default;
 
  protected:
   ZstdFileWriter writer;
 
-  virtual void openfile();
-  virtual void write_header(bigint);
-  virtual void write_data(int, double *);
-  virtual void write();
+  void openfile() override;
+  void write_header(bigint) override;
+  void write_data(int, double *) override;
+  void write() override;
 
-  virtual int modify_param(int, char **);
+  int modify_param(int, char **) override;
 };
 
 }    // namespace LAMMPS_NS

src/COMPRESS/dump_local_gz.h

@@ -28,17 +28,16 @@ namespace LAMMPS_NS {
 class DumpLocalGZ : public DumpLocal {
  public:
   DumpLocalGZ(class LAMMPS *, int, char **);
-  virtual ~DumpLocalGZ() = default;
 
  protected:
   GzFileWriter writer;
 
-  virtual void openfile();
-  virtual void write_header(bigint);
-  virtual void write_data(int, double *);
-  virtual void write();
+  void openfile() override;
+  void write_header(bigint) override;
+  void write_data(int, double *) override;
+  void write() override;
 
-  virtual int modify_param(int, char **);
+  int modify_param(int, char **) override;
 };
 
 }    // namespace LAMMPS_NS

src/COMPRESS/dump_local_zstd.h

@@ -34,17 +34,16 @@ namespace LAMMPS_NS {
 class DumpLocalZstd : public DumpLocal {
  public:
   DumpLocalZstd(class LAMMPS *, int, char **);
-  virtual ~DumpLocalZstd() = default;
 
  protected:
   ZstdFileWriter writer;
 
-  virtual void openfile();
-  virtual void write_header(bigint);
-  virtual void write_data(int, double *);
-  virtual void write();
+  void openfile() override;
+  void write_header(bigint) override;
+  void write_data(int, double *) override;
+  void write() override;
 
-  virtual int modify_param(int, char **);
+  int modify_param(int, char **) override;
 };
 
 }    // namespace LAMMPS_NS

src/COMPRESS/dump_xyz_gz.h

@@ -28,17 +28,16 @@ namespace LAMMPS_NS {
 class DumpXYZGZ : public DumpXYZ {
  public:
   DumpXYZGZ(class LAMMPS *, int, char **);
-  virtual ~DumpXYZGZ() = default;
 
  protected:
   GzFileWriter writer;
 
-  virtual void openfile();
-  virtual void write_header(bigint);
-  virtual void write_data(int, double *);
-  virtual void write();
+  void openfile() override;
+  void write_header(bigint) override;
+  void write_data(int, double *) override;
+  void write() override;
 
-  virtual int modify_param(int, char **);
+  int modify_param(int, char **) override;
 };
 
 }    // namespace LAMMPS_NS

src/COMPRESS/dump_xyz_zstd.h

@@ -34,17 +34,16 @@ namespace LAMMPS_NS {
 class DumpXYZZstd : public DumpXYZ {
  public:
   DumpXYZZstd(class LAMMPS *, int, char **);
-  virtual ~DumpXYZZstd() = default;
 
  protected:
   ZstdFileWriter writer;
 
-  virtual void openfile();
-  virtual void write_header(bigint);
-  virtual void write_data(int, double *);
-  virtual void write();
+  void openfile() override;
+  void write_header(bigint) override;
+  void write_data(int, double *) override;
+  void write() override;
 
-  virtual int modify_param(int, char **);
+  int modify_param(int, char **) override;
 };
 
 }    // namespace LAMMPS_NS

src/COMPRESS/gz_file_writer.h

@@ -31,12 +31,12 @@ class GzFileWriter : public FileWriter {
   gzFile gzFp;    // file pointer for the compressed output stream
  public:
   GzFileWriter();
-  virtual ~GzFileWriter();
-  virtual void open(const std::string &path, bool append = false) override;
-  virtual void close() override;
-  virtual void flush() override;
-  virtual size_t write(const void *buffer, size_t length) override;
-  virtual bool isopen() const override;
+  ~GzFileWriter() override;
+  void open(const std::string &path, bool append = false) override;
+  void close() override;
+  void flush() override;
+  size_t write(const void *buffer, size_t length) override;
+  bool isopen() const override;
 
   void setCompressionLevel(int level);
 };

src/COMPRESS/zstd_file_writer.h

@@ -42,12 +42,12 @@ class ZstdFileWriter : public FileWriter {
 
  public:
   ZstdFileWriter();
-  virtual ~ZstdFileWriter();
-  virtual void open(const std::string &path, bool append = false) override;
-  virtual void close() override;
-  virtual void flush() override;
-  virtual size_t write(const void *buffer, size_t length) override;
-  virtual bool isopen() const override;
+  ~ZstdFileWriter() override;
+  void open(const std::string &path, bool append = false) override;
+  void close() override;
+  void flush() override;
+  size_t write(const void *buffer, size_t length) override;
+  bool isopen() const override;
 
   void setCompressionLevel(int level);
   void setChecksum(bool enabled);

src/CORESHELL/compute_temp_cs.h

@@ -27,21 +27,21 @@ namespace LAMMPS_NS {
 class ComputeTempCS : public Compute {
  public:
   ComputeTempCS(class LAMMPS *, int, char **);
-  ~ComputeTempCS();
-  void init();
-  void setup();
-  double compute_scalar();
-  void compute_vector();
-  double memory_usage();
+  ~ComputeTempCS() override;
+  void init() override;
+  void setup() override;
+  double compute_scalar() override;
+  void compute_vector() override;
+  double memory_usage() override;
 
-  void remove_bias(int, double *);
-  void remove_bias_all();
-  void reapply_bias_all();
-  void restore_bias(int, double *);
-  void restore_bias_all();
+  void remove_bias(int, double *) override;
+  void remove_bias_all() override;
+  void reapply_bias_all() override;
+  void restore_bias(int, double *) override;
+  void restore_bias_all() override;
 
-  int pack_reverse_comm(int, int, double *);
-  void unpack_reverse_comm(int, int *, double *);
+  int pack_reverse_comm(int, int, double *) override;
+  void unpack_reverse_comm(int, int *, double *) override;
 
  private:
   int groupbit_c, groupbit_s;