Apply override to remaining classes

src/KOKKOS/modify_kokkos.h

@@ -22,52 +22,52 @@ namespace LAMMPS_NS {
 class ModifyKokkos : public Modify {
  public:
   ModifyKokkos(class LAMMPS *);
-  ~ModifyKokkos() {}
+
-  void setup(int);
+  void setup(int) override;
-  void setup_pre_exchange();
+  void setup_pre_exchange() override;
-  void setup_pre_neighbor();
+  void setup_pre_neighbor() override;
-  void setup_post_neighbor();
+  void setup_post_neighbor() override;
-  void setup_pre_force(int);
+  void setup_pre_force(int) override;
-  void setup_pre_reverse(int, int);
+  void setup_pre_reverse(int, int) override;
-  void initial_integrate(int);
+  void initial_integrate(int) override;
-  void post_integrate();
+  void post_integrate() override;
   void pre_decide();
-  void pre_exchange();
+  void pre_exchange() override;
-  void pre_neighbor();
+  void pre_neighbor() override;
-  void post_neighbor();
+  void post_neighbor() override;
-  void pre_force(int);
+  void pre_force(int) override;
-  void pre_reverse(int,int);
+  void pre_reverse(int,int) override;
-  void post_force(int);
+  void post_force(int) override;
-  void final_integrate();
+  void final_integrate() override;
-  void end_of_step();
+  void end_of_step() override;
-  double energy_couple();
+  double energy_couple() override;
-  double energy_global();
+  double energy_global() override;
-  void energy_atom(int, double *);
+  void energy_atom(int, double *) override;
-  void post_run();
+  void post_run() override;
 
-  void setup_pre_force_respa(int, int);
+  void setup_pre_force_respa(int, int) override;
-  void initial_integrate_respa(int, int, int);
+  void initial_integrate_respa(int, int, int) override;
-  void post_integrate_respa(int, int);
+  void post_integrate_respa(int, int) override;
-  void pre_force_respa(int, int, int);
+  void pre_force_respa(int, int, int) override;
-  void post_force_respa(int, int, int);
+  void post_force_respa(int, int, int) override;
-  void final_integrate_respa(int, int);
+  void final_integrate_respa(int, int) override;
 
-  void min_pre_exchange();
+  void min_pre_exchange() override;
-  void min_pre_neighbor();
+  void min_pre_neighbor() override;
-  void min_post_neighbor();
+  void min_post_neighbor() override;
-  void min_pre_force(int);
+  void min_pre_force(int) override;
-  void min_pre_reverse(int,int);
+  void min_pre_reverse(int,int) override;
-  void min_post_force(int);
+  void min_post_force(int) override;
 
-  double min_energy(double *);
+  double min_energy(double *) override;
-  void min_store();
+  void min_store() override;
-  void min_step(double, double *);
+  void min_step(double, double *) override;
-  void min_clearstore();
+  void min_clearstore() override;
-  void min_pushstore();
+  void min_pushstore() override;
-  void min_popstore();
+  void min_popstore() override;
-  double max_alpha(double *);
+  double max_alpha(double *) override;
-  int min_dof();
+  int min_dof() override;
-  int min_reset_ref();
+  int min_reset_ref() override;
 
  protected:
 

src/KOKKOS/rand_pool_wrap_kokkos.h

@@ -44,7 +44,7 @@ struct RandWrap {
 class RandPoolWrap : protected Pointers {
  public:
   RandPoolWrap(int, class LAMMPS *);
-  ~RandPoolWrap();
+  ~RandPoolWrap() override;
   void destroy();
   void init(RanMars*, int);
 

src/LATBOLTZ/fix_lb_fluid.h

@@ -36,18 +36,18 @@ class FixLbFluid : public Fix {
 
  public:
   FixLbFluid(class LAMMPS *, int, char **);
-  ~FixLbFluid();
+  ~FixLbFluid() override;
-  int setmask();
+  int setmask() override;
-  void init();
+  void init() override;
-  void initial_integrate(int);
+  void initial_integrate(int) override;
-  void setup(int);
+  void setup(int) override;
-  void post_force(int);
+  void post_force(int) override;
-  void end_of_step();
+  void end_of_step() override;
 
-  void grow_arrays(int);
+  void grow_arrays(int) override;
-  void copy_arrays(int, int, int);
+  void copy_arrays(int, int, int) override;
-  int pack_exchange(int, double *);
+  int pack_exchange(int, double *) override;
-  int unpack_exchange(int, double *);
+  int unpack_exchange(int, double *) override;
 
  private:
   double viscosity, densityinit_real, a_0_real, T;

src/LATBOLTZ/fix_lb_momentum.h

@@ -27,9 +27,9 @@ namespace LAMMPS_NS {
 class FixLbMomentum : public Fix {
  public:
   FixLbMomentum(class LAMMPS *, int, char **);
-  int setmask();
+  int setmask() override;
-  void init();
+  void init() override;
-  void end_of_step();
+  void end_of_step() override;
 
  private:
   int linear;

src/LATBOLTZ/fix_lb_pc.h

@@ -27,17 +27,17 @@ namespace LAMMPS_NS {
 class FixLbPC : public Fix {
  public:
   FixLbPC(class LAMMPS *, int, char **);
-  ~FixLbPC();
+  ~FixLbPC() override;
-  int setmask();
+  int setmask() override;
-  void init();
+  void init() override;
-  void initial_integrate(int);
+  void initial_integrate(int) override;
-  void final_integrate();
+  void final_integrate() override;
 
-  void grow_arrays(int);
+  void grow_arrays(int) override;
-  void copy_arrays(int, int, int);
+  void copy_arrays(int, int, int) override;
   //  void set_arrays(int);
-  int pack_exchange(int, double *);
+  int pack_exchange(int, double *) override;
-  int unpack_exchange(int, double *);
+  int unpack_exchange(int, double *) override;
 
  private:
   double dtv, dtf;

src/LATBOLTZ/fix_lb_rigid_pc_sphere.h

@@ -27,25 +27,25 @@ namespace LAMMPS_NS {
 class FixLbRigidPCSphere : public Fix {
  public:
   FixLbRigidPCSphere(class LAMMPS *, int, char **);
-  virtual ~FixLbRigidPCSphere();
+  ~FixLbRigidPCSphere() override;
-  virtual int setmask();
+  int setmask() override;
-  virtual void init();
+  void init() override;
-  virtual void setup(int);
+  void setup(int) override;
-  virtual void initial_integrate(int);
+  void initial_integrate(int) override;
-  virtual void final_integrate();
+  void final_integrate() override;
-  virtual double compute_scalar();
+  double compute_scalar() 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;
-  void set_arrays(int);
+  void set_arrays(int) override;
-  int pack_exchange(int, double *);
+  int pack_exchange(int, double *) override;
-  int unpack_exchange(int, double *);
+  int unpack_exchange(int, double *) override;
 
-  void pre_neighbor();
+  void pre_neighbor() override;
-  int dof(int);
+  int dof(int) override;
-  void reset_dt();
+  void reset_dt() override;
-  double compute_array(int, int);
+  double compute_array(int, int) override;
 
  private:
   double **up;

src/LATBOLTZ/fix_lb_viscous.h

@@ -27,14 +27,14 @@ namespace LAMMPS_NS {
 class FixLbViscous : public Fix {
  public:
   FixLbViscous(class LAMMPS *, int, char **);
-  virtual ~FixLbViscous() = default;
+
-  int setmask();
+  int setmask() override;
-  void init();
+  void init() override;
-  void setup(int);
+  void setup(int) override;
-  void min_setup(int);
+  void min_setup(int) override;
-  void post_force(int);
+  void post_force(int) override;
-  void post_force_respa(int, int, int);
+  void post_force_respa(int, int, int) override;
-  void min_post_force(int);
+  void min_post_force(int) override;
 
  protected:
   int nlevels_respa;

src/MACHDYN/compute_smd_tlsph_defgrad.h

@@ -38,10 +38,10 @@ namespace LAMMPS_NS {
 class ComputeSMDTLSPHDefgrad : public Compute {
  public:
   ComputeSMDTLSPHDefgrad(class LAMMPS *, int, char **);
-  ~ComputeSMDTLSPHDefgrad();
+  ~ComputeSMDTLSPHDefgrad() override;
-  void init();
+  void init() override;
-  void compute_peratom();
+  void compute_peratom() override;
-  double memory_usage();
+  double memory_usage() override;
 
  private:
   int nmax;

src/MACHDYN/compute_smd_tlsph_shape.h

@@ -38,10 +38,10 @@ namespace LAMMPS_NS {
 class ComputeSmdTlsphShape : public Compute {
  public:
   ComputeSmdTlsphShape(class LAMMPS *, int, char **);
-  ~ComputeSmdTlsphShape();
+  ~ComputeSmdTlsphShape() override;
-  void init();
+  void init() override;
-  void compute_peratom();
+  void compute_peratom() override;
-  double memory_usage();
+  double memory_usage() override;
 
  private:
   int nmax;

src/MACHDYN/compute_smd_tlsph_strain.h

@@ -38,10 +38,10 @@ namespace LAMMPS_NS {
 class ComputeSMDTLSPHstrain : public Compute {
  public:
   ComputeSMDTLSPHstrain(class LAMMPS *, int, char **);
-  ~ComputeSMDTLSPHstrain();
+  ~ComputeSMDTLSPHstrain() override;
-  void init();
+  void init() override;
-  void compute_peratom();
+  void compute_peratom() override;
-  double memory_usage();
+  double memory_usage() override;
 
  private:
   int nmax;

src/MACHDYN/compute_smd_tlsph_strain_rate.h

@@ -38,10 +38,10 @@ namespace LAMMPS_NS {
 class ComputeSMDTLSPHStrainRate : public Compute {
  public:
   ComputeSMDTLSPHStrainRate(class LAMMPS *, int, char **);
-  ~ComputeSMDTLSPHStrainRate();
+  ~ComputeSMDTLSPHStrainRate() override;
-  void init();
+  void init() override;
-  void compute_peratom();
+  void compute_peratom() override;
-  double memory_usage();
+  double memory_usage() override;
 
  private:
   int nmax;

src/MACHDYN/compute_smd_tlsph_stress.h

@@ -38,10 +38,10 @@ namespace LAMMPS_NS {
 class ComputeSMDTLSPHStress : public Compute {
  public:
   ComputeSMDTLSPHStress(class LAMMPS *, int, char **);
-  ~ComputeSMDTLSPHStress();
+  ~ComputeSMDTLSPHStress() override;
-  void init();
+  void init() override;
-  void compute_peratom();
+  void compute_peratom() override;
-  double memory_usage();
+  double memory_usage() override;
 
  private:
   int nmax;

src/MACHDYN/compute_smd_ulsph_strain_rate.h

@@ -38,10 +38,10 @@ namespace LAMMPS_NS {
 class ComputeSMDULSPHStrainRate : public Compute {
  public:
   ComputeSMDULSPHStrainRate(class LAMMPS *, int, char **);
-  ~ComputeSMDULSPHStrainRate();
+  ~ComputeSMDULSPHStrainRate() override;
-  void init();
+  void init() override;
-  void compute_peratom();
+  void compute_peratom() override;
-  double memory_usage();
+  double memory_usage() override;
 
  private:
   int nmax;

src/MACHDYN/compute_smd_ulsph_stress.h

@@ -38,10 +38,10 @@ namespace LAMMPS_NS {
 class ComputeSMDULSPHStress : public Compute {
  public:
   ComputeSMDULSPHStress(class LAMMPS *, int, char **);
-  ~ComputeSMDULSPHStress();
+  ~ComputeSMDULSPHStress() override;
-  void init();
+  void init() override;
-  void compute_peratom();
+  void compute_peratom() override;
-  double memory_usage();
+  double memory_usage() override;
 
  private:
   int nmax;

src/MACHDYN/pair_smd_tlsph.h

@@ -39,21 +39,21 @@ namespace LAMMPS_NS {
 class PairTlsph : public Pair {
  public:
   PairTlsph(class LAMMPS *);
-  virtual ~PairTlsph();
+  ~PairTlsph() 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;
-  void init_style();
+  void init_style() override;
-  void init_list(int, class NeighList *);
+  void init_list(int, class NeighList *) override;
-  void write_restart_settings(FILE *) {}
+  void write_restart_settings(FILE *) override {}
-  void read_restart_settings(FILE *) {}
+  void read_restart_settings(FILE *) override {}
-  virtual double memory_usage();
+  double memory_usage() override;
   void compute_shape_matrix();
   void material_model();
-  void *extract(const char *, int &);
+  void *extract(const char *, int &) override;
-  int pack_forward_comm(int, int *, double *, int, int *);
+  int pack_forward_comm(int, int *, double *, int, int *) override;
-  void unpack_forward_comm(int, int, double *);
+  void unpack_forward_comm(int, int, double *) override;
   void AssembleStress();
 
   void PreCompute();

src/MACHDYN/pair_smd_triangulated_surface.h

@@ -39,19 +39,19 @@ namespace LAMMPS_NS {
 class PairTriSurf : public Pair {
  public:
   PairTriSurf(class LAMMPS *);
-  virtual ~PairTriSurf();
+  ~PairTriSurf() 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;
-  void init_style();
+  void init_style() override;
-  void init_list(int, class NeighList *);
+  void init_list(int, class NeighList *) override;
-  virtual double memory_usage();
+  double memory_usage() override;
   void PointTriangleDistance(const Eigen::Vector3d P, const Eigen::Vector3d TRI1,
                              const Eigen::Vector3d TRI2, const Eigen::Vector3d TRI3,
                              Eigen::Vector3d &CP, double &dist);
   double clamp(const double a, const double min, const double max);
-  void *extract(const char *, int &);
+  void *extract(const char *, int &) override;
 
  protected:
   double **bulkmodulus;

src/MACHDYN/pair_smd_ulsph.h

@@ -39,18 +39,18 @@ namespace LAMMPS_NS {
 class PairULSPH : public Pair {
  public:
   PairULSPH(class LAMMPS *);
-  virtual ~PairULSPH();
+  ~PairULSPH() 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;
-  void init_style();
+  void init_style() override;
-  void init_list(int, class NeighList *);
+  void init_list(int, class NeighList *) override;
-  virtual double memory_usage();
+  double memory_usage() override;
-  int pack_forward_comm(int, int *, double *, int, int *);
+  int pack_forward_comm(int, int *, double *, int, int *) override;
-  void unpack_forward_comm(int, int, double *);
+  void unpack_forward_comm(int, int, double *) override;
   void AssembleStressTensor();
-  void *extract(const char *, int &);
+  void *extract(const char *, int &) override;
   void PreCompute();
   void PreCompute_DensitySummation();
   double effective_shear_modulus(const Eigen::Matrix3d d_dev, const Eigen::Matrix3d deltaStressDev,

src/MANIFOLD/manifold_cylinder.h

@@ -26,13 +26,12 @@ namespace user_manifold {
    public:
     enum { NPARAMS = 1 };    // Number of parameters.
     manifold_cylinder(LAMMPS *lmp, int, char **);
-    virtual ~manifold_cylinder() {}
+    double g(const double *x) override;
-    virtual double g(const double *x);
+    void n(const double *x, double *n) override;
-    virtual void n(const double *x, double *n);
     static const char *type() { return "cylinder"; }
-    virtual const char *id() { return type(); }
+    const char *id() override { return type(); }
     static int expected_argc() { return NPARAMS; }
-    virtual int nparams() { return NPARAMS; }
+    int nparams() override { return NPARAMS; }
   };
 }    // namespace user_manifold
 

src/MANIFOLD/manifold_cylinder_dent.h

@@ -24,13 +24,12 @@ namespace user_manifold {
    public:
     manifold_cylinder_dent(LAMMPS *lmp, int, char **);
     enum { NPARAMS = 3 };    // Number of parameters.
-    virtual ~manifold_cylinder_dent() {}
+    double g(const double *x) override;
-    virtual double g(const double *x);
+    void n(const double *x, double *n) override;
-    virtual void n(const double *x, double *n);
     static const char *type() { return "cylinder/dent"; }
-    virtual const char *id() { return type(); }
+    const char *id() override { return type(); }
     static int expected_argc() { return NPARAMS; }
-    virtual int nparams() { return NPARAMS; }
+    int nparams() override { return NPARAMS; }
   };
 }    // namespace user_manifold
 

src/MANIFOLD/manifold_dumbbell.h

@@ -25,15 +25,14 @@ namespace user_manifold {
    public:
     enum { NPARAMS = 4 };    // Number of parameters.
     manifold_dumbbell(LAMMPS *lmp, int, char **);
-    virtual ~manifold_dumbbell() {}
+    double g(const double *x) override;
-    virtual double g(const double *x);
+    void n(const double *x, double *nn) override;
-    virtual void n(const double *x, double *nn);
 
     static const char *type() { return "dumbbell"; }
-    virtual const char *id() { return type(); }
+    const char *id() override { return type(); }
 
     static int expected_argc() { return NPARAMS; }
-    virtual int nparams() { return NPARAMS; }
+    int nparams() override { return NPARAMS; }
   };
 }    // namespace user_manifold
 

src/MANIFOLD/manifold_ellipsoid.h

@@ -24,14 +24,13 @@ namespace user_manifold {
    public:
     enum { NPARAMS = 3 };
     manifold_ellipsoid(LAMMPS *lmp, int, char **);
-    virtual ~manifold_ellipsoid() {}
+    double g(const double *x) override;
-    virtual double g(const double *x);
+    void n(const double *x, double *n) override;
-    virtual void n(const double *x, double *n);
 
     static const char *type() { return "ellipsoid"; }
-    virtual const char *id() { return type(); }
+    const char *id() override { return type(); }
     static int expected_argc() { return NPARAMS; }
-    virtual int nparams() { return NPARAMS; }
+    int nparams() override { return NPARAMS; }
   };
 }    // namespace user_manifold
 

src/MANIFOLD/manifold_gaussian_bump.h

@@ -51,19 +51,19 @@ namespace user_manifold {
    public:
     enum { NPARAMS = 4 };
     manifold_gaussian_bump(class LAMMPS *, int, char **);
-    virtual ~manifold_gaussian_bump();
+    ~manifold_gaussian_bump() override;
 
-    virtual double g(const double *);
+    double g(const double *) override;
-    virtual void n(const double *, double *);
+    void n(const double *, double *) override;
 
     // Variant of g that computes n at the same time.
-    virtual double g_and_n(const double *x, double *nn);
+    double g_and_n(const double *x, double *nn) override;
 
     static const char *type() { return "gaussian_bump"; }
-    virtual const char *id() { return type(); }
+    const char *id() override { return type(); }
 
-    virtual int nparams() { return NPARAMS; }
+    int nparams() override { return NPARAMS; }
-    virtual void post_param_init();
+    void post_param_init() override;
 
    private:
     // Some private constants:

src/MANIFOLD/manifold_plane.h

@@ -25,13 +25,12 @@ namespace user_manifold {
    public:
     enum { NPARAMS = 6 };    // Number of parameters.
     manifold_plane(LAMMPS *lmp, int, char **);
-    virtual ~manifold_plane() {}
+    double g(const double *x) override;
-    virtual double g(const double *x);
+    void n(const double *x, double *n) override;
-    virtual void n(const double *x, double *n);
     static const char *type() { return "plane"; }
-    virtual const char *id() { return type(); }
+    const char *id() override { return type(); }
     static int expected_argc() { return NPARAMS; }
-    virtual int nparams() { return NPARAMS; }
+    int nparams() override { return NPARAMS; }
   };
 }    // namespace user_manifold
 

src/MANIFOLD/manifold_plane_wiggle.h

@@ -25,13 +25,12 @@ namespace user_manifold {
    public:
     enum { NPARAMS = 2 };    // Number of parameters.
     manifold_plane_wiggle(LAMMPS *lmp, int, char **);
-    virtual ~manifold_plane_wiggle() {}
+    double g(const double *x) override;
-    virtual double g(const double *x);
+    void n(const double *x, double *n) override;
-    virtual void n(const double *x, double *n);
     static const char *type() { return "plane/wiggle"; }
-    virtual const char *id() { return type(); }
+    const char *id() override { return type(); }
     static int expected_argc() { return NPARAMS; }
-    virtual int nparams() { return NPARAMS; }
+    int nparams() override { return NPARAMS; }
   };
 }    // namespace user_manifold
 

src/MANIFOLD/manifold_sphere.h

@@ -26,15 +26,14 @@ namespace user_manifold {
     enum { NPARAMS = 1 };
     manifold_sphere(LAMMPS *lmp, int, char **) : manifold(lmp) {}
 
-    virtual ~manifold_sphere() {}
+    double g(const double *x) override
-    virtual double g(const double *x)
     {
       double R = params[0];
       double r2 = x[0] * x[0] + x[1] * x[1] + x[2] * x[2];
       return r2 - R * R;
     }
 
-    virtual double g_and_n(const double *x, double *nn)
+    double g_and_n(const double *x, double *nn) override
     {
       double R = params[0];
       double r2 = x[0] * x[0] + x[1] * x[1] + x[2] * x[2];
@@ -45,7 +44,7 @@ namespace user_manifold {
       return r2 - R * R;
     }
 
-    virtual void n(const double *x, double *nn)
+    void n(const double *x, double *nn) override
     {
       nn[0] = 2 * x[0];
       nn[1] = 2 * x[1];
@@ -59,9 +58,9 @@ namespace user_manifold {
     }
 
     static const char *type() { return "sphere"; }
-    virtual const char *id() { return type(); }
+    const char *id() override { return type(); }
     static int expected_argc() { return NPARAMS; }
-    virtual int nparams() { return NPARAMS; }
+    int nparams() override { return NPARAMS; }
   };
 }    // namespace user_manifold
 

src/MANIFOLD/manifold_spine.h

@@ -25,16 +25,15 @@ namespace user_manifold {
    public:
     enum { NPARAMS = 5 };    // Number of parameters.
     manifold_spine(LAMMPS *lmp, int, char **);
-    virtual ~manifold_spine() {}
+    double g(const double *x) override;
-    virtual double g(const double *x);
+    void n(const double *x, double *nn) override;
-    virtual void n(const double *x, double *nn);
+    double g_and_n(const double *x, double *nn) override;
-    virtual double g_and_n(const double *x, double *nn);
 
     static const char *type() { return "spine"; }
-    virtual const char *id() { return type(); }
+    const char *id() override { return type(); }
 
     static int expected_argc() { return NPARAMS; }
-    virtual int nparams() { return NPARAMS; }
+    int nparams() override { return NPARAMS; }
 
    protected:
     int power;
@@ -45,7 +44,7 @@ namespace user_manifold {
     manifold_spine_two(LAMMPS *lmp, int, char **);
 
     static const char *type() { return "spine/two"; }
-    virtual const char *id() { return type(); }
+    const char *id() override { return type(); }
   };
 }    // namespace user_manifold
 

src/MANIFOLD/manifold_supersphere.h

@@ -26,11 +26,9 @@ namespace user_manifold {
     enum { NPARAMS = 2 };
     manifold_supersphere(LAMMPS *lmp, int, char **) : manifold(lmp) {}
 
-    virtual ~manifold_supersphere() {}
-
     double my_sign(double a) { return (a > 0) - (a < 0); }
 
-    virtual double g(const double *x)
+    double g(const double *x) override
     {
       double R = params[0];
       double q = params[1];
@@ -43,7 +41,7 @@ namespace user_manifold {
       return rr - pow(R, q);
     }
 
-    virtual void n(const double *x, double *nn)
+    void n(const double *x, double *nn) override
     {
       double q = params[1];
       double xx = fabs(x[0]);
@@ -56,9 +54,9 @@ namespace user_manifold {
     }
 
     static const char *type() { return "supersphere"; }
-    virtual const char *id() { return type(); }
+    const char *id() override { return type(); }
     static int expected_argc() { return NPARAMS; }
-    virtual int nparams() { return NPARAMS; }
+    int nparams() override { return NPARAMS; }
   };
 }    // namespace user_manifold
 

src/MANIFOLD/manifold_thylakoid.h

@@ -26,17 +26,17 @@ namespace user_manifold {
    public:
     enum { NPARAMS = 3 };
     manifold_thylakoid(LAMMPS *lmp, int, char **);
-    virtual ~manifold_thylakoid();
+    ~manifold_thylakoid() override;
 
-    virtual double g(const double *x);
+    double g(const double *x) override;
-    virtual void n(const double *x, double *n);
+    void n(const double *x, double *n) override;
 
     static const char *type() { return "thylakoid"; }
-    virtual const char *id() { return type(); }
+    const char *id() override { return type(); }
     static int expected_argc() { return NPARAMS; }
-    virtual int nparams() { return NPARAMS; }
+    int nparams() override { return NPARAMS; }
 
-    virtual void post_param_init();
+    void post_param_init() override;
    private:
     void init_domains();
 

src/MANIFOLD/manifold_torus.h

@@ -24,14 +24,13 @@ namespace user_manifold {
    public:
     enum { NPARAMS = 2 };
     manifold_torus(LAMMPS *, int, char **);
-    ~manifold_torus() {}
+    double g(const double *x) override;
-    virtual double g(const double *x);
+    void n(const double *x, double *n) override;
-    virtual void n(const double *x, double *n);
 
     static const char *type() { return "torus"; }
-    virtual const char *id() { return type(); }
+    const char *id() override { return type(); }
     static int expected_argc() { return NPARAMS; }
-    virtual int nparams() { return NPARAMS; }
+    int nparams() override { return NPARAMS; }
   };
 
 }    // namespace user_manifold

src/MDI/fix_mdi_engine.h

@@ -28,20 +28,20 @@ namespace LAMMPS_NS {
 class FixMDIEngine : public Fix {
  public:
   FixMDIEngine(class LAMMPS *, int, char **);
-  ~FixMDIEngine();
+  ~FixMDIEngine() override;
-  int setmask();
+  int setmask() override;
-  void init();
+  void init() override;
 
   int execute_command(const char *command, MDI_Comm driver_socket);
   char *engine_mode(const char *node);
 
   // receive and update forces
 
-  void min_setup(int);
+  void min_setup(int) override;
-  void post_integrate();
+  void post_integrate() override;
-  void post_force(int);
+  void post_force(int) override;
-  void min_pre_force(int);     //@COORDS
+  void min_pre_force(int) override;     //@COORDS
-  void min_post_force(int);    //@FORCES
+  void min_post_force(int) override;    //@FORCES
 
   double *add_force;          // stores forces added using +FORCE command
   double potential_energy;    // stores potential energy

src/MDI/mdi_engine.h

@@ -27,8 +27,8 @@ namespace LAMMPS_NS {
 class MDIEngine : public Command {
  public:
   MDIEngine(LAMMPS *lmp) : Command(lmp) {}
-  virtual ~MDIEngine() {}
+
-  void command(int, char **);
+  void command(int, char **) override;
 
  private:
   class FixMDIEngine *mdi_fix;

src/ML-HDNNP/pair_hdnnp.h

@@ -39,12 +39,12 @@ class PairHDNNP : public Pair {
 
  public:
   PairHDNNP(class LAMMPS *);
-  virtual ~PairHDNNP();
+  ~PairHDNNP() override;
-  virtual void compute(int, int);
+  void compute(int, int) override;
-  virtual void settings(int, char **);
+  void settings(int, char **) override;
-  virtual void coeff(int, char **);
+  void coeff(int, char **) override;
-  virtual void init_style();
+  void init_style() override;
-  virtual double init_one(int, int);
+  double init_one(int, int) override;
 
  protected:
   virtual void allocate();

src/ML-IAP/mliap_so3.h

@@ -11,7 +11,7 @@ class MLIAP_SO3 : protected Pointers {
   MLIAP_SO3(LAMMPS *, double vrcut, int vlmax, int vnmax, double valpha);
   MLIAP_SO3(LAMMPS *lmp) : Pointers(lmp){};
 
-  ~MLIAP_SO3();
+  ~MLIAP_SO3() override;
 
   void init();
 

src/ML-PACE/pair_pace.h

@@ -39,15 +39,15 @@ namespace LAMMPS_NS {
 class PairPACE : public Pair {
  public:
   PairPACE(class LAMMPS *);
-  virtual ~PairPACE();
+  ~PairPACE() 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;
-  virtual void init_style();
+  void init_style() override;
-  double init_one(int, int);
+  double init_one(int, int) override;
 
-  void *extract(const char *, int &);
+  void *extract(const char *, int &) override;
 
  protected:
   struct ACEImpl *aceimpl;

src/MOLFILE/reader_molfile.h

@@ -29,18 +29,18 @@ namespace LAMMPS_NS {
 class ReaderMolfile : public Reader {
  public:
   ReaderMolfile(class LAMMPS *);
-  virtual ~ReaderMolfile();
+  ~ReaderMolfile() 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 std::string &);
+  void open_file(const std::string &) override;
-  virtual void close_file();
+  void close_file() override;
 
  private:
   int *fieldindex;    // mapping of input fields to dump

src/MPIIO/dump_atom_mpiio.h

@@ -28,7 +28,7 @@ class DumpAtomMPIIO : public DumpAtom {
 
  public:
   DumpAtomMPIIO(class LAMMPS *, int, char **);
-  virtual ~DumpAtomMPIIO();
+  ~DumpAtomMPIIO() override;
 
  protected:
   bigint
@@ -40,12 +40,12 @@ class DumpAtomMPIIO : public DumpAtom {
   int performEstimate;    // switch for write_data and write_header methods to use for gathering data and detemining filesize for preallocation vs actually writing the data
   char *filecurrent;      // name of file for this round (with % and * replaced)
 
-  virtual void openfile();
+  void openfile() override;
-  virtual void write_header(bigint);
+  void write_header(bigint) override;
-  virtual void write();
+  void write() override;
-  virtual void write_data(int, double *);
+  void write_data(int, double *) override;
 
-  virtual void init_style();
+  void init_style() override;
   typedef void (DumpAtomMPIIO::*FnPtrHeader)(bigint);
   FnPtrHeader header_choice;    // ptr to write header functions
   void header_binary(bigint);
@@ -59,7 +59,7 @@ class DumpAtomMPIIO : public DumpAtom {
   int convert_noimage_omp(int, double *);    // multithreaded version of convert_noimage
 #endif
 
-  int convert_string(int, double *);
+  int convert_string(int, double *) override;
   typedef void (DumpAtomMPIIO::*FnPtrData)(int, double *);
   FnPtrData write_choice;    // ptr to write data functions
   void write_binary(int, double *);

src/MPIIO/dump_cfg_mpiio.h

@@ -27,7 +27,7 @@ namespace LAMMPS_NS {
 class DumpCFGMPIIO : public DumpCFG {
  public:
   DumpCFGMPIIO(class LAMMPS *, int, char **);
-  virtual ~DumpCFGMPIIO();
+  ~DumpCFGMPIIO() override;
 
  protected:
   bigint
@@ -43,11 +43,11 @@ class DumpCFGMPIIO : public DumpCFG {
   int convert_string_omp(int, double *);    // multithreaded version of convert_string
 #endif
 
-  virtual void openfile();
+  void openfile() override;
-  virtual void init_style();
+  void init_style() override;
-  virtual void write_header(bigint);
+  void write_header(bigint) override;
-  virtual void write();
+  void write() override;
-  virtual void write_data(int, double *);
+  void write_data(int, double *) override;
 
   typedef void (DumpCFGMPIIO::*FnPtrData)(int, double *);
   FnPtrData write_choice;    // ptr to write data functions

src/MPIIO/dump_custom_mpiio.h

@@ -27,7 +27,7 @@ namespace LAMMPS_NS {
 class DumpCustomMPIIO : public DumpCustom {
  public:
   DumpCustomMPIIO(class LAMMPS *, int, char **);
-  virtual ~DumpCustomMPIIO();
+  ~DumpCustomMPIIO() override;
 
  protected:
   bigint
@@ -43,12 +43,12 @@ class DumpCustomMPIIO : public DumpCustom {
   int convert_string_omp(int, double *);    // multithreaded version of convert_string
 #endif
 
-  virtual void openfile();
+  void openfile() override;
-  virtual void write_header(bigint);
+  void write_header(bigint) override;
-  virtual void write();
+  void write() override;
-  virtual void write_data(int, double *);
+  void write_data(int, double *) override;
 
-  virtual void init_style();
+  void init_style() override;
   typedef void (DumpCustomMPIIO::*FnPtrHeader)(bigint);
   FnPtrHeader header_choice;    // ptr to write header functions
   void header_binary(bigint);

src/MPIIO/dump_xyz_mpiio.h

@@ -27,7 +27,7 @@ namespace LAMMPS_NS {
 class DumpXYZMPIIO : public DumpXYZ {
  public:
   DumpXYZMPIIO(class LAMMPS *, int, char **);
-  virtual ~DumpXYZMPIIO();
+  ~DumpXYZMPIIO() override;
 
  protected:
   bigint
@@ -43,12 +43,12 @@ class DumpXYZMPIIO : public DumpXYZ {
   int convert_string_omp(int, double *);    // multithreaded version of convert_string
 #endif
 
-  virtual void openfile();
+  void openfile() override;
-  virtual void write_header(bigint);
+  void write_header(bigint) override;
-  virtual void write();
+  void write() override;
-  virtual void write_data(int, double *);
+  void write_data(int, double *) override;
 
-  virtual void init_style();
+  void init_style() override;
 
   typedef void (DumpXYZMPIIO::*FnPtrData)(int, double *);
   FnPtrData write_choice;    // ptr to write data functions

src/MPIIO/restart_mpiio.h

@@ -27,7 +27,7 @@ class RestartMPIIO : protected Pointers {
   int mpiio_exists;
 
   RestartMPIIO(class LAMMPS *);
-  ~RestartMPIIO() {}
+
   void openForRead(const char *);
   void openForWrite(const char *);
   void write(MPI_Offset, int, double *);

src/MSCG/fix_mscg.h

@@ -27,12 +27,12 @@ namespace LAMMPS_NS {
 class FixMSCG : public Fix {
  public:
   FixMSCG(class LAMMPS *, int, char **);
-  ~FixMSCG();
+  ~FixMSCG() override;
-  int setmask();
+  int setmask() override;
-  void post_constructor();
+  void post_constructor() override;
-  void init();
+  void init() override;
-  void end_of_step();
+  void end_of_step() override;
-  void post_run();
+  void post_run() override;
 
  private:
   int range_flag, name_flag, me, nprocs;

src/NETCDF/dump_netcdf.h

@@ -33,8 +33,8 @@ namespace LAMMPS_NS {
 class DumpNetCDF : public DumpCustom {
  public:
   DumpNetCDF(class LAMMPS *, int, char **);
-  virtual ~DumpNetCDF();
+  ~DumpNetCDF() override;
-  virtual void write();
+  void write() override;
 
  private:
   static constexpr int NC_FIELD_NAME_MAX = 100;
@@ -88,12 +88,12 @@ class DumpNetCDF : public DumpCustom {
   int cell_lengths_var;
   int cell_angles_var;
 
-  virtual void openfile();
+  void openfile() override;
   void closefile();
-  virtual void write_header(bigint);
+  void write_header(bigint) override;
-  virtual void write_data(int, double *);
+  void write_data(int, double *) override;
 
-  virtual int modify_param(int, char **);
+  int modify_param(int, char **) override;
 
   void ncerr(int, const char *, int);
 };

src/NETCDF/dump_netcdf_mpiio.h

@@ -33,8 +33,8 @@ namespace LAMMPS_NS {
 class DumpNetCDFMPIIO : public DumpCustom {
  public:
   DumpNetCDFMPIIO(class LAMMPS *, int, char **);
-  virtual ~DumpNetCDFMPIIO();
+  ~DumpNetCDFMPIIO() override;
-  virtual void write();
+  void write() override;
 
  private:
   static constexpr int NC_MPIIO_FIELD_NAME_MAX = 100;
@@ -85,13 +85,13 @@ class DumpNetCDFMPIIO : public DumpCustom {
   int cell_lengths_var;
   int cell_angles_var;
 
-  virtual void openfile();
+  void openfile() override;
   void closefile();
   void write_time_and_cell();
-  virtual void write_data(int, double *);
+  void write_data(int, double *) override;
   void write_prmtop();
 
-  virtual int modify_param(int, char **);
+  int modify_param(int, char **) override;
 
   void ncerr(int, const char *, int);
 };

src/PTM/ptm_voronoi_cell.h

@@ -273,7 +273,7 @@ class voronoicell_neighbor : public voronoicell_base {
                  * face that is clockwise from the jth edge. */
                 int **ne;
                 voronoicell_neighbor();
-                ~voronoicell_neighbor();
+                ~voronoicell_neighbor() override;
                 void operator=(voronoicell_neighbor &c);
                 /** Cuts the Voronoi cell by a particle whose center is at a
                  * separation of (x,y,z) from the cell center. The value of rsq
@@ -321,7 +321,7 @@ class voronoicell_neighbor : public voronoicell_base {
                 }
                 void init(double xmin,double xmax,double ymin,double ymax,double zmin,double zmax);
                 void check_facets();
-                virtual void neighbors(std::vector<int> &v);
+                void neighbors(std::vector<int> &v) override;
 
         private:
                 int *paux1;

src/QEQ/fix_qeq.cpp

@@ -47,7 +47,7 @@ namespace {
     std::string message;
   public:
     explicit qeq_parser_error(const std::string &mesg) { message = mesg; }
-    const char *what() const noexcept { return message.c_str(); }
+    const char *what() const noexcept override { return message.c_str(); }
   };
 }
 

src/QMMM/fix_qmmm.h

@@ -27,18 +27,18 @@ namespace LAMMPS_NS {
 class FixQMMM : public Fix {
  public:
   FixQMMM(class LAMMPS *, int, char **);
-  ~FixQMMM();
+  ~FixQMMM() override;
-  int setmask();
+  int setmask() override;
-  void init();
+  void init() override;
 
   // send up-to-date position information to QM and MM slave code
-  void post_integrate();
+  void post_integrate() override;
 
   // receive and update forces
-  void setup(int);
+  void setup(int) override;
-  void post_force(int);
+  void post_force(int) override;
 
-  double memory_usage();
+  double memory_usage() override;
 
  protected:
   void exchange_positions();    // communicate positions to QM and MM slave

src/REAXFF/reaxff_control.cpp

@@ -60,7 +60,7 @@ namespace ReaxFF {
     explicit control_parser_error(const std::string &format, const std::string &keyword) {
       message = fmt::format(format, keyword);
     }
-    const char *what() const noexcept { return message.c_str(); }
+    const char *what() const noexcept override { return message.c_str(); }
   };
 
   // NOTE: this function is run on MPI rank 0 only

src/REAXFF/reaxff_ffield.cpp

@@ -47,7 +47,7 @@ namespace ReaxFF {
     std::string message;
   public:
     explicit ffield_parser_error(const std::string &mesg) { message = mesg; }
-    const char *what() const noexcept { return message.c_str(); }
+    const char *what() const noexcept override { return message.c_str(); }
   };
 
   void Read_Force_Field(const char *filename, reax_interaction *reax,

src/SPIN/min_spin.h

@@ -27,12 +27,12 @@ namespace LAMMPS_NS {
 class MinSpin : public Min {
  public:
   MinSpin(class LAMMPS *);
-  ~MinSpin() {}
+
-  void init();
+  void init() override;
-  void setup_style();
+  void setup_style() override;
-  int modify_param(int, char **);
+  int modify_param(int, char **) override;
-  void reset_vectors();
+  void reset_vectors() override;
-  int iterate(int);
+  int iterate(int) override;
   double evaluate_dt();
   void advance_spins(double);
 

src/SPIN/min_spin_cg.h

@@ -27,12 +27,12 @@ namespace LAMMPS_NS {
 class MinSpinCG : public Min {
  public:
   MinSpinCG(class LAMMPS *);
-  virtual ~MinSpinCG();
+  ~MinSpinCG() override;
-  void init();
+  void init() override;
-  void setup_style();
+  void setup_style() override;
-  void reset_vectors();
+  void reset_vectors() override;
-  int modify_param(int, char **);
+  int modify_param(int, char **) override;
-  int iterate(int);
+  int iterate(int) override;
 
  private:
   int local_iter;            // for neb

src/SPIN/min_spin_lbfgs.h

@@ -27,12 +27,12 @@ namespace LAMMPS_NS {
 class MinSpinLBFGS : public Min {
  public:
   MinSpinLBFGS(class LAMMPS *);
-  virtual ~MinSpinLBFGS();
+  ~MinSpinLBFGS() override;
-  void init();
+  void init() override;
-  void setup_style();
+  void setup_style() override;
-  int modify_param(int, char **);
+  int modify_param(int, char **) override;
-  void reset_vectors();
+  void reset_vectors() override;
-  int iterate(int);
+  int iterate(int) override;
 
  private:
   int local_iter;            // for neb

src/VORONOI/compute_voronoi_atom.h

@@ -33,15 +33,15 @@ namespace LAMMPS_NS {
 class ComputeVoronoi : public Compute {
  public:
   ComputeVoronoi(class LAMMPS *, int, char **);
-  ~ComputeVoronoi();
+  ~ComputeVoronoi() override;
-  void init();
+  void init() override;
-  void compute_peratom();
+  void compute_peratom() override;
-  void compute_vector();
+  void compute_vector() override;
-  void compute_local();
+  void compute_local() override;
-  double memory_usage();
+  double memory_usage() override;
 
-  int pack_forward_comm(int, int *, double *, int, int *);
+  int pack_forward_comm(int, int *, double *, int, int *) override;
-  void unpack_forward_comm(int, int, double *);
+  void unpack_forward_comm(int, int, double *) override;
 
  private:
   voro::container *con_mono;