diff --git a/src/ASPHERE/fix_nh_asphere.h b/src/ASPHERE/fix_nh_asphere.h index cc4020ecf5..89e9d7d96e 100644 --- a/src/ASPHERE/fix_nh_asphere.h +++ b/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 diff --git a/src/ASPHERE/fix_nph_asphere.h b/src/ASPHERE/fix_nph_asphere.h index 5fed646f63..db1d085384 100644 --- a/src/ASPHERE/fix_nph_asphere.h +++ b/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 diff --git a/src/ASPHERE/fix_npt_asphere.h b/src/ASPHERE/fix_npt_asphere.h index 43410b78da..c0b54a3d82 100644 --- a/src/ASPHERE/fix_npt_asphere.h +++ b/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 diff --git a/src/ASPHERE/fix_nve_asphere.h b/src/ASPHERE/fix_nve_asphere.h index fa7547af4b..8adfbac010 100644 --- a/src/ASPHERE/fix_nve_asphere.h +++ b/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; diff --git a/src/ASPHERE/fix_nve_asphere_noforce.h b/src/ASPHERE/fix_nve_asphere_noforce.h index 90b84a79d6..0467d443c0 100644 --- a/src/ASPHERE/fix_nve_asphere_noforce.h +++ b/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; diff --git a/src/ASPHERE/fix_nve_line.h b/src/ASPHERE/fix_nve_line.h index c706072a18..d5076dea51 100644 --- a/src/ASPHERE/fix_nve_line.h +++ b/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; diff --git a/src/ASPHERE/fix_nve_tri.h b/src/ASPHERE/fix_nve_tri.h index 1fc11c5d7e..daba41b538 100644 --- a/src/ASPHERE/fix_nve_tri.h +++ b/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; diff --git a/src/ASPHERE/fix_nvt_asphere.h b/src/ASPHERE/fix_nvt_asphere.h index 24b070ba78..cd6c3f8d63 100644 --- a/src/ASPHERE/fix_nvt_asphere.h +++ b/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 diff --git a/src/BOCS/fix_bocs.h b/src/BOCS/fix_bocs.h index 69b32d4cd0..ee5c70e432 100644 --- a/src/BOCS/fix_bocs.h +++ b/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; diff --git a/src/BODY/fix_nh_body.h b/src/BODY/fix_nh_body.h index f5fb545e05..899a12c3d6 100644 --- a/src/BODY/fix_nh_body.h +++ b/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 diff --git a/src/BODY/fix_nph_body.h b/src/BODY/fix_nph_body.h index da59bd93e2..38247e93cb 100644 --- a/src/BODY/fix_nph_body.h +++ b/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 diff --git a/src/BODY/fix_npt_body.h b/src/BODY/fix_npt_body.h index e5d6b44da6..5fe0c45994 100644 --- a/src/BODY/fix_npt_body.h +++ b/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 diff --git a/src/BODY/fix_nve_body.h b/src/BODY/fix_nve_body.h index 504a86e0d0..c0ea6d8f7d 100644 --- a/src/BODY/fix_nve_body.h +++ b/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; diff --git a/src/BODY/fix_nvt_body.h b/src/BODY/fix_nvt_body.h index e5fef9d30d..19a75dfd2a 100644 --- a/src/BODY/fix_nvt_body.h +++ b/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 diff --git a/src/BODY/fix_wall_body_polygon.h b/src/BODY/fix_wall_body_polygon.h index 7da2655c9c..caf57b45bf 100644 --- a/src/BODY/fix_wall_body_polygon.h +++ b/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) diff --git a/src/BODY/fix_wall_body_polyhedron.h b/src/BODY/fix_wall_body_polyhedron.h index 54c290b255..c931f963d2 100644 --- a/src/BODY/fix_wall_body_polyhedron.h +++ b/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) diff --git a/src/BROWNIAN/fix_brownian.h b/src/BROWNIAN/fix_brownian.h index 5847c1e8dc..f9f4ab9cd1 100644 --- a/src/BROWNIAN/fix_brownian.h +++ b/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 void initial_integrate_templated(); diff --git a/src/BROWNIAN/fix_brownian_asphere.h b/src/BROWNIAN/fix_brownian_asphere.h index b40f797dd3..f20b80a5be 100644 --- a/src/BROWNIAN/fix_brownian_asphere.h +++ b/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; diff --git a/src/BROWNIAN/fix_brownian_base.h b/src/BROWNIAN/fix_brownian_base.h index c13fc71a84..f26fc301b0 100644 --- a/src/BROWNIAN/fix_brownian_base.h +++ b/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 diff --git a/src/BROWNIAN/fix_brownian_sphere.h b/src/BROWNIAN/fix_brownian_sphere.h index 73befb07f5..8f2e2de568 100644 --- a/src/BROWNIAN/fix_brownian_sphere.h +++ b/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 void initial_integrate_templated(); diff --git a/src/BROWNIAN/fix_propel_self.h b/src/BROWNIAN/fix_propel_self.h index 7932e8af99..0b8ee4f4b1 100644 --- a/src/BROWNIAN/fix_propel_self.h +++ b/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; diff --git a/src/CG-DNA/fix_nve_dot.h b/src/CG-DNA/fix_nve_dot.h index 1f02536f51..baebaece22 100644 --- a/src/CG-DNA/fix_nve_dot.h +++ b/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; diff --git a/src/CG-DNA/fix_nve_dotc_langevin.h b/src/CG-DNA/fix_nve_dotc_langevin.h index 018db64c13..9353ae75b9 100644 --- a/src/CG-DNA/fix_nve_dotc_langevin.h +++ b/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; diff --git a/src/COLLOID/fix_wall_colloid.h b/src/COLLOID/fix_wall_colloid.h index 4c287052c0..4ccec8afb4 100644 --- a/src/COLLOID/fix_wall_colloid.h +++ b/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]; diff --git a/src/DIELECTRIC/fix_polarize_bem_gmres.h b/src/DIELECTRIC/fix_polarize_bem_gmres.h index 7671ddf1c2..421fe8afb9 100644 --- a/src/DIELECTRIC/fix_polarize_bem_gmres.h +++ b/src/DIELECTRIC/fix_polarize_bem_gmres.h @@ -27,22 +27,22 @@ namespace LAMMPS_NS { class FixPolarizeBEMGMRES : public Fix { public: FixPolarizeBEMGMRES(class LAMMPS *, int, char **); - ~FixPolarizeBEMGMRES(); - virtual int setmask(); - virtual void init(); - virtual void setup(int); - virtual void pre_force(int); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); - virtual double compute_vector(int); + ~FixPolarizeBEMGMRES() override; + int setmask() override; + void init() override; + void setup(int) override; + void pre_force(int) override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + double compute_vector(int) override; - int modify_param(int, char **); - double memory_usage(); - void grow_arrays(int); - void copy_arrays(int, int, int); - void set_arrays(int); + int modify_param(int, char **) override; + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + void set_arrays(int) override; virtual void allocate(); virtual void deallocate(); diff --git a/src/DIELECTRIC/fix_polarize_bem_icc.h b/src/DIELECTRIC/fix_polarize_bem_icc.h index df04b52fdf..e7af6edd08 100644 --- a/src/DIELECTRIC/fix_polarize_bem_icc.h +++ b/src/DIELECTRIC/fix_polarize_bem_icc.h @@ -27,15 +27,15 @@ namespace LAMMPS_NS { class FixPolarizeBEMICC : public Fix { public: FixPolarizeBEMICC(class LAMMPS *, int, char **); - ~FixPolarizeBEMICC() = default; - virtual int setmask(); - virtual void init(); - virtual void setup(int); - virtual void pre_force(int); - virtual double compute_vector(int); - int modify_param(int, char **); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); + + int setmask() override; + void init() override; + void setup(int) override; + void pre_force(int) override; + double compute_vector(int) override; + int modify_param(int, char **) override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; virtual void compute_induced_charges(); void set_dielectric_params(double, double, double, double, int, double); diff --git a/src/DIELECTRIC/fix_polarize_functional.h b/src/DIELECTRIC/fix_polarize_functional.h index 7a4b8c00da..010e958542 100644 --- a/src/DIELECTRIC/fix_polarize_functional.h +++ b/src/DIELECTRIC/fix_polarize_functional.h @@ -27,25 +27,25 @@ namespace LAMMPS_NS { class FixPolarizeFunctional : public Fix { public: FixPolarizeFunctional(class LAMMPS *, int, char **); - ~FixPolarizeFunctional(); - int setmask(); - void init(); - void init_list(int, class NeighList *); - void setup(int); - void setup_pre_force(int vflag); - void pre_force(int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); + ~FixPolarizeFunctional() override; + int setmask() override; + void init() override; + void init_list(int, class NeighList *) override; + void setup(int) override; + void setup_pre_force(int vflag) override; + void pre_force(int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; - int modify_param(int, char **); - double memory_usage(); + int modify_param(int, char **) override; + double memory_usage() override; void allocate(); void deallocate(); - void grow_arrays(int); - void copy_arrays(int, int, int); - void set_arrays(int); + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + void set_arrays(int) override; protected: int nmax; diff --git a/src/DIFFRACTION/fix_saed_vtk.h b/src/DIFFRACTION/fix_saed_vtk.h index a5691ea986..24be1d939c 100644 --- a/src/DIFFRACTION/fix_saed_vtk.h +++ b/src/DIFFRACTION/fix_saed_vtk.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class FixSAEDVTK : public Fix { public: FixSAEDVTK(class LAMMPS *, int, char **); - ~FixSAEDVTK(); - int setmask(); - void init(); - void setup(int); - void end_of_step(); - double compute_vector(int); + ~FixSAEDVTK() override; + int setmask() override; + void init() override; + void setup(int) override; + void end_of_step() override; + double compute_vector(int) override; void reset_timestep(bigint); private: diff --git a/src/DPD-MESO/fix_edpd_source.h b/src/DPD-MESO/fix_edpd_source.h index 13eecc7c56..73c0e13c56 100644 --- a/src/DPD-MESO/fix_edpd_source.h +++ b/src/DPD-MESO/fix_edpd_source.h @@ -27,10 +27,9 @@ namespace LAMMPS_NS { class FixEDPDSource : public Fix { public: FixEDPDSource(class LAMMPS *, int, char **); - ~FixEDPDSource() = default; - int setmask(); - void init(); - void post_force(int); + int setmask() override; + void init() override; + void post_force(int) override; protected: int option; diff --git a/src/DPD-MESO/fix_mvv_dpd.h b/src/DPD-MESO/fix_mvv_dpd.h index c8d1626a42..e6cf370de6 100644 --- a/src/DPD-MESO/fix_mvv_dpd.h +++ b/src/DPD-MESO/fix_mvv_dpd.h @@ -27,12 +27,11 @@ namespace LAMMPS_NS { class FixMvvDPD : public Fix { public: FixMvvDPD(class LAMMPS *, int, char **); - virtual ~FixMvvDPD() {} - int setmask(); - virtual void init(); - virtual void initial_integrate(int); - virtual void final_integrate(); - virtual void reset_dt(); + int setmask() override; + void init() override; + void initial_integrate(int) override; + void final_integrate() override; + void reset_dt() override; protected: double dtv, dtf; diff --git a/src/DPD-MESO/fix_mvv_edpd.h b/src/DPD-MESO/fix_mvv_edpd.h index 06fc373ca5..00b52e02b8 100644 --- a/src/DPD-MESO/fix_mvv_edpd.h +++ b/src/DPD-MESO/fix_mvv_edpd.h @@ -27,12 +27,11 @@ namespace LAMMPS_NS { class FixMvvEDPD : public Fix { public: FixMvvEDPD(class LAMMPS *, int, char **); - virtual ~FixMvvEDPD() {} - int setmask(); - virtual void init(); - virtual void initial_integrate(int); - virtual void final_integrate(); - virtual void reset_dt(); + int setmask() override; + void init() override; + void initial_integrate(int) override; + void final_integrate() override; + void reset_dt() override; protected: double dtv, dtf; diff --git a/src/DPD-MESO/fix_mvv_tdpd.h b/src/DPD-MESO/fix_mvv_tdpd.h index e30b285f6f..4cdd66b01e 100644 --- a/src/DPD-MESO/fix_mvv_tdpd.h +++ b/src/DPD-MESO/fix_mvv_tdpd.h @@ -27,12 +27,11 @@ namespace LAMMPS_NS { class FixMvvTDPD : public Fix { public: FixMvvTDPD(class LAMMPS *, int, char **); - virtual ~FixMvvTDPD() {} - int setmask(); - virtual void init(); - virtual void initial_integrate(int); - virtual void final_integrate(); - virtual void reset_dt(); + int setmask() override; + void init() override; + void initial_integrate(int) override; + void final_integrate() override; + void reset_dt() override; protected: double dtv, dtf; diff --git a/src/DPD-MESO/fix_tdpd_source.h b/src/DPD-MESO/fix_tdpd_source.h index 8bd9778ed0..f20bed4f74 100644 --- a/src/DPD-MESO/fix_tdpd_source.h +++ b/src/DPD-MESO/fix_tdpd_source.h @@ -27,10 +27,9 @@ namespace LAMMPS_NS { class FixTDPDSource : public Fix { public: FixTDPDSource(class LAMMPS *, int, char **); - ~FixTDPDSource() = default; - int setmask(); - void init(); - void post_force(int); + int setmask() override; + void init() override; + void post_force(int) override; protected: int option; diff --git a/src/DPD-REACT/fix_dpd_energy.h b/src/DPD-REACT/fix_dpd_energy.h index 7a463f64a0..3787b770cd 100644 --- a/src/DPD-REACT/fix_dpd_energy.h +++ b/src/DPD-REACT/fix_dpd_energy.h @@ -27,10 +27,9 @@ namespace LAMMPS_NS { class FixDPDenergy : public Fix { public: FixDPDenergy(class LAMMPS *, int, char **); - virtual ~FixDPDenergy() {} - int setmask(); - virtual void initial_integrate(int); - virtual void final_integrate(); + int setmask() override; + void initial_integrate(int) override; + void final_integrate() override; protected: class PairDPDfdtEnergy *pairDPDE; diff --git a/src/DPD-REACT/fix_eos_cv.h b/src/DPD-REACT/fix_eos_cv.h index 129984b390..b6b663029b 100644 --- a/src/DPD-REACT/fix_eos_cv.h +++ b/src/DPD-REACT/fix_eos_cv.h @@ -27,11 +27,10 @@ namespace LAMMPS_NS { class FixEOScv : public Fix { public: FixEOScv(class LAMMPS *, int, char **); - virtual ~FixEOScv() {} - int setmask(); - virtual void init(); - virtual void post_integrate(); - virtual void end_of_step(); + int setmask() override; + void init() override; + void post_integrate() override; + void end_of_step() override; protected: double cvEOS; diff --git a/src/DPD-REACT/fix_eos_table.h b/src/DPD-REACT/fix_eos_table.h index 4aad90402a..8d6a8c03db 100644 --- a/src/DPD-REACT/fix_eos_table.h +++ b/src/DPD-REACT/fix_eos_table.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class FixEOStable : public Fix { public: FixEOStable(class LAMMPS *, int, char **); - virtual ~FixEOStable(); - int setmask(); - virtual void init(); - virtual void post_integrate(); - virtual void end_of_step(); + ~FixEOStable() override; + int setmask() override; + void init() override; + void post_integrate() override; + void end_of_step() override; void energy_lookup(double, double &); void temperature_lookup(double, double &); diff --git a/src/DPD-REACT/fix_eos_table_rx.h b/src/DPD-REACT/fix_eos_table_rx.h index a2c4d7860e..3724923276 100644 --- a/src/DPD-REACT/fix_eos_table_rx.h +++ b/src/DPD-REACT/fix_eos_table_rx.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class FixEOStableRX : public Fix { public: FixEOStableRX(class LAMMPS *, int, char **); - virtual ~FixEOStableRX(); - int setmask(); - void setup(int); - virtual void init(); - virtual void post_integrate(); - virtual void end_of_step(); + ~FixEOStableRX() override; + int setmask() override; + void setup(int) override; + void init() override; + void post_integrate() override; + void end_of_step() override; void energy_lookup(int, double, double &); void temperature_lookup(int, double, double &); @@ -69,10 +69,10 @@ class FixEOStableRX : public Fix { double *dHf, *energyCorr, *tempCorrCoeff, *moleculeCorrCoeff; - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; int *eosSpecies; int ncolumn; diff --git a/src/DPD-REACT/fix_rx.h b/src/DPD-REACT/fix_rx.h index bd3122e81d..d82eaa8419 100644 --- a/src/DPD-REACT/fix_rx.h +++ b/src/DPD-REACT/fix_rx.h @@ -30,19 +30,19 @@ enum { ODE_LAMMPS_RK4, ODE_LAMMPS_RKF45 }; class FixRX : public Fix { public: FixRX(class LAMMPS *, int, char **); - ~FixRX(); - int setmask(); - void post_constructor(); - virtual void init(); - void init_list(int, class NeighList *); - virtual void setup_pre_force(int); - virtual void pre_force(int); + ~FixRX() override; + int setmask() override; + void post_constructor() override; + void init() override; + void init_list(int, class NeighList *) override; + void setup_pre_force(int) override; + void pre_force(int) override; protected: - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; class NeighList *list; diff --git a/src/DPD-REACT/fix_shardlow.h b/src/DPD-REACT/fix_shardlow.h index c95b90d964..a5481aea92 100644 --- a/src/DPD-REACT/fix_shardlow.h +++ b/src/DPD-REACT/fix_shardlow.h @@ -30,14 +30,14 @@ class FixShardlow : public Fix { class NeighList *list; // The SSA specific neighbor list FixShardlow(class LAMMPS *, int, char **); - ~FixShardlow(); - int setmask(); - virtual void init(); - virtual void init_list(int, class NeighList *); - virtual void setup(int); - virtual void initial_integrate(int); + ~FixShardlow() override; + int setmask() override; + void init() override; + void init_list(int, class NeighList *) override; + void setup(int) override; + void initial_integrate(int) override; - double memory_usage(); + double memory_usage() override; #ifdef DEBUG_SSA_PAIR_CT int counters[2][3]; @@ -45,10 +45,10 @@ class FixShardlow : public Fix { #endif protected: - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; class PairDPDfdt *pairDPD; class PairDPDfdtEnergy *pairDPDE; diff --git a/src/DPD-SMOOTH/fix_meso_move.h b/src/DPD-SMOOTH/fix_meso_move.h index 5a649128e5..5b05741fe5 100644 --- a/src/DPD-SMOOTH/fix_meso_move.h +++ b/src/DPD-SMOOTH/fix_meso_move.h @@ -27,27 +27,27 @@ namespace LAMMPS_NS { class FixMesoMove : public Fix { public: FixMesoMove(class LAMMPS *, int, char **); - ~FixMesoMove(); - int setmask(); - void init(); - void setup_pre_force(int); - void initial_integrate(int); - void final_integrate(); + ~FixMesoMove() override; + int setmask() override; + void init() override; + void setup_pre_force(int) override; + void initial_integrate(int) override; + void final_integrate() override; - double memory_usage(); - void write_restart(FILE *); - void restart(char *); - void grow_arrays(int); - void copy_arrays(int, int, int); - void set_arrays(int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); - int pack_restart(int, double *); - void unpack_restart(int, int); - int maxsize_restart(); - int size_restart(int); + double memory_usage() override; + void write_restart(FILE *) override; + void restart(char *) override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + void set_arrays(int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + int pack_restart(int, double *) override; + void unpack_restart(int, int) override; + int maxsize_restart() override; + int size_restart(int) override; - void reset_dt(); + void reset_dt() override; private: char *xvarstr, *yvarstr, *zvarstr, *vxvarstr, *vyvarstr, *vzvarstr; diff --git a/src/DPD-SMOOTH/fix_rigid_meso.h b/src/DPD-SMOOTH/fix_rigid_meso.h index 02f6ca74da..3f44a81f03 100644 --- a/src/DPD-SMOOTH/fix_rigid_meso.h +++ b/src/DPD-SMOOTH/fix_rigid_meso.h @@ -27,13 +27,13 @@ namespace LAMMPS_NS { class FixRigidMeso : public FixRigid { public: FixRigidMeso(class LAMMPS *, int, char **); - ~FixRigidMeso(); - int setmask(); - void setup(int); - void initial_integrate(int); - void final_integrate(); - double compute_scalar() { return 0.0; } - double compute_array(int, int); + ~FixRigidMeso() override; + int setmask() override; + void setup(int) override; + void initial_integrate(int) override; + void final_integrate() override; + double compute_scalar() override { return 0.0; } + double compute_array(int, int) override; protected: void set_xv(); diff --git a/src/DRUDE/fix_drude.h b/src/DRUDE/fix_drude.h index b563de485d..fcec09a419 100644 --- a/src/DRUDE/fix_drude.h +++ b/src/DRUDE/fix_drude.h @@ -36,17 +36,17 @@ class FixDrude : public Fix { bool is_reduced; FixDrude(class LAMMPS *, int, char **); - virtual ~FixDrude(); - int setmask(); - void init(); + ~FixDrude() override; + int setmask() override; + void init() override; - void grow_arrays(int nmax); - void copy_arrays(int i, int j, int delflag); - void set_arrays(int i); - int pack_exchange(int i, double *buf); - int unpack_exchange(int nlocal, double *buf); - int pack_border(int n, int *list, double *buf); - int unpack_border(int n, int first, double *buf); + void grow_arrays(int nmax) override; + void copy_arrays(int i, int j, int delflag) override; + void set_arrays(int i) override; + int pack_exchange(int i, double *buf) override; + int unpack_exchange(int nlocal, double *buf) override; + int pack_border(int n, int *list, double *buf) override; + int unpack_border(int n, int first, double *buf) override; private: int rebuildflag; @@ -55,7 +55,7 @@ class FixDrude : public Fix { void build_drudeid(); static void ring_search_drudeid(int size, char *cbuf, void *ptr); static void ring_build_partner(int size, char *cbuf, void *ptr); - void rebuild_special(); + void rebuild_special() override; static void ring_remove_drude(int size, char *cbuf, void *ptr); static void ring_add_drude(int size, char *cbuf, void *ptr); static void ring_copy_drude(int size, char *cbuf, void *ptr); diff --git a/src/DRUDE/fix_drude_transform.h b/src/DRUDE/fix_drude_transform.h index 495ec8b175..cfe159c236 100644 --- a/src/DRUDE/fix_drude_transform.h +++ b/src/DRUDE/fix_drude_transform.h @@ -28,16 +28,16 @@ namespace LAMMPS_NS { template class FixDrudeTransform: public Fix { public: FixDrudeTransform(class LAMMPS *, int, char **); - ~FixDrudeTransform(); - int setmask(); - void init(); - void setup(int vflag); + ~FixDrudeTransform() override; + int setmask() override; + void init() override; + void setup(int vflag) override; void reduced_to_real(); void real_to_reduced(); - void initial_integrate(int vflag); - void final_integrate(); - int pack_forward_comm(int n, int *list, double *buf, int pbc_flag, int *pbc); - void unpack_forward_comm(int n, int first, double *buf); + void initial_integrate(int vflag) override; + void final_integrate() override; + int pack_forward_comm(int n, int *list, double *buf, int pbc_flag, int *pbc) override; + void unpack_forward_comm(int n, int first, double *buf) override; protected: double *mcoeff; diff --git a/src/DRUDE/fix_langevin_drude.h b/src/DRUDE/fix_langevin_drude.h index 939de2db48..38bc417929 100644 --- a/src/DRUDE/fix_langevin_drude.h +++ b/src/DRUDE/fix_langevin_drude.h @@ -27,16 +27,16 @@ namespace LAMMPS_NS { class FixLangevinDrude : public Fix { public: FixLangevinDrude(class LAMMPS *, int, char **); - virtual ~FixLangevinDrude(); - int setmask(); - void init(); - void setup(int vflag); - virtual void post_force(int vflag); - void reset_target(double); - virtual void *extract(const char *, int &); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); - int modify_param(int, char **); + ~FixLangevinDrude() override; + int setmask() override; + void init() override; + void setup(int vflag) override; + void post_force(int vflag) override; + void reset_target(double) override; + void *extract(const char *, int &) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; + int modify_param(int, char **) override; protected: double t_start_core, t_period_core, t_target_core; diff --git a/src/DRUDE/fix_tgnh_drude.h b/src/DRUDE/fix_tgnh_drude.h index 598a407ff4..c486c301f7 100644 --- a/src/DRUDE/fix_tgnh_drude.h +++ b/src/DRUDE/fix_tgnh_drude.h @@ -21,25 +21,25 @@ namespace LAMMPS_NS { class FixTGNHDrude : public Fix { public: FixTGNHDrude(class LAMMPS *, int, char **); - virtual ~FixTGNHDrude(); - int setmask(); - virtual void init(); - virtual void setup(int); - virtual void initial_integrate(int); - virtual void final_integrate(); - void pre_force_respa(int, int, int); - void initial_integrate_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 *); + ~FixTGNHDrude() override; + int setmask() override; + void init() override; + void setup(int) override; + void initial_integrate(int) override; + void final_integrate() override; + void pre_force_respa(int, int, int) override; + void initial_integrate_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(); - double memory_usage(); + void restart(char *) override; + int modify_param(int, char **) override; + void reset_target(double) override; + void reset_dt() override; + double memory_usage() override; protected: int dimension, which; diff --git a/src/DRUDE/fix_tgnpt_drude.h b/src/DRUDE/fix_tgnpt_drude.h index 1fe30705eb..c777cc1134 100644 --- a/src/DRUDE/fix_tgnpt_drude.h +++ b/src/DRUDE/fix_tgnpt_drude.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixTGNPTDrude : public FixTGNHDrude { public: FixTGNPTDrude(class LAMMPS *, int, char **); - ~FixTGNPTDrude() {} }; } // namespace LAMMPS_NS diff --git a/src/DRUDE/fix_tgnvt_drude.h b/src/DRUDE/fix_tgnvt_drude.h index 9c06df66a8..d192b2353c 100644 --- a/src/DRUDE/fix_tgnvt_drude.h +++ b/src/DRUDE/fix_tgnvt_drude.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixTGNVTDrude : public FixTGNHDrude { public: FixTGNVTDrude(class LAMMPS *, int, char **); - ~FixTGNVTDrude() {} }; } // namespace LAMMPS_NS diff --git a/src/EFF/fix_langevin_eff.h b/src/EFF/fix_langevin_eff.h index 3176fdf9c1..c7681fc4cf 100644 --- a/src/EFF/fix_langevin_eff.h +++ b/src/EFF/fix_langevin_eff.h @@ -27,10 +27,10 @@ namespace LAMMPS_NS { class FixLangevinEff : public FixLangevin { public: FixLangevinEff(class LAMMPS *, int, char **); - ~FixLangevinEff(); - void end_of_step(); - double compute_scalar(); - void post_force(int); + ~FixLangevinEff() override; + void end_of_step() override; + double compute_scalar() override; + void post_force(int) override; private: double *erforcelangevin; diff --git a/src/EFF/fix_nh_eff.h b/src/EFF/fix_nh_eff.h index 32a96efd96..9860f81ba2 100644 --- a/src/EFF/fix_nh_eff.h +++ b/src/EFF/fix_nh_eff.h @@ -21,12 +21,11 @@ namespace LAMMPS_NS { class FixNHEff : public FixNH { public: FixNHEff(class LAMMPS *, int, char **); - virtual ~FixNHEff() {} protected: - void nve_v(); - void nve_x(); - virtual void nh_v_temp(); + void nve_v() override; + void nve_x() override; + void nh_v_temp() override; }; } // namespace LAMMPS_NS diff --git a/src/EFF/fix_nph_eff.h b/src/EFF/fix_nph_eff.h index 7fdbe38d5a..45e8c02ea5 100644 --- a/src/EFF/fix_nph_eff.h +++ b/src/EFF/fix_nph_eff.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixNPHEff : public FixNHEff { public: FixNPHEff(class LAMMPS *, int, char **); - ~FixNPHEff() {} }; } // namespace LAMMPS_NS diff --git a/src/EFF/fix_npt_eff.h b/src/EFF/fix_npt_eff.h index 060b24b38a..107130685d 100644 --- a/src/EFF/fix_npt_eff.h +++ b/src/EFF/fix_npt_eff.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixNPTEff : public FixNHEff { public: FixNPTEff(class LAMMPS *, int, char **); - ~FixNPTEff() {} }; } // namespace LAMMPS_NS diff --git a/src/EFF/fix_nve_eff.h b/src/EFF/fix_nve_eff.h index cab149ee36..b4fea154af 100644 --- a/src/EFF/fix_nve_eff.h +++ b/src/EFF/fix_nve_eff.h @@ -27,13 +27,13 @@ namespace LAMMPS_NS { class FixNVEEff : public Fix { public: FixNVEEff(class LAMMPS *, int, char **); - int setmask(); - virtual void init(); - virtual void initial_integrate(int); - virtual void final_integrate(); - void initial_integrate_respa(int, int, int); - void final_integrate_respa(int, int); - void reset_dt(); + int setmask() override; + void init() override; + void initial_integrate(int) override; + void final_integrate() override; + void initial_integrate_respa(int, int, int) override; + void final_integrate_respa(int, int) override; + void reset_dt() override; protected: double dtv, dtf; diff --git a/src/EFF/fix_nvt_eff.h b/src/EFF/fix_nvt_eff.h index 96e4cab6eb..602ff97eee 100644 --- a/src/EFF/fix_nvt_eff.h +++ b/src/EFF/fix_nvt_eff.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixNVTEff : public FixNHEff { public: FixNVTEff(class LAMMPS *, int, char **); - ~FixNVTEff() {} }; } // namespace LAMMPS_NS diff --git a/src/EFF/fix_nvt_sllod_eff.h b/src/EFF/fix_nvt_sllod_eff.h index 8ac3357627..f014f9c956 100644 --- a/src/EFF/fix_nvt_sllod_eff.h +++ b/src/EFF/fix_nvt_sllod_eff.h @@ -27,13 +27,12 @@ namespace LAMMPS_NS { class FixNVTSllodEff : public FixNHEff { public: FixNVTSllodEff(class LAMMPS *, int, char **); - ~FixNVTSllodEff() {} - void init(); + void init() override; private: int nondeformbias; - void nh_v_temp(); + void nh_v_temp() override; }; } // namespace LAMMPS_NS diff --git a/src/EFF/fix_temp_rescale_eff.h b/src/EFF/fix_temp_rescale_eff.h index d4e29d1c8c..bbcc3396aa 100644 --- a/src/EFF/fix_temp_rescale_eff.h +++ b/src/EFF/fix_temp_rescale_eff.h @@ -27,13 +27,13 @@ namespace LAMMPS_NS { class FixTempRescaleEff : public Fix { public: FixTempRescaleEff(class LAMMPS *, int, char **); - virtual ~FixTempRescaleEff(); - int setmask(); - void init(); - virtual void end_of_step(); - int modify_param(int, char **); - void reset_target(double); - double compute_scalar(); + ~FixTempRescaleEff() override; + int setmask() override; + void init() override; + void end_of_step() override; + int modify_param(int, char **) override; + void reset_target(double) override; + double compute_scalar() override; protected: int which; diff --git a/src/EXTRA-FIX/fix_addtorque.h b/src/EXTRA-FIX/fix_addtorque.h index 74f6fa2495..827e47ab80 100644 --- a/src/EXTRA-FIX/fix_addtorque.h +++ b/src/EXTRA-FIX/fix_addtorque.h @@ -27,16 +27,16 @@ namespace LAMMPS_NS { class FixAddTorque : public Fix { public: FixAddTorque(class LAMMPS *, int, char **); - ~FixAddTorque(); - int setmask(); - void init(); - void setup(int); - void min_setup(int); - void post_force(int); - void post_force_respa(int, int, int); - void min_post_force(int); - double compute_scalar(); - double compute_vector(int); + ~FixAddTorque() override; + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void min_post_force(int) override; + double compute_scalar() override; + double compute_vector(int) override; private: double xvalue, yvalue, zvalue; diff --git a/src/EXTRA-FIX/fix_ave_correlate_long.h b/src/EXTRA-FIX/fix_ave_correlate_long.h index a31ae78217..6c0ca63a39 100644 --- a/src/EXTRA-FIX/fix_ave_correlate_long.h +++ b/src/EXTRA-FIX/fix_ave_correlate_long.h @@ -27,15 +27,15 @@ namespace LAMMPS_NS { class FixAveCorrelateLong : public Fix { public: FixAveCorrelateLong(class LAMMPS *, int, char **); - ~FixAveCorrelateLong(); - int setmask(); - void init(); - void setup(int); - void end_of_step(); + ~FixAveCorrelateLong() override; + int setmask() override; + void init() override; + void setup(int) override; + void end_of_step() override; - void write_restart(FILE *); - void restart(char *); - double memory_usage(); + void write_restart(FILE *) override; + void restart(char *) override; + double memory_usage() override; double *t; // Time steps for result arrays double **f; // Result arrays diff --git a/src/EXTRA-FIX/fix_controller.h b/src/EXTRA-FIX/fix_controller.h index b5678690bd..f8f7c826b3 100644 --- a/src/EXTRA-FIX/fix_controller.h +++ b/src/EXTRA-FIX/fix_controller.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class FixController : public Fix { public: FixController(class LAMMPS *, int, char **); - ~FixController(); - int setmask(); - void init(); - void end_of_step(); - void reset_dt(); - double compute_vector(int); + ~FixController() override; + int setmask() override; + void init() override; + void end_of_step() override; + void reset_dt() override; + double compute_vector(int) override; private: double kp, ki, kd, alpha, tau; diff --git a/src/EXTRA-FIX/fix_drag.h b/src/EXTRA-FIX/fix_drag.h index b5e978f590..9c2739cfe9 100644 --- a/src/EXTRA-FIX/fix_drag.h +++ b/src/EXTRA-FIX/fix_drag.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class FixDrag : public Fix { public: FixDrag(class LAMMPS *, int, char **); - int setmask(); - void init(); - void setup(int); - void post_force(int); - void post_force_respa(int, int, int); - double compute_vector(int); + int setmask() override; + void init() override; + void setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + double compute_vector(int) override; private: double xc, yc, zc; diff --git a/src/EXTRA-FIX/fix_electron_stopping.h b/src/EXTRA-FIX/fix_electron_stopping.h index f978164b67..015d444996 100644 --- a/src/EXTRA-FIX/fix_electron_stopping.h +++ b/src/EXTRA-FIX/fix_electron_stopping.h @@ -32,12 +32,12 @@ namespace LAMMPS_NS { class FixElectronStopping : public Fix { public: FixElectronStopping(class LAMMPS *, int, char **); - ~FixElectronStopping(); - int setmask(); - void init(); - void post_force(int); - void init_list(int, class NeighList *); - double compute_scalar(); + ~FixElectronStopping() override; + int setmask() override; + void init() override; + void post_force(int) override; + void init_list(int, class NeighList *) override; + double compute_scalar() override; private: void read_table(const char *); diff --git a/src/EXTRA-FIX/fix_electron_stopping_fit.h b/src/EXTRA-FIX/fix_electron_stopping_fit.h index 304ea79cfa..f6d5a279fd 100644 --- a/src/EXTRA-FIX/fix_electron_stopping_fit.h +++ b/src/EXTRA-FIX/fix_electron_stopping_fit.h @@ -32,13 +32,13 @@ namespace LAMMPS_NS { class FixElectronStoppingFit : public Fix { public: FixElectronStoppingFit(class LAMMPS *, int, char **); - ~FixElectronStoppingFit(); - int setmask(); - void init(); - void setup(int); - void post_force(int); - void post_force_respa(int, int, int); - double compute_scalar(); + ~FixElectronStoppingFit() override; + int setmask() override; + void init() override; + void setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + double compute_scalar() override; private: double *energy_coh_in, *v_min_sq, *v_max_sq, *drag_fac_in_1, *drag_fac_in_2, *drag_fac_1, diff --git a/src/EXTRA-FIX/fix_ffl.h b/src/EXTRA-FIX/fix_ffl.h index 26e076cb8b..bd29254106 100644 --- a/src/EXTRA-FIX/fix_ffl.h +++ b/src/EXTRA-FIX/fix_ffl.h @@ -27,22 +27,22 @@ namespace LAMMPS_NS { class FixFFL : public Fix { public: FixFFL(class LAMMPS *, int, char **); - virtual ~FixFFL(); - int setmask(); - void init(); - void setup(int); + ~FixFFL() override; + int setmask() override; + void init() override; + void setup(int) override; void ffl_integrate(); - void initial_integrate_respa(int vflag, int ilevel, int iloop); - void final_integrate_respa(int ilevel, int iloop); - void initial_integrate(int vflag); - void final_integrate(); - double compute_scalar(); - void reset_target(double); - virtual void reset_dt(); - double memory_usage(); - void grow_arrays(int); + void initial_integrate_respa(int vflag, int ilevel, int iloop) override; + void final_integrate_respa(int ilevel, int iloop) override; + void initial_integrate(int vflag) override; + void final_integrate() override; + double compute_scalar() override; + void reset_target(double) override; + void reset_dt() override; + double memory_usage() override; + void grow_arrays(int) override; - virtual void *extract(const char *, int &); + void *extract(const char *, int &) override; void init_ffl(); diff --git a/src/EXTRA-FIX/fix_filter_corotate.h b/src/EXTRA-FIX/fix_filter_corotate.h index d0af7bc2db..d7853aea88 100644 --- a/src/EXTRA-FIX/fix_filter_corotate.h +++ b/src/EXTRA-FIX/fix_filter_corotate.h @@ -32,31 +32,31 @@ namespace LAMMPS_NS { class FixFilterCorotate : public Fix { public: FixFilterCorotate(class LAMMPS *, int, char **); - ~FixFilterCorotate(); - void setup(int); - void setup_pre_neighbor(); - void pre_neighbor(); - void setup_pre_force_respa(int, int); + ~FixFilterCorotate() override; + void setup(int) override; + void setup_pre_neighbor() override; + void pre_neighbor() override; + void setup_pre_force_respa(int, int) override; // void setup_post_force_respa(int,int); - void pre_force_respa(int, int, int); - void post_force_respa(int, int, int); + void pre_force_respa(int, int, int) override; + void post_force_respa(int, int, int) override; - void init(); - int setmask(); + void init() override; + int setmask() override; - double compute_array(int, int); + double compute_array(int, int) override; - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - void grow_arrays(int); - double memory_usage(); + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + void grow_arrays(int) override; + double memory_usage() override; - void copy_arrays(int, int, int); - void set_arrays(int); - void update_arrays(int, int); + void copy_arrays(int, int, int) override; + void set_arrays(int) override; + void update_arrays(int, int) override; - int pack_exchange(int, double *); - int unpack_exchange(int, double *); + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; protected: int me, nprocs; diff --git a/src/EXTRA-FIX/fix_flow_gauss.h b/src/EXTRA-FIX/fix_flow_gauss.h index 9ca12b61cc..d8482a67b0 100644 --- a/src/EXTRA-FIX/fix_flow_gauss.h +++ b/src/EXTRA-FIX/fix_flow_gauss.h @@ -29,13 +29,13 @@ namespace LAMMPS_NS { class FixFlowGauss : public Fix { public: FixFlowGauss(class LAMMPS *, int, char **); - int setmask(); - void init(); - void setup(int); - void post_force(int); - void post_force_respa(int, int, int); - double compute_scalar(); - double compute_vector(int n); + int setmask() override; + void init() override; + void setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + double compute_scalar() override; + double compute_vector(int n) override; protected: int dimension; diff --git a/src/EXTRA-FIX/fix_gld.h b/src/EXTRA-FIX/fix_gld.h index 1424e5c5f4..538106939c 100644 --- a/src/EXTRA-FIX/fix_gld.h +++ b/src/EXTRA-FIX/fix_gld.h @@ -27,25 +27,25 @@ namespace LAMMPS_NS { class FixGLD : public Fix { public: FixGLD(class LAMMPS *, int, char **); - virtual ~FixGLD(); - int setmask(); - virtual void init(); - virtual void initial_integrate(int); - virtual void final_integrate(); - virtual void initial_integrate_respa(int, int, int); - virtual void final_integrate_respa(int, int); - void reset_target(double); - virtual void reset_dt(); + ~FixGLD() override; + 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_target(double) override; + void reset_dt() override; - double memory_usage(); - void grow_arrays(int); - void copy_arrays(int, int, int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); - int pack_restart(int, double *); - void unpack_restart(int, int); - int size_restart(int); - int maxsize_restart(); + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + int pack_restart(int, double *) override; + void unpack_restart(int, int) override; + int size_restart(int) override; + int maxsize_restart() override; void init_s_gld(); protected: diff --git a/src/EXTRA-FIX/fix_gle.h b/src/EXTRA-FIX/fix_gle.h index 17150ea2be..e29daf76e8 100644 --- a/src/EXTRA-FIX/fix_gle.h +++ b/src/EXTRA-FIX/fix_gle.h @@ -27,30 +27,30 @@ namespace LAMMPS_NS { class FixGLE : public Fix { public: FixGLE(class LAMMPS *, int, char **); - virtual ~FixGLE(); - int setmask(); - void init(); - void setup(int); + ~FixGLE() override; + int setmask() override; + void init() override; + void setup(int) override; void gle_integrate(); - void initial_integrate_respa(int vflag, int ilevel, int iloop); - void final_integrate_respa(int ilevel, int iloop); - void initial_integrate(int vflag); - void final_integrate(); - double compute_scalar(); - void reset_target(double); - virtual void reset_dt(); + void initial_integrate_respa(int vflag, int ilevel, int iloop) override; + void final_integrate_respa(int ilevel, int iloop) override; + void initial_integrate(int vflag) override; + void final_integrate() override; + double compute_scalar() override; + void reset_target(double) override; + void reset_dt() override; - double memory_usage(); - void grow_arrays(int); - void copy_arrays(int, int, int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); - int pack_restart(int, double *); - void unpack_restart(int, int); - int size_restart(int); - int maxsize_restart(); + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + int pack_restart(int, double *) override; + void unpack_restart(int, int) override; + int size_restart(int) override; + int maxsize_restart() override; - virtual void *extract(const char *, int &); + void *extract(const char *, int &) override; void init_gle(); void init_gles(); diff --git a/src/EXTRA-FIX/fix_momentum_chunk.h b/src/EXTRA-FIX/fix_momentum_chunk.h index d290582187..b3641a204a 100644 --- a/src/EXTRA-FIX/fix_momentum_chunk.h +++ b/src/EXTRA-FIX/fix_momentum_chunk.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class FixMomentumChunk : public Fix { public: FixMomentumChunk(class LAMMPS *, int, char **); - virtual ~FixMomentumChunk(); - int setmask(); - void init(); - void end_of_step(); - void post_run(); + ~FixMomentumChunk() override; + int setmask() override; + void init() override; + void end_of_step() override; + void post_run() override; protected: std::string id_chunk, id_com, id_vcm, id_omega; diff --git a/src/EXTRA-FIX/fix_npt_cauchy.h b/src/EXTRA-FIX/fix_npt_cauchy.h index 80122ad0ac..8150e59f6f 100644 --- a/src/EXTRA-FIX/fix_npt_cauchy.h +++ b/src/EXTRA-FIX/fix_npt_cauchy.h @@ -27,27 +27,27 @@ namespace LAMMPS_NS { class FixNPTCauchy : public Fix { public: FixNPTCauchy(class LAMMPS *, int, char **); - virtual void post_constructor(); - virtual ~FixNPTCauchy(); - 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 *); + void post_constructor() override; + ~FixNPTCauchy() override; + 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; diff --git a/src/EXTRA-FIX/fix_numdiff.h b/src/EXTRA-FIX/fix_numdiff.h index b6b97c21bd..1f5fecf421 100644 --- a/src/EXTRA-FIX/fix_numdiff.h +++ b/src/EXTRA-FIX/fix_numdiff.h @@ -27,15 +27,15 @@ namespace LAMMPS_NS { class FixNumDiff : public Fix { public: FixNumDiff(class LAMMPS *, int, char **); - ~FixNumDiff(); - int setmask(); - void init(); - void setup(int); - void min_setup(int); - void post_force(int); - void post_force_respa(int, int, int); - void min_post_force(int); - double memory_usage(); + ~FixNumDiff() override; + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void min_post_force(int) override; + double memory_usage() override; private: double delta; diff --git a/src/EXTRA-FIX/fix_nvk.h b/src/EXTRA-FIX/fix_nvk.h index 90162e2fc0..67b2cb6916 100644 --- a/src/EXTRA-FIX/fix_nvk.h +++ b/src/EXTRA-FIX/fix_nvk.h @@ -27,14 +27,14 @@ namespace LAMMPS_NS { class FixNVK : public Fix { public: FixNVK(class LAMMPS *, int, char **); - virtual ~FixNVK() {} - int setmask(); - virtual void init(); - virtual void initial_integrate(int); - virtual void final_integrate(); - virtual void initial_integrate_respa(int, int, int); - virtual void final_integrate_respa(int, int); - virtual void reset_dt(); + + int setmask() override; + void init() override; + void initial_integrate(int) override; + void final_integrate() override; + void initial_integrate_respa(int, int, int) override; + void final_integrate_respa(int, int) override; + void reset_dt() override; protected: double dtv, dtf; diff --git a/src/EXTRA-FIX/fix_oneway.h b/src/EXTRA-FIX/fix_oneway.h index d3b2cf7b65..ad6a5dc106 100644 --- a/src/EXTRA-FIX/fix_oneway.h +++ b/src/EXTRA-FIX/fix_oneway.h @@ -27,10 +27,10 @@ namespace LAMMPS_NS { class FixOneWay : public Fix { public: FixOneWay(class LAMMPS *, int, char **); - virtual ~FixOneWay(); - int setmask(); - virtual void init(); - virtual void end_of_step(); + ~FixOneWay() override; + int setmask() override; + void init() override; + void end_of_step() override; protected: int direction; diff --git a/src/EXTRA-FIX/fix_pafi.h b/src/EXTRA-FIX/fix_pafi.h index 32942bc1e1..7cf0bb9856 100644 --- a/src/EXTRA-FIX/fix_pafi.h +++ b/src/EXTRA-FIX/fix_pafi.h @@ -27,25 +27,25 @@ namespace LAMMPS_NS { class FixPAFI : public Fix { public: FixPAFI(class LAMMPS *, int, char **); - virtual ~FixPAFI(); - int setmask(); - virtual void init(); + ~FixPAFI() override; + int setmask() override; + void init() override; - void setup(int); - void min_setup(int); - virtual void post_force(int); + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; - void post_force_respa(int, int, int); - void min_post_force(int); - double compute_vector(int); + void post_force_respa(int, int, int) override; + void min_post_force(int) override; + double compute_vector(int) override; // nve - virtual void initial_integrate(int); - virtual void final_integrate(); - virtual void initial_integrate_respa(int, int, int); - virtual void final_integrate_respa(int, int); - virtual void reset_dt(); + 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; - double memory_usage(); + double memory_usage() override; protected: int varflag, icompute; diff --git a/src/EXTRA-FIX/fix_rhok.h b/src/EXTRA-FIX/fix_rhok.h index 1a69c7a24e..3ddabf1ebb 100644 --- a/src/EXTRA-FIX/fix_rhok.h +++ b/src/EXTRA-FIX/fix_rhok.h @@ -27,32 +27,31 @@ class FixRhok : public Fix { // Constructor: all the parameters to this fix specified in // the LAMMPS input get passed in FixRhok(LAMMPS *inLMP, int inArgc, char **inArgv); - virtual ~FixRhok(){}; // Methods that this fix implements // -------------------------------- // Tells LAMMPS where this fix should act - int setmask(); + int setmask() override; // Initializes the fix at the beginning of a run - void init(); + void init() override; // Initial application of the fix to a system (when doing MD / minimization) - void setup(int inVFlag); - void min_setup(int inVFlag); + void setup(int inVFlag) override; + void min_setup(int inVFlag) override; // Modify the forces calculated in the main force loop, either when // doing usual MD, RESPA MD or minimization - void post_force(int inVFlag); - void post_force_respa(int inVFlag, int inILevel, int inILoop); - void min_post_force(int inVFlag); + void post_force(int inVFlag) override; + void post_force_respa(int inVFlag, int inILevel, int inILoop) override; + void min_post_force(int inVFlag) override; // Compute the change in the potential energy induced by this fix - double compute_scalar(); + double compute_scalar() override; // Compute the ith component of the vector associated with this fix - double compute_vector(int inI); + double compute_vector(int inI) override; private: // RESPA boilerplate diff --git a/src/EXTRA-FIX/fix_smd.h b/src/EXTRA-FIX/fix_smd.h index d26ecd7600..cae1319dc1 100644 --- a/src/EXTRA-FIX/fix_smd.h +++ b/src/EXTRA-FIX/fix_smd.h @@ -27,15 +27,15 @@ namespace LAMMPS_NS { class FixSMD : public Fix { public: FixSMD(class LAMMPS *, int, char **); - int setmask(); - void init(); - void setup(int); - void post_force(int); - void post_force_respa(int, int, int); - double compute_vector(int); + int setmask() override; + void init() override; + void setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + double compute_vector(int) override; - void write_restart(FILE *); - void restart(char *); + void write_restart(FILE *) override; + void restart(char *) override; private: double xc, yc, zc, xn, yn, zn, r0; diff --git a/src/EXTRA-FIX/fix_spring_rg.h b/src/EXTRA-FIX/fix_spring_rg.h index 997580c4c2..d0cb93e25e 100644 --- a/src/EXTRA-FIX/fix_spring_rg.h +++ b/src/EXTRA-FIX/fix_spring_rg.h @@ -27,14 +27,14 @@ namespace LAMMPS_NS { class FixSpringRG : public Fix { public: FixSpringRG(class LAMMPS *, int, char **); - int setmask(); - void init(); - void setup(int); - void post_force(int); - void post_force_respa(int, int, int); - void write_restart(FILE *); - void restart(char *); - double compute_scalar(); + int setmask() override; + void init() override; + void setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void write_restart(FILE *) override; + void restart(char *) override; + double compute_scalar() override; private: int ilevel_respa, rg0_flag; diff --git a/src/EXTRA-FIX/fix_temp_csld.h b/src/EXTRA-FIX/fix_temp_csld.h index 687e79079f..f6a2970389 100644 --- a/src/EXTRA-FIX/fix_temp_csld.h +++ b/src/EXTRA-FIX/fix_temp_csld.h @@ -27,16 +27,16 @@ namespace LAMMPS_NS { class FixTempCSLD : public Fix { public: FixTempCSLD(class LAMMPS *, int, char **); - ~FixTempCSLD(); - int setmask(); - void init(); - void end_of_step(); - int modify_param(int, char **); - void reset_target(double); - virtual double compute_scalar(); - void write_restart(FILE *); - void restart(char *buf); - virtual void *extract(const char *, int &); + ~FixTempCSLD() override; + int setmask() override; + void init() override; + void end_of_step() override; + int modify_param(int, char **) override; + void reset_target(double) override; + double compute_scalar() override; + void write_restart(FILE *) override; + void restart(char *buf) override; + void *extract(const char *, int &) override; private: double t_start, t_stop, t_period, t_target; diff --git a/src/EXTRA-FIX/fix_temp_csvr.h b/src/EXTRA-FIX/fix_temp_csvr.h index ce6c785841..c1b4dbfd93 100644 --- a/src/EXTRA-FIX/fix_temp_csvr.h +++ b/src/EXTRA-FIX/fix_temp_csvr.h @@ -27,16 +27,16 @@ namespace LAMMPS_NS { class FixTempCSVR : public Fix { public: FixTempCSVR(class LAMMPS *, int, char **); - ~FixTempCSVR(); - int setmask(); - void init(); - void end_of_step(); - int modify_param(int, char **); - void reset_target(double); - virtual double compute_scalar(); - void write_restart(FILE *); - void restart(char *buf); - virtual void *extract(const char *, int &); + ~FixTempCSVR() override; + int setmask() override; + void init() override; + void end_of_step() override; + int modify_param(int, char **) override; + void reset_target(double) override; + double compute_scalar() override; + void write_restart(FILE *) override; + void restart(char *buf) override; + void *extract(const char *, int &) override; private: double t_start, t_stop, t_period, t_target; diff --git a/src/EXTRA-FIX/fix_ti_spring.h b/src/EXTRA-FIX/fix_ti_spring.h index 0900a71dee..d2f02f8a3e 100644 --- a/src/EXTRA-FIX/fix_ti_spring.h +++ b/src/EXTRA-FIX/fix_ti_spring.h @@ -34,27 +34,27 @@ namespace LAMMPS_NS { class FixTISpring : public Fix { public: FixTISpring(class LAMMPS *, int, char **); - ~FixTISpring(); - int setmask(); - void init(); - void setup(int); - void min_setup(int); - void post_force(int); - void post_force_respa(int, int, int); - void min_post_force(int); - void initial_integrate(int); - double compute_scalar(); - double compute_vector(int); + ~FixTISpring() override; + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void min_post_force(int) override; + void initial_integrate(int) override; + double compute_scalar() override; + double compute_vector(int) override; - double memory_usage(); - void grow_arrays(int); - void copy_arrays(int, int, int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); - int pack_restart(int, double *); - void unpack_restart(int, int); - int size_restart(int); - int maxsize_restart(); + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + int pack_restart(int, double *) override; + void unpack_restart(int, int) override; + int size_restart(int) override; + int maxsize_restart() override; private: double switch_func(double); // Switching function. diff --git a/src/EXTRA-FIX/fix_tmd.h b/src/EXTRA-FIX/fix_tmd.h index b85869930a..9ba8ad6096 100644 --- a/src/EXTRA-FIX/fix_tmd.h +++ b/src/EXTRA-FIX/fix_tmd.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class FixTMD : public Fix { public: FixTMD(class LAMMPS *, int, char **); - ~FixTMD(); - int setmask(); - void init(); - void initial_integrate(int); - void initial_integrate_respa(int, int, int); + ~FixTMD() override; + int setmask() override; + void init() override; + void initial_integrate(int) override; + void initial_integrate_respa(int, int, int) override; - double memory_usage(); - void grow_arrays(int); - void copy_arrays(int, int, int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); - void reset_dt(); + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + void reset_dt() override; private: int me; diff --git a/src/EXTRA-FIX/fix_ttm.h b/src/EXTRA-FIX/fix_ttm.h index da782b1f5a..76f2e62ed4 100644 --- a/src/EXTRA-FIX/fix_ttm.h +++ b/src/EXTRA-FIX/fix_ttm.h @@ -28,26 +28,26 @@ namespace LAMMPS_NS { class FixTTM : public Fix { public: FixTTM(class LAMMPS *, int, char **); - virtual ~FixTTM(); - virtual void post_constructor(); - int setmask(); - virtual void init(); - void setup(int); + ~FixTTM() override; + void post_constructor() override; + int setmask() override; + void init() override; + void setup(int) override; void post_force_setup(int); - virtual void post_force(int); + void post_force(int) override; void post_force_respa_setup(int, int, int); - void post_force_respa(int, int, int); - virtual void end_of_step(); - void reset_dt(); - void grow_arrays(int); - virtual void write_restart(FILE *); - virtual void restart(char *); - int pack_restart(int, double *); - void unpack_restart(int, int); - int size_restart(int); - int maxsize_restart(); - virtual double compute_vector(int); - virtual double memory_usage(); + void post_force_respa(int, int, int) override; + void end_of_step() override; + void reset_dt() override; + void grow_arrays(int) override; + void write_restart(FILE *) override; + void restart(char *) override; + int pack_restart(int, double *) override; + void unpack_restart(int, int) override; + int size_restart(int) override; + int maxsize_restart() override; + double compute_vector(int) override; + double memory_usage() override; protected: int nlevels_respa; diff --git a/src/EXTRA-FIX/fix_ttm_grid.h b/src/EXTRA-FIX/fix_ttm_grid.h index 46d5b67ec1..aeb1106e42 100644 --- a/src/EXTRA-FIX/fix_ttm_grid.h +++ b/src/EXTRA-FIX/fix_ttm_grid.h @@ -27,25 +27,25 @@ namespace LAMMPS_NS { class FixTTMGrid : public FixTTM { public: FixTTMGrid(class LAMMPS *, int, char **); - ~FixTTMGrid(); - void post_constructor(); - void init(); - void post_force(int); - void end_of_step(); + ~FixTTMGrid() override; + void post_constructor() override; + void init() override; + void post_force(int) override; + void end_of_step() override; // grid communication - void pack_forward_grid(int, void *, int, int *); - void unpack_forward_grid(int, void *, int, int *); - void pack_reverse_grid(int, void *, int, int *); - void unpack_reverse_grid(int, void *, int, int *); - void pack_gather_grid(int, void *); - void unpack_gather_grid(int, void *, void *, int, int, int, int, int, int); + void pack_forward_grid(int, void *, int, int *) override; + void unpack_forward_grid(int, void *, int, int *) override; + void pack_reverse_grid(int, void *, int, int *) override; + void unpack_reverse_grid(int, void *, int, int *) override; + void pack_gather_grid(int, void *) override; + void unpack_gather_grid(int, void *, void *, int, int, int, int, int, int) override; - void write_restart(FILE *); - void restart(char *); - double compute_vector(int); - double memory_usage(); + void write_restart(FILE *) override; + void restart(char *) override; + double compute_vector(int) override; + double memory_usage() override; private: int ngridmine,ngridout; @@ -59,10 +59,10 @@ class FixTTMGrid : public FixTTM { int ngc_buf1,ngc_buf2; double *gc_buf1,*gc_buf2; - void allocate_grid(); - void deallocate_grid(); - void read_electron_temperatures(const std::string &); - void write_electron_temperatures(const std::string &); + void allocate_grid() override; + void deallocate_grid() override; + void read_electron_temperatures(const std::string &) override; + void write_electron_temperatures(const std::string &) override; }; } // namespace LAMMPS_NS diff --git a/src/EXTRA-FIX/fix_ttm_mod.h b/src/EXTRA-FIX/fix_ttm_mod.h index 21eb0efcaa..74ff301ae9 100644 --- a/src/EXTRA-FIX/fix_ttm_mod.h +++ b/src/EXTRA-FIX/fix_ttm_mod.h @@ -33,25 +33,25 @@ struct el_heat_capacity_thermal_conductivity { class FixTTMMod : public Fix { public: FixTTMMod(class LAMMPS *, int, char **); - ~FixTTMMod(); - int setmask(); - void init(); - void setup(int); - void post_force(int); - void post_force_respa(int, int, int); + ~FixTTMMod() override; + int setmask() override; + void init() override; + void setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; void post_force_setup(int); void post_force_respa_setup(int, int, int); - void end_of_step(); - void reset_dt(); - void write_restart(FILE *); - void restart(char *); - int pack_restart(int, double *); - void unpack_restart(int, int); - int size_restart(int); - int maxsize_restart(); - double memory_usage(); - void grow_arrays(int); - double compute_vector(int); + void end_of_step() override; + void reset_dt() override; + void write_restart(FILE *) override; + void restart(char *) override; + int pack_restart(int, double *) override; + void unpack_restart(int, int) override; + int size_restart(int) override; + int maxsize_restart() override; + double memory_usage() override; + void grow_arrays(int) override; + double compute_vector(int) override; private: int nlevels_respa; diff --git a/src/EXTRA-FIX/fix_viscosity.h b/src/EXTRA-FIX/fix_viscosity.h index 559de6c362..e46dbafe84 100644 --- a/src/EXTRA-FIX/fix_viscosity.h +++ b/src/EXTRA-FIX/fix_viscosity.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class FixViscosity : public Fix { public: FixViscosity(class LAMMPS *, int, char **); - ~FixViscosity(); - int setmask(); - void init(); - void end_of_step(); - double compute_scalar(); + ~FixViscosity() override; + int setmask() override; + void init() override; + void end_of_step() override; + double compute_scalar() override; private: int me; diff --git a/src/EXTRA-FIX/fix_wall_ees.h b/src/EXTRA-FIX/fix_wall_ees.h index 5bfb821c43..af235af13b 100644 --- a/src/EXTRA-FIX/fix_wall_ees.h +++ b/src/EXTRA-FIX/fix_wall_ees.h @@ -27,9 +27,9 @@ namespace LAMMPS_NS { class FixWallEES : public FixWall { public: FixWallEES(class LAMMPS *, int, char **); - void precompute(int); - void init(); - void wall_particle(int, int, double); + void precompute(int) override; + void init() override; + void wall_particle(int, int, double) override; private: double coeff1[6], coeff2[6], coeff3[6], coeff4[6], coeff5[6], coeff6[6]; diff --git a/src/EXTRA-FIX/fix_wall_reflect_stochastic.h b/src/EXTRA-FIX/fix_wall_reflect_stochastic.h index b895a569f0..e1794376cf 100644 --- a/src/EXTRA-FIX/fix_wall_reflect_stochastic.h +++ b/src/EXTRA-FIX/fix_wall_reflect_stochastic.h @@ -27,7 +27,7 @@ namespace LAMMPS_NS { class FixWallReflectStochastic : public FixWallReflect { public: FixWallReflectStochastic(class LAMMPS *, int, char **); - virtual ~FixWallReflectStochastic(); + ~FixWallReflectStochastic() override; private: int seedfix; @@ -36,7 +36,7 @@ class FixWallReflectStochastic : public FixWallReflect { class RanMars *random; - void wall_particle(int m, int which, double coord); + void wall_particle(int m, int which, double coord) override; }; } // namespace LAMMPS_NS diff --git a/src/EXTRA-FIX/fix_wall_region_ees.h b/src/EXTRA-FIX/fix_wall_region_ees.h index b34e8238a8..5163d99e90 100644 --- a/src/EXTRA-FIX/fix_wall_region_ees.h +++ b/src/EXTRA-FIX/fix_wall_region_ees.h @@ -27,16 +27,16 @@ namespace LAMMPS_NS { class FixWallRegionEES : public Fix { public: FixWallRegionEES(class LAMMPS *, int, char **); - ~FixWallRegionEES(); - int setmask(); - void init(); - void setup(int); - void min_setup(int); - void post_force(int); - void post_force_respa(int, int, int); - void min_post_force(int); - double compute_scalar(); - double compute_vector(int); + ~FixWallRegionEES() override; + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void min_post_force(int) override; + double compute_scalar() override; + double compute_vector(int) override; private: class AtomVecEllipsoid *avec; diff --git a/src/FEP/fix_adapt_fep.h b/src/FEP/fix_adapt_fep.h index 2aadf373b5..a7cfdad868 100644 --- a/src/FEP/fix_adapt_fep.h +++ b/src/FEP/fix_adapt_fep.h @@ -30,16 +30,16 @@ class FixAdaptFEP : public Fix { int chgflag; FixAdaptFEP(class LAMMPS *, int, char **); - ~FixAdaptFEP(); - int setmask(); - void post_constructor(); - void init(); - void setup_pre_force(int); - void pre_force(int); - void post_run(); - void setup_pre_force_respa(int, int); - void pre_force_respa(int, int, int); - void set_arrays(int); + ~FixAdaptFEP() override; + int setmask() override; + void post_constructor() override; + void init() override; + void setup_pre_force(int) override; + void pre_force(int) override; + void post_run() override; + void setup_pre_force_respa(int, int) override; + void pre_force_respa(int, int, int) override; + void set_arrays(int) override; private: int nadapt, resetflag, scaleflag, afterflag; diff --git a/src/GPU/fix_gpu.h b/src/GPU/fix_gpu.h index 4e344c85c7..c152c54fb3 100644 --- a/src/GPU/fix_gpu.h +++ b/src/GPU/fix_gpu.h @@ -27,15 +27,15 @@ namespace LAMMPS_NS { class FixGPU : public Fix { public: FixGPU(class LAMMPS *, int, char **); - ~FixGPU(); - int setmask(); - void init(); - void setup(int); - void min_setup(int); - void post_force(int); - void min_post_force(int); - void post_force_respa(int, int, int); - double memory_usage(); + ~FixGPU() override; + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; + void min_post_force(int) override; + void post_force_respa(int, int, int) override; + double memory_usage() override; double binsize(const double subx, const double suby, const double subz, const int nlocal, const double cut); diff --git a/src/GPU/fix_nh_gpu.h b/src/GPU/fix_nh_gpu.h index 7a08b0382c..7461b20d64 100644 --- a/src/GPU/fix_nh_gpu.h +++ b/src/GPU/fix_nh_gpu.h @@ -25,21 +25,21 @@ namespace LAMMPS_NS { class FixNHGPU : public FixNH { public: FixNHGPU(class LAMMPS *, int, char **); - virtual ~FixNHGPU(); - virtual void setup(int vflag); - void reset_dt(); - virtual void final_integrate(); - virtual double memory_usage(); + ~FixNHGPU() override; + void setup(int vflag) override; + void reset_dt() override; + void final_integrate() override; + double memory_usage() override; protected: double *_dtfm; int _nlocal3, _nlocal_max, _respa_on; - virtual void remap(); - virtual void nve_x(); - virtual void nve_v(); - virtual void nh_v_press(); - virtual void nh_v_temp(); + void remap() override; + void nve_x() override; + void nve_v() override; + void nh_v_press() override; + void nh_v_temp() override; }; } // namespace LAMMPS_NS diff --git a/src/GPU/fix_npt_gpu.h b/src/GPU/fix_npt_gpu.h index d771acdd01..5068031132 100644 --- a/src/GPU/fix_npt_gpu.h +++ b/src/GPU/fix_npt_gpu.h @@ -31,7 +31,6 @@ namespace LAMMPS_NS { class FixNPTGPU : public FixNHGPU { public: FixNPTGPU(class LAMMPS *, int, char **); - ~FixNPTGPU() {} }; } // namespace LAMMPS_NS diff --git a/src/GPU/fix_nve_asphere_gpu.h b/src/GPU/fix_nve_asphere_gpu.h index d3fd0fb05a..a0420d6577 100644 --- a/src/GPU/fix_nve_asphere_gpu.h +++ b/src/GPU/fix_nve_asphere_gpu.h @@ -31,12 +31,12 @@ namespace LAMMPS_NS { class FixNVEAsphereGPU : public FixNVE { public: FixNVEAsphereGPU(class LAMMPS *, int, char **); - void init(); - void setup(int vflag); - void initial_integrate(int); - void final_integrate(); - void reset_dt(); - virtual double memory_usage(); + void init() override; + void setup(int vflag) override; + void initial_integrate(int) override; + void final_integrate() override; + void reset_dt() override; + double memory_usage() override; private: double reset_dt_omp(const int, const int, const int); diff --git a/src/GPU/fix_nve_gpu.h b/src/GPU/fix_nve_gpu.h index adeaeeff50..30e805c770 100644 --- a/src/GPU/fix_nve_gpu.h +++ b/src/GPU/fix_nve_gpu.h @@ -31,12 +31,12 @@ namespace LAMMPS_NS { class FixNVEGPU : public FixNVE { public: FixNVEGPU(class LAMMPS *, int, char **); - virtual ~FixNVEGPU(); - virtual void setup(int); - virtual void initial_integrate(int); - virtual void final_integrate(); - virtual void reset_dt(); - virtual double memory_usage(); + ~FixNVEGPU() override; + void setup(int) override; + void initial_integrate(int) override; + void final_integrate() override; + void reset_dt() override; + double memory_usage() override; protected: void reset_dt_omp(const int, const int, const int); diff --git a/src/GPU/fix_nvt_gpu.h b/src/GPU/fix_nvt_gpu.h index af0ab1de86..310eabdafa 100644 --- a/src/GPU/fix_nvt_gpu.h +++ b/src/GPU/fix_nvt_gpu.h @@ -31,7 +31,6 @@ namespace LAMMPS_NS { class FixNVTGPU : public FixNHGPU { public: FixNVTGPU(class LAMMPS *, int, char **); - ~FixNVTGPU() {} }; } // namespace LAMMPS_NS diff --git a/src/GRANULAR/fix_freeze.h b/src/GRANULAR/fix_freeze.h index 5846bfd769..23cdc7c305 100644 --- a/src/GRANULAR/fix_freeze.h +++ b/src/GRANULAR/fix_freeze.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class FixFreeze : public Fix { public: FixFreeze(class LAMMPS *, int, char **); - int setmask(); - void init(); - void setup(int); - virtual void post_force(int); - void post_force_respa(int, int, int); - double compute_vector(int); + int setmask() override; + void init() override; + void setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + double compute_vector(int) override; protected: int force_flag; diff --git a/src/GRANULAR/fix_pour.h b/src/GRANULAR/fix_pour.h index 7c0bd5aff8..16ef3b7f32 100644 --- a/src/GRANULAR/fix_pour.h +++ b/src/GRANULAR/fix_pour.h @@ -27,13 +27,13 @@ namespace LAMMPS_NS { class FixPour : public Fix { public: FixPour(class LAMMPS *, int, char **); - ~FixPour(); - int setmask(); - void init(); - void setup_pre_exchange(); - void pre_exchange(); - void reset_dt(); - void *extract(const char *, int &); + ~FixPour() override; + int setmask() override; + void init() override; + void setup_pre_exchange() override; + void pre_exchange() override; + void reset_dt() override; + void *extract(const char *, int &) override; private: int ninsert, ntype, seed; diff --git a/src/GRANULAR/fix_wall_gran.h b/src/GRANULAR/fix_wall_gran.h index 9a7c4055a1..f59a43ae3f 100644 --- a/src/GRANULAR/fix_wall_gran.h +++ b/src/GRANULAR/fix_wall_gran.h @@ -30,24 +30,24 @@ class FixWallGran : public Fix { enum { NORMAL_NONE, NORMAL_HOOKE, NORMAL_HERTZ, HERTZ_MATERIAL, DMT, JKR }; FixWallGran(class LAMMPS *, int, char **); - virtual ~FixWallGran(); - int setmask(); - virtual void init(); - void setup(int); - virtual void post_force(int); - virtual void post_force_respa(int, int, int); + ~FixWallGran() override; + int setmask() override; + void init() override; + void setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; - virtual double memory_usage(); - virtual void grow_arrays(int); - virtual void copy_arrays(int, int, int); - virtual void set_arrays(int); - virtual int pack_exchange(int, double *); - virtual int unpack_exchange(int, double *); - virtual int pack_restart(int, double *); - virtual void unpack_restart(int, int); - virtual int size_restart(int); - virtual int maxsize_restart(); - void reset_dt(); + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + void set_arrays(int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + int pack_restart(int, double *) override; + void unpack_restart(int, int) override; + int size_restart(int) override; + int maxsize_restart() override; + void reset_dt() override; void hooke(double, double, double, double, double *, double *, double *, double *, double *, double, double, double *); diff --git a/src/GRANULAR/fix_wall_gran_region.h b/src/GRANULAR/fix_wall_gran_region.h index e7f9dc89ef..6e95afeabc 100644 --- a/src/GRANULAR/fix_wall_gran_region.h +++ b/src/GRANULAR/fix_wall_gran_region.h @@ -27,22 +27,22 @@ namespace LAMMPS_NS { class FixWallGranRegion : public FixWallGran { public: FixWallGranRegion(class LAMMPS *, int, char **); - ~FixWallGranRegion(); - void post_force(int); - void write_restart(FILE *); - void restart(char *); - void init(); + ~FixWallGranRegion() override; + void post_force(int) override; + void write_restart(FILE *) override; + void restart(char *) override; + void init() override; - double memory_usage(); - void grow_arrays(int); - void copy_arrays(int, int, int); - void set_arrays(int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); - int pack_restart(int, double *); - void unpack_restart(int, int); - int size_restart(int); - int maxsize_restart(); + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + void set_arrays(int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + int pack_restart(int, double *) override; + void unpack_restart(int, int) override; + int size_restart(int) override; + int maxsize_restart() override; private: class Region *region; diff --git a/src/INTEL/fix_nh_intel.h b/src/INTEL/fix_nh_intel.h index 3d1a9c389f..3893a206f8 100644 --- a/src/INTEL/fix_nh_intel.h +++ b/src/INTEL/fix_nh_intel.h @@ -26,20 +26,20 @@ namespace LAMMPS_NS { class FixNHIntel : public FixNH { public: FixNHIntel(class LAMMPS *, int, char **); - virtual ~FixNHIntel(); - virtual void setup(int vflag); - void reset_dt(); - virtual double memory_usage(); + ~FixNHIntel() override; + void setup(int vflag) override; + void reset_dt() override; + double memory_usage() override; protected: double *_dtfm; int _nlocal3, _nlocal_max; - virtual void remap(); - virtual void nve_x(); - virtual void nve_v(); - virtual void nh_v_press(); - virtual void nh_v_temp(); + void remap() override; + void nve_x() override; + void nve_v() override; + void nh_v_press() override; + void nh_v_temp() override; }; } diff --git a/src/INTEL/fix_npt_intel.h b/src/INTEL/fix_npt_intel.h index 17d3793a9b..22179ec18e 100644 --- a/src/INTEL/fix_npt_intel.h +++ b/src/INTEL/fix_npt_intel.h @@ -32,7 +32,6 @@ namespace LAMMPS_NS { class FixNPTIntel : public FixNHIntel { public: FixNPTIntel(class LAMMPS *, int, char **); - ~FixNPTIntel() {} }; } // namespace LAMMPS_NS diff --git a/src/INTEL/fix_nve_asphere_intel.h b/src/INTEL/fix_nve_asphere_intel.h index 2b09f99548..b2d00de8c0 100644 --- a/src/INTEL/fix_nve_asphere_intel.h +++ b/src/INTEL/fix_nve_asphere_intel.h @@ -32,12 +32,12 @@ namespace LAMMPS_NS { class FixNVEAsphereIntel : public FixNVE { public: FixNVEAsphereIntel(class LAMMPS *, int, char **); - void init(); - void setup(int vflag); - void initial_integrate(int); - void final_integrate(); - void reset_dt(); - virtual double memory_usage(); + void init() override; + void setup(int vflag) override; + void initial_integrate(int) override; + void final_integrate() override; + void reset_dt() override; + double memory_usage() override; private: double *_dtfm, *_inertia0, *_inertia1, *_inertia2; diff --git a/src/INTEL/fix_nve_intel.h b/src/INTEL/fix_nve_intel.h index b37b5eaf65..ff793e3f20 100644 --- a/src/INTEL/fix_nve_intel.h +++ b/src/INTEL/fix_nve_intel.h @@ -32,12 +32,12 @@ namespace LAMMPS_NS { class FixNVEIntel : public FixNVE { public: FixNVEIntel(class LAMMPS *, int, char **); - virtual ~FixNVEIntel(); - virtual void setup(int); - virtual void initial_integrate(int); - virtual void final_integrate(); - virtual void reset_dt(); - virtual double memory_usage(); + ~FixNVEIntel() override; + void setup(int) override; + void initial_integrate(int) override; + void final_integrate() override; + void reset_dt() override; + double memory_usage() override; protected: double *_dtfm; diff --git a/src/INTEL/fix_nvt_intel.h b/src/INTEL/fix_nvt_intel.h index 93834c189e..585df9c542 100644 --- a/src/INTEL/fix_nvt_intel.h +++ b/src/INTEL/fix_nvt_intel.h @@ -32,7 +32,6 @@ namespace LAMMPS_NS { class FixNVTIntel : public FixNHIntel { public: FixNVTIntel(class LAMMPS *, int, char **); - ~FixNVTIntel() {} }; } // namespace LAMMPS_NS diff --git a/src/INTEL/fix_nvt_sllod_intel.h b/src/INTEL/fix_nvt_sllod_intel.h index 12f116dcba..aaa2f91a8e 100644 --- a/src/INTEL/fix_nvt_sllod_intel.h +++ b/src/INTEL/fix_nvt_sllod_intel.h @@ -32,13 +32,12 @@ namespace LAMMPS_NS { class FixNVTSllodIntel : public FixNHIntel { public: FixNVTSllodIntel(class LAMMPS *, int, char **); - ~FixNVTSllodIntel() {} - void init(); + void init() override; private: int nondeformbias; - void nh_v_temp(); + void nh_v_temp() override; }; } // namespace LAMMPS_NS diff --git a/src/KOKKOS/fix_deform_kokkos.h b/src/KOKKOS/fix_deform_kokkos.h index e0835b5e0a..c57c493cb0 100644 --- a/src/KOKKOS/fix_deform_kokkos.h +++ b/src/KOKKOS/fix_deform_kokkos.h @@ -29,11 +29,10 @@ namespace LAMMPS_NS { class FixDeformKokkos : public FixDeform { public: - FixDeformKokkos(class LAMMPS *, int, char **); - virtual ~FixDeformKokkos() {} - void pre_exchange(); - void end_of_step(); + + void pre_exchange() override; + void end_of_step() override; private: class DomainKokkos *domainKK; diff --git a/src/KOKKOS/fix_dpd_energy_kokkos.h b/src/KOKKOS/fix_dpd_energy_kokkos.h index 2986b9707c..700089770a 100644 --- a/src/KOKKOS/fix_dpd_energy_kokkos.h +++ b/src/KOKKOS/fix_dpd_energy_kokkos.h @@ -32,9 +32,9 @@ template class FixDPDenergyKokkos : public FixDPDenergy { public: FixDPDenergyKokkos(class LAMMPS *, int, char **); - virtual ~FixDPDenergyKokkos() {} - virtual void initial_integrate(int); - virtual void final_integrate(); + + void initial_integrate(int) override; + void final_integrate() override; void take_half_step(); protected: diff --git a/src/KOKKOS/fix_enforce2d_kokkos.h b/src/KOKKOS/fix_enforce2d_kokkos.h index 9edd332e91..195cc48974 100644 --- a/src/KOKKOS/fix_enforce2d_kokkos.h +++ b/src/KOKKOS/fix_enforce2d_kokkos.h @@ -33,8 +33,8 @@ class FixEnforce2DKokkos : public FixEnforce2D { public: FixEnforce2DKokkos(class LAMMPS *, int, char **); // ~FixEnforce2DKokkos() {} - void setup(int); - void post_force(int); + void setup(int) override; + void post_force(int) override; template KOKKOS_INLINE_FUNCTION diff --git a/src/KOKKOS/fix_eos_table_rx_kokkos.h b/src/KOKKOS/fix_eos_table_rx_kokkos.h index 66d9a70390..68a854619b 100644 --- a/src/KOKKOS/fix_eos_table_rx_kokkos.h +++ b/src/KOKKOS/fix_eos_table_rx_kokkos.h @@ -41,11 +41,11 @@ class FixEOStableRXKokkos : public FixEOStableRX { typedef EV_FLOAT value_type; FixEOStableRXKokkos(class LAMMPS *, int, char **); - virtual ~FixEOStableRXKokkos(); - void setup(int); - void init(); - void post_integrate(); - void end_of_step(); + ~FixEOStableRXKokkos() override; + void setup(int) override; + void init() override; + void post_integrate() override; + void end_of_step() override; KOKKOS_INLINE_FUNCTION void operator()(TagFixEOStableRXInit, const int&) const; @@ -123,10 +123,10 @@ class FixEOStableRXKokkos : public FixEOStableRX { DAT::tdual_int_scalar k_error_flag; DAT::tdual_int_scalar k_warning_flag; - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); - int pack_forward_comm(int , int *, double *, int, int *); - void unpack_forward_comm(int , int , double *); + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; + int pack_forward_comm(int , int *, double *, int, int *) override; + void unpack_forward_comm(int , int , double *) override; }; } diff --git a/src/KOKKOS/fix_freeze_kokkos.h b/src/KOKKOS/fix_freeze_kokkos.h index 67d4f3272c..28438d5f91 100644 --- a/src/KOKKOS/fix_freeze_kokkos.h +++ b/src/KOKKOS/fix_freeze_kokkos.h @@ -59,7 +59,7 @@ class FixFreezeKokkos : public FixFreeze { }; FixFreezeKokkos(class LAMMPS *, int, char **); - void post_force(int); + void post_force(int) override; KOKKOS_INLINE_FUNCTION void operator()(const int i, OriginalForce &original) const; diff --git a/src/KOKKOS/fix_gravity_kokkos.h b/src/KOKKOS/fix_gravity_kokkos.h index 3526b94d4c..779da5a8b0 100644 --- a/src/KOKKOS/fix_gravity_kokkos.h +++ b/src/KOKKOS/fix_gravity_kokkos.h @@ -35,8 +35,8 @@ template class FixGravityKokkos : public FixGravity { public: FixGravityKokkos(class LAMMPS *, int, char **); - virtual ~FixGravityKokkos() {} - void post_force(int); + + void post_force(int) override; KOKKOS_INLINE_FUNCTION void operator()(TagFixGravityRMass, const int, double &) const; diff --git a/src/KOKKOS/fix_momentum_kokkos.h b/src/KOKKOS/fix_momentum_kokkos.h index 8dc3053acf..eaf93e9756 100644 --- a/src/KOKKOS/fix_momentum_kokkos.h +++ b/src/KOKKOS/fix_momentum_kokkos.h @@ -34,7 +34,7 @@ class FixMomentumKokkos : public FixMomentum { typedef ArrayTypes AT; FixMomentumKokkos(class LAMMPS *, int, char **); - void end_of_step(); + void end_of_step() override; }; } diff --git a/src/KOKKOS/fix_neigh_history_kokkos.h b/src/KOKKOS/fix_neigh_history_kokkos.h index 0442b46cbd..e27d92bee8 100644 --- a/src/KOKKOS/fix_neigh_history_kokkos.h +++ b/src/KOKKOS/fix_neigh_history_kokkos.h @@ -31,17 +31,17 @@ template class FixNeighHistoryKokkos : public FixNeighHistory { public: FixNeighHistoryKokkos(class LAMMPS *, int, char **); - ~FixNeighHistoryKokkos(); + ~FixNeighHistoryKokkos() override; - void init(); - void pre_exchange(); - void setup_post_neighbor(); - virtual void post_neighbor(); - double memory_usage(); - void grow_arrays(int); - void copy_arrays(int, int, int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); + void init() override; + void pre_exchange() override; + void setup_post_neighbor() override; + void post_neighbor() override; + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; KOKKOS_INLINE_FUNCTION void zero_partner_count_item(const int &i) const; diff --git a/src/KOKKOS/fix_nh_kokkos.h b/src/KOKKOS/fix_nh_kokkos.h index 00f0b1f769..6155ba2dd3 100644 --- a/src/KOKKOS/fix_nh_kokkos.h +++ b/src/KOKKOS/fix_nh_kokkos.h @@ -36,12 +36,12 @@ class FixNHKokkos : public FixNH { typedef DeviceType device_type; FixNHKokkos(class LAMMPS *, int, char **); - virtual ~FixNHKokkos(); - virtual void init(); - virtual void setup(int); - virtual void initial_integrate(int); - virtual void final_integrate(); - virtual void pre_exchange(); + ~FixNHKokkos() override; + void init() override; + void setup(int) override; + void initial_integrate(int) override; + void final_integrate() override; + void pre_exchange() override; template KOKKOS_INLINE_FUNCTION @@ -58,12 +58,12 @@ class FixNHKokkos : public FixNH { void operator()(TagFixNH_nh_v_temp, const int&) const; protected: - virtual void remap(); + void remap() override; - virtual void nve_x(); // may be overwritten by child classes - virtual void nve_v(); - virtual void nh_v_press(); - virtual void nh_v_temp(); + void nve_x() override; // may be overwritten by child classes + void nve_v() override; + void nh_v_press() override; + void nh_v_temp() override; F_FLOAT factor[3]; diff --git a/src/KOKKOS/fix_nph_kokkos.h b/src/KOKKOS/fix_nph_kokkos.h index 8d91930c32..06e689e3c8 100644 --- a/src/KOKKOS/fix_nph_kokkos.h +++ b/src/KOKKOS/fix_nph_kokkos.h @@ -31,7 +31,6 @@ template class FixNPHKokkos : public FixNHKokkos { public: FixNPHKokkos(class LAMMPS *, int, char **); - ~FixNPHKokkos() {} }; } diff --git a/src/KOKKOS/fix_npt_kokkos.h b/src/KOKKOS/fix_npt_kokkos.h index b70e130c35..8cd50b8a54 100644 --- a/src/KOKKOS/fix_npt_kokkos.h +++ b/src/KOKKOS/fix_npt_kokkos.h @@ -31,7 +31,6 @@ template class FixNPTKokkos : public FixNHKokkos { public: FixNPTKokkos(class LAMMPS *, int, char **); - ~FixNPTKokkos() {} }; } diff --git a/src/KOKKOS/fix_nve_kokkos.h b/src/KOKKOS/fix_nve_kokkos.h index 8d2aefb694..fddfcd2bba 100644 --- a/src/KOKKOS/fix_nve_kokkos.h +++ b/src/KOKKOS/fix_nve_kokkos.h @@ -41,11 +41,11 @@ template class FixNVEKokkos : public FixNVE { public: FixNVEKokkos(class LAMMPS *, int, char **); - ~FixNVEKokkos() {} + void cleanup_copy(); - void init(); - void initial_integrate(int); - void final_integrate(); + void init() override; + void initial_integrate(int) override; + void final_integrate() override; KOKKOS_INLINE_FUNCTION void initial_integrate_item(int) const; diff --git a/src/KOKKOS/fix_nve_sphere_kokkos.h b/src/KOKKOS/fix_nve_sphere_kokkos.h index f3e3df13d4..2f85fea1b9 100644 --- a/src/KOKKOS/fix_nve_sphere_kokkos.h +++ b/src/KOKKOS/fix_nve_sphere_kokkos.h @@ -32,11 +32,11 @@ template class FixNVESphereKokkos : public FixNVESphere { public: FixNVESphereKokkos(class LAMMPS *, int, char **); - virtual ~FixNVESphereKokkos() {} + void cleanup_copy(); - void init(); - void initial_integrate(int); - void final_integrate(); + void init() override; + void initial_integrate(int) override; + void final_integrate() override; KOKKOS_INLINE_FUNCTION void initial_integrate_item(const int i) const; diff --git a/src/KOKKOS/fix_nvt_kokkos.h b/src/KOKKOS/fix_nvt_kokkos.h index 054a083034..72e12ea42f 100644 --- a/src/KOKKOS/fix_nvt_kokkos.h +++ b/src/KOKKOS/fix_nvt_kokkos.h @@ -31,7 +31,6 @@ template class FixNVTKokkos : public FixNHKokkos { public: FixNVTKokkos(class LAMMPS *, int, char **); - ~FixNVTKokkos() {} }; } diff --git a/src/KOKKOS/fix_nvt_sllod_kokkos.h b/src/KOKKOS/fix_nvt_sllod_kokkos.h index 84e57ab2c3..ebac7b1563 100644 --- a/src/KOKKOS/fix_nvt_sllod_kokkos.h +++ b/src/KOKKOS/fix_nvt_sllod_kokkos.h @@ -39,8 +39,8 @@ class FixNVTSllodKokkos : public FixNHKokkos { typedef ArrayTypes AT; FixNVTSllodKokkos(class LAMMPS *, int, char **); - ~FixNVTSllodKokkos() {} - void init(); + + void init() override; KOKKOS_INLINE_FUNCTION void operator()(TagFixNVTSllod_temp1, const int& i) const; @@ -51,7 +51,7 @@ class FixNVTSllodKokkos : public FixNHKokkos { private: int nondeformbias; - void nh_v_temp(); + void nh_v_temp() override; protected: typename AT::t_x_array x; diff --git a/src/KOKKOS/fix_property_atom_kokkos.h b/src/KOKKOS/fix_property_atom_kokkos.h index 7f3e5758b1..a90f672c8f 100644 --- a/src/KOKKOS/fix_property_atom_kokkos.h +++ b/src/KOKKOS/fix_property_atom_kokkos.h @@ -28,9 +28,8 @@ namespace LAMMPS_NS { class FixPropertyAtomKokkos : public FixPropertyAtom { public: FixPropertyAtomKokkos(class LAMMPS *, int, char **); - virtual ~FixPropertyAtomKokkos() {} - void grow_arrays(int); + void grow_arrays(int) override; }; } diff --git a/src/KOKKOS/fix_qeq_reaxff_kokkos.h b/src/KOKKOS/fix_qeq_reaxff_kokkos.h index 3256e56aef..85cc14d617 100644 --- a/src/KOKKOS/fix_qeq_reaxff_kokkos.h +++ b/src/KOKKOS/fix_qeq_reaxff_kokkos.h @@ -47,12 +47,12 @@ class FixQEqReaxFFKokkos : public FixQEqReaxFF, public KokkosBase { typedef DeviceType device_type; typedef ArrayTypes AT; FixQEqReaxFFKokkos(class LAMMPS *, int, char **); - ~FixQEqReaxFFKokkos(); + ~FixQEqReaxFFKokkos() override; void cleanup_copy(); - void init(); - void setup_pre_force(int); - void pre_force(int); + void init() override; + void setup_pre_force(int) override; + void pre_force(int) override; KOKKOS_INLINE_FUNCTION void num_neigh_item(int, int&) const; @@ -158,13 +158,13 @@ class FixQEqReaxFFKokkos : public FixQEqReaxFF, public KokkosBase { }; int pack_forward_comm_fix_kokkos(int, DAT::tdual_int_2d, int, DAT::tdual_xfloat_1d&, - int, int *); - void unpack_forward_comm_fix_kokkos(int, int, DAT::tdual_xfloat_1d&); - virtual int pack_forward_comm(int, int *, double *, int, int *); - virtual void unpack_forward_comm(int, int, double *); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); - double memory_usage(); + int, int *) override; + void unpack_forward_comm_fix_kokkos(int, int, DAT::tdual_xfloat_1d&) override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; + double memory_usage() override; private: int inum,ignum; @@ -226,7 +226,7 @@ class FixQEqReaxFFKokkos : public FixQEqReaxFF, public KokkosBase { void init_shielding_k(); void init_hist(); - void allocate_matrix(); + void allocate_matrix() override; void allocate_array(); int cg_solve1(); int cg_solve2(); @@ -237,11 +237,11 @@ class FixQEqReaxFFKokkos : public FixQEqReaxFF, public KokkosBase { int count, isuccess; double alpha, beta, delta, cutsq; - void grow_arrays(int); - void copy_arrays(int, int, int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); - void get_chi_field(); + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + void get_chi_field() override; }; template diff --git a/src/KOKKOS/fix_reaxff_bonds_kokkos.h b/src/KOKKOS/fix_reaxff_bonds_kokkos.h index b161f67ced..3d9aa7d3d9 100644 --- a/src/KOKKOS/fix_reaxff_bonds_kokkos.h +++ b/src/KOKKOS/fix_reaxff_bonds_kokkos.h @@ -34,8 +34,9 @@ namespace LAMMPS_NS { class FixReaxFFBondsKokkos : public FixReaxFFBonds { public: FixReaxFFBondsKokkos(class LAMMPS *, int, char **); - virtual ~FixReaxFFBondsKokkos(); - void init(); + ~FixReaxFFBondsKokkos() override; + + void init() override; private: int nbuf; diff --git a/src/KOKKOS/fix_reaxff_species_kokkos.h b/src/KOKKOS/fix_reaxff_species_kokkos.h index 2f7d94cdad..7d463940da 100644 --- a/src/KOKKOS/fix_reaxff_species_kokkos.h +++ b/src/KOKKOS/fix_reaxff_species_kokkos.h @@ -35,8 +35,9 @@ namespace LAMMPS_NS { class FixReaxFFSpeciesKokkos : public FixReaxFFSpecies { public: FixReaxFFSpeciesKokkos(class LAMMPS *, int, char **); - virtual ~FixReaxFFSpeciesKokkos(); - void init(); + ~FixReaxFFSpeciesKokkos() override; + + void init() override; private: void FindMolecule(); diff --git a/src/KOKKOS/fix_rx_kokkos.h b/src/KOKKOS/fix_rx_kokkos.h index 61e4a05946..602cb67dbc 100644 --- a/src/KOKKOS/fix_rx_kokkos.h +++ b/src/KOKKOS/fix_rx_kokkos.h @@ -78,12 +78,12 @@ class FixRxKokkos : public FixRX { typedef ArrayTypes AT; FixRxKokkos(class LAMMPS *, int, char **); - virtual ~FixRxKokkos(); - virtual void init(); - void init_list(int, class NeighList *); - void post_constructor(); - virtual void setup_pre_force(int); - virtual void pre_force(int); + ~FixRxKokkos() override; + void init() override; + void init_list(int, class NeighList *) override; + void post_constructor() override; + void setup_pre_force(int) override; + void pre_force(int) override; // Define a value_type here for the reduction operator on CounterType. typedef CounterType value_type; @@ -263,10 +263,10 @@ class FixRxKokkos : public FixRX { template void computeLocalTemperature(); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); - int pack_forward_comm(int , int *, double *, int, int *); - void unpack_forward_comm(int , int , double *); + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; + int pack_forward_comm(int , int *, double *, int, int *) override; + void unpack_forward_comm(int , int , double *) override; //private: // replicate a few from FixRX int my_restartFlag; diff --git a/src/KOKKOS/fix_setforce_kokkos.h b/src/KOKKOS/fix_setforce_kokkos.h index e39ef82325..5260ae3421 100644 --- a/src/KOKKOS/fix_setforce_kokkos.h +++ b/src/KOKKOS/fix_setforce_kokkos.h @@ -63,9 +63,9 @@ class FixSetForceKokkos : public FixSetForce { typedef ArrayTypes AT; FixSetForceKokkos(class LAMMPS *, int, char **); - ~FixSetForceKokkos(); - void init(); - void post_force(int); + ~FixSetForceKokkos() override; + void init() override; + void post_force(int) override; KOKKOS_INLINE_FUNCTION void operator()(TagFixSetForceConstant, const int&, double_3&) const; diff --git a/src/KOKKOS/fix_shake_kokkos.h b/src/KOKKOS/fix_shake_kokkos.h index a9967f22ec..8adae5f0a3 100644 --- a/src/KOKKOS/fix_shake_kokkos.h +++ b/src/KOKKOS/fix_shake_kokkos.h @@ -49,31 +49,31 @@ class FixShakeKokkos : public FixShake, public KokkosBase { typedef ArrayTypes AT; FixShakeKokkos(class LAMMPS *, int, char **); - virtual ~FixShakeKokkos(); - void init(); - void pre_neighbor(); - void post_force(int); + ~FixShakeKokkos() override; + void init() override; + void pre_neighbor() override; + void post_force(int) override; - void grow_arrays(int); - void copy_arrays(int, int, int); - void set_arrays(int); - void update_arrays(int, int); - void set_molecule(int, tagint, int, double *, double *, double *); + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + void set_arrays(int) override; + void update_arrays(int, int) override; + void set_molecule(int, tagint, int, double *, double *, double *) override; - int pack_exchange(int, double *); - int unpack_exchange(int, double *); + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; int pack_forward_comm_fix_kokkos(int, DAT::tdual_int_2d, int, DAT::tdual_xfloat_1d&, - int, int *); - void unpack_forward_comm_fix_kokkos(int, int, DAT::tdual_xfloat_1d&); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); + int, int *) override; + void unpack_forward_comm_fix_kokkos(int, int, DAT::tdual_xfloat_1d&) override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; - void shake_end_of_step(int vflag); - void correct_coordinates(int vflag); + void shake_end_of_step(int vflag) override; + void correct_coordinates(int vflag) override; - int dof(int); + int dof(int) override; - void unconstrained_update(); + void unconstrained_update() override; template KOKKOS_INLINE_FUNCTION diff --git a/src/KOKKOS/fix_wall_lj93_kokkos.h b/src/KOKKOS/fix_wall_lj93_kokkos.h index e07789f378..b4b10a1e13 100644 --- a/src/KOKKOS/fix_wall_lj93_kokkos.h +++ b/src/KOKKOS/fix_wall_lj93_kokkos.h @@ -36,7 +36,7 @@ class FixWallLJ93Kokkos : public FixWallLJ93 { typedef double value_type[]; FixWallLJ93Kokkos(class LAMMPS *, int, char **); - void wall_particle(int, int, double); + void wall_particle(int, int, double) override; int m; diff --git a/src/KOKKOS/fix_wall_reflect_kokkos.h b/src/KOKKOS/fix_wall_reflect_kokkos.h index 3e068c06df..f4e6eee684 100644 --- a/src/KOKKOS/fix_wall_reflect_kokkos.h +++ b/src/KOKKOS/fix_wall_reflect_kokkos.h @@ -36,7 +36,7 @@ class FixWallReflectKokkos : public FixWallReflect { typedef DeviceType device_type; typedef ArrayTypes AT; FixWallReflectKokkos(class LAMMPS *, int, char **); - void post_integrate(); + void post_integrate() override; KOKKOS_INLINE_FUNCTION void operator()(TagFixWallReflectPostIntegrate, const int&) const; diff --git a/src/KSPACE/fix_tune_kspace.h b/src/KSPACE/fix_tune_kspace.h index 7affe49684..1acf4fcc80 100644 --- a/src/KSPACE/fix_tune_kspace.h +++ b/src/KSPACE/fix_tune_kspace.h @@ -27,10 +27,10 @@ namespace LAMMPS_NS { class FixTuneKspace : public Fix { public: FixTuneKspace(class LAMMPS *, int, char **); - ~FixTuneKspace() {} - int setmask(); - void init(); - void pre_exchange(); + + int setmask() override; + void init() override; + void pre_exchange() override; double get_timing_info(); void store_old_kspace_settings(); void update_pair_style(const std::string &, double); diff --git a/src/LATTE/fix_latte.h b/src/LATTE/fix_latte.h index 2797da3599..30a07c42a4 100644 --- a/src/LATTE/fix_latte.h +++ b/src/LATTE/fix_latte.h @@ -27,21 +27,21 @@ namespace LAMMPS_NS { class FixLatte : public Fix { public: FixLatte(class LAMMPS *, int, char **); - virtual ~FixLatte(); - int setmask(); - void init(); - void init_list(int, class NeighList *); - void setup(int); - void min_setup(int); - void setup_pre_reverse(int, int); - void initial_integrate(int); - void pre_reverse(int, int); - void post_force(int); - void min_post_force(int); - void final_integrate(); - void reset_dt(); - double compute_scalar(); - double memory_usage(); + ~FixLatte() override; + int setmask() override; + void init() override; + void init_list(int, class NeighList *) override; + void setup(int) override; + void min_setup(int) override; + void setup_pre_reverse(int, int) override; + void initial_integrate(int) override; + void pre_reverse(int, int) override; + void post_force(int) override; + void min_post_force(int) override; + void final_integrate() override; + void reset_dt() override; + double compute_scalar() override; + double memory_usage() override; protected: char *id_pe; diff --git a/src/MACHDYN/fix_smd_adjust_dt.h b/src/MACHDYN/fix_smd_adjust_dt.h index 41203cf472..24b642e603 100644 --- a/src/MACHDYN/fix_smd_adjust_dt.h +++ b/src/MACHDYN/fix_smd_adjust_dt.h @@ -38,15 +38,15 @@ namespace LAMMPS_NS { class FixSMDTlsphDtReset : public Fix { public: FixSMDTlsphDtReset(class LAMMPS *, int, char **); - ~FixSMDTlsphDtReset() {} - int setmask(); - void init(); - void setup(int); - void initial_integrate(int); - void end_of_step(); - double compute_scalar(); - void write_restart(FILE *); - void restart(char *); + + int setmask() override; + void init() override; + void setup(int) override; + void initial_integrate(int) override; + void end_of_step() override; + double compute_scalar() override; + void write_restart(FILE *) override; + void restart(char *) override; private: double safety_factor; diff --git a/src/MACHDYN/fix_smd_integrate_tlsph.h b/src/MACHDYN/fix_smd_integrate_tlsph.h index 582b4588a4..c2037ee606 100644 --- a/src/MACHDYN/fix_smd_integrate_tlsph.h +++ b/src/MACHDYN/fix_smd_integrate_tlsph.h @@ -41,12 +41,12 @@ class FixSMDIntegrateTlsph : public Fix { public: FixSMDIntegrateTlsph(class LAMMPS *, int, char **); - virtual ~FixSMDIntegrateTlsph() {} - int setmask(); - virtual void init(); - virtual void initial_integrate(int); - virtual void final_integrate(); - virtual void reset_dt(); + + int setmask() override; + void init() override; + void initial_integrate(int) override; + void final_integrate() override; + void reset_dt() override; protected: double dtv, dtf, vlimit, vlimitsq; diff --git a/src/MACHDYN/fix_smd_integrate_ulsph.h b/src/MACHDYN/fix_smd_integrate_ulsph.h index af75685a4b..cbba1f5135 100644 --- a/src/MACHDYN/fix_smd_integrate_ulsph.h +++ b/src/MACHDYN/fix_smd_integrate_ulsph.h @@ -38,11 +38,12 @@ namespace LAMMPS_NS { class FixSMDIntegrateUlsph : public Fix { public: FixSMDIntegrateUlsph(class LAMMPS *, int, char **); - int setmask(); - virtual void init(); - virtual void initial_integrate(int); - virtual void final_integrate(); - void reset_dt(); + + int setmask() override; + void init() override; + void initial_integrate(int) override; + void final_integrate() override; + void reset_dt() override; private: class NeighList *list; diff --git a/src/MACHDYN/fix_smd_move_triangulated_surface.h b/src/MACHDYN/fix_smd_move_triangulated_surface.h index e64d2fc409..4ffc3dcc0f 100644 --- a/src/MACHDYN/fix_smd_move_triangulated_surface.h +++ b/src/MACHDYN/fix_smd_move_triangulated_surface.h @@ -39,13 +39,13 @@ namespace LAMMPS_NS { class FixSMDMoveTriSurf : public Fix { public: FixSMDMoveTriSurf(class LAMMPS *, int, char **); - ~FixSMDMoveTriSurf() = default; - int setmask(); - virtual void init(); - virtual void initial_integrate(int); - void reset_dt(); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); + + int setmask() override; + void init() override; + void initial_integrate(int) override; + void reset_dt() override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; protected: double dtv; diff --git a/src/MACHDYN/fix_smd_setvel.h b/src/MACHDYN/fix_smd_setvel.h index 1e91a8d602..30071d0875 100644 --- a/src/MACHDYN/fix_smd_setvel.h +++ b/src/MACHDYN/fix_smd_setvel.h @@ -38,15 +38,15 @@ namespace LAMMPS_NS { class FixSMDSetVel : public Fix { public: FixSMDSetVel(class LAMMPS *, int, char **); - ~FixSMDSetVel(); - int setmask(); - void init(); - void setup(int); - void min_setup(int); + ~FixSMDSetVel() override; + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; //void initial_integrate(int); - void post_force(int); - double compute_vector(int); - double memory_usage(); + void post_force(int) override; + double compute_vector(int) override; + double memory_usage() override; private: double xvalue, yvalue, zvalue; diff --git a/src/MACHDYN/fix_smd_tlsph_reference_configuration.h b/src/MACHDYN/fix_smd_tlsph_reference_configuration.h index 98108b8ffd..45ec11b6b5 100644 --- a/src/MACHDYN/fix_smd_tlsph_reference_configuration.h +++ b/src/MACHDYN/fix_smd_tlsph_reference_configuration.h @@ -43,23 +43,24 @@ class FixSMD_TLSPH_ReferenceConfiguration : public Fix { public: FixSMD_TLSPH_ReferenceConfiguration(class LAMMPS *, int, char **); - ~FixSMD_TLSPH_ReferenceConfiguration(); - int setmask(); - void init(); - void setup(int); - void pre_exchange(); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); + ~FixSMD_TLSPH_ReferenceConfiguration() override; - double memory_usage(); - void grow_arrays(int); - void copy_arrays(int, int, int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); - int pack_restart(int, double *); - void unpack_restart(int, int); - int size_restart(int); - int maxsize_restart(); + int setmask() override; + void init() override; + void setup(int) override; + void pre_exchange() override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + int pack_restart(int, double *) override; + void unpack_restart(int, int) override; + int size_restart(int) override; + int maxsize_restart() override; bool crack_exclude(int i, int j); bool get_line_intersection(int i, int j); diff --git a/src/MACHDYN/fix_smd_wall_surface.h b/src/MACHDYN/fix_smd_wall_surface.h index 74d7784eee..07d0436417 100644 --- a/src/MACHDYN/fix_smd_wall_surface.h +++ b/src/MACHDYN/fix_smd_wall_surface.h @@ -28,11 +28,12 @@ class FixSMDWallSurface : public Fix { public: FixSMDWallSurface(class LAMMPS *, int, char **); - virtual ~FixSMDWallSurface(); - int setmask(); - void init(); - void setup(int); - void min_setup(int); + ~FixSMDWallSurface() override; + + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; void read_triangles(int pass); diff --git a/src/MANIFOLD/fix_manifoldforce.h b/src/MANIFOLD/fix_manifoldforce.h index d58fe6001b..58822614a9 100644 --- a/src/MANIFOLD/fix_manifoldforce.h +++ b/src/MANIFOLD/fix_manifoldforce.h @@ -52,13 +52,13 @@ namespace user_manifold { class FixManifoldForce : public Fix { public: FixManifoldForce(class LAMMPS *, int, char **); - int setmask(); - void init(); - void setup(int); - void min_setup(int); - void post_force(int); - void post_force_respa(int, int, int); - void min_post_force(int); + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void min_post_force(int) override; private: user_manifold::manifold *ptr_m; diff --git a/src/MANIFOLD/fix_nve_manifold_rattle.h b/src/MANIFOLD/fix_nve_manifold_rattle.h index e2bf6b5639..91fb17aec1 100644 --- a/src/MANIFOLD/fix_nve_manifold_rattle.h +++ b/src/MANIFOLD/fix_nve_manifold_rattle.h @@ -66,18 +66,18 @@ class FixNVEManifoldRattle : public Fix { }; FixNVEManifoldRattle(LAMMPS *, int &, char **, int = 1); - virtual ~FixNVEManifoldRattle(); + ~FixNVEManifoldRattle() override; // All this stuff is interface, so you DO need to implement them. // Just delegate them to the workhorse classes. - virtual int setmask(); - virtual void initial_integrate(int); - virtual void final_integrate(); - virtual void init(); - virtual void reset_dt(); - virtual void end_of_step(); - virtual int dof(int); - virtual void setup(int) {} // Not needed for fixNVE but is for fixNVT - virtual double memory_usage(); + int setmask() override; + void initial_integrate(int) override; + void final_integrate() override; + void init() override; + void reset_dt() override; + void end_of_step() override; + int dof(int) override; + void setup(int) override {} // Not needed for fixNVE but is for fixNVT + double memory_usage() override; protected: int nevery, next_output; diff --git a/src/MANIFOLD/fix_nvt_manifold_rattle.h b/src/MANIFOLD/fix_nvt_manifold_rattle.h index d8439b1ad0..6a4d9d7b33 100644 --- a/src/MANIFOLD/fix_nvt_manifold_rattle.h +++ b/src/MANIFOLD/fix_nvt_manifold_rattle.h @@ -53,15 +53,15 @@ namespace LAMMPS_NS { class FixNVTManifoldRattle : public FixNVEManifoldRattle { public: FixNVTManifoldRattle(LAMMPS *, int, char **, int = 1); - virtual ~FixNVTManifoldRattle(); + ~FixNVTManifoldRattle() override; - virtual void initial_integrate(int); - virtual void final_integrate(); - virtual void init(); - virtual void reset_dt(); - virtual int setmask(); - virtual void setup(int); // Not needed for fixNVE but is for fixNVT - virtual double memory_usage(); + void initial_integrate(int) override; + void final_integrate() override; + void init() override; + void reset_dt() override; + int setmask() override; + void setup(int) override; // Not needed for fixNVE but is for fixNVT + double memory_usage() override; protected: void compute_temp_target(); diff --git a/src/MANIFOLD/manifold.h b/src/MANIFOLD/manifold.h index 92a5a02222..5cabe459b2 100644 --- a/src/MANIFOLD/manifold.h +++ b/src/MANIFOLD/manifold.h @@ -47,7 +47,7 @@ namespace user_manifold { class manifold : protected Pointers { public: manifold(class LAMMPS *lmp) : Pointers(lmp), params(nullptr) {} - virtual ~manifold() { delete[] params; } + ~manifold() override { delete[] params; } virtual double g(const double *) = 0; virtual void n(const double *, double *) = 0; diff --git a/src/MANYBODY/fix_qeq_comb.h b/src/MANYBODY/fix_qeq_comb.h index 320691b7b0..554d5c847b 100644 --- a/src/MANYBODY/fix_qeq_comb.h +++ b/src/MANYBODY/fix_qeq_comb.h @@ -27,17 +27,17 @@ namespace LAMMPS_NS { class FixQEQComb : public Fix { public: FixQEQComb(class LAMMPS *, int, char **); - virtual ~FixQEQComb(); - int setmask(); - virtual void init(); - void setup(int); - virtual void post_force(int); - void post_force_respa(int, int, int); - double memory_usage(); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); + ~FixQEQComb() override; + int setmask() override; + void init() override; + void setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + double memory_usage() override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; - void min_post_force(int); + void min_post_force(int) override; protected: int me, firstflag; diff --git a/src/MC/fix_atom_swap.h b/src/MC/fix_atom_swap.h index 2511fe6544..59145da84f 100644 --- a/src/MC/fix_atom_swap.h +++ b/src/MC/fix_atom_swap.h @@ -27,16 +27,16 @@ namespace LAMMPS_NS { class FixAtomSwap : public Fix { public: FixAtomSwap(class LAMMPS *, int, char **); - ~FixAtomSwap(); - int setmask(); - void init(); - void pre_exchange(); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - double compute_vector(int); - double memory_usage(); - void write_restart(FILE *); - void restart(char *); + ~FixAtomSwap() override; + int setmask() override; + void init() override; + void pre_exchange() override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + double compute_vector(int) override; + double memory_usage() override; + void write_restart(FILE *) override; + void restart(char *) override; private: int nevery, seed; diff --git a/src/MC/fix_bond_break.h b/src/MC/fix_bond_break.h index d6fdd8850b..f470adcce0 100644 --- a/src/MC/fix_bond_break.h +++ b/src/MC/fix_bond_break.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class FixBondBreak : public Fix { public: FixBondBreak(class LAMMPS *, int, char **); - ~FixBondBreak(); - int setmask(); - void init(); - void post_integrate(); - void post_integrate_respa(int, int); + ~FixBondBreak() override; + int setmask() override; + void init() override; + void post_integrate() override; + void post_integrate_respa(int, int) override; - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); - double compute_vector(int); - double memory_usage(); + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; + double compute_vector(int) override; + double memory_usage() override; private: int me, nprocs; diff --git a/src/MC/fix_bond_create.h b/src/MC/fix_bond_create.h index df29c91369..26505a5906 100644 --- a/src/MC/fix_bond_create.h +++ b/src/MC/fix_bond_create.h @@ -27,24 +27,24 @@ namespace LAMMPS_NS { class FixBondCreate : public Fix { public: FixBondCreate(class LAMMPS *, int, char **); - virtual ~FixBondCreate(); - int setmask(); - void init(); - void init_list(int, class NeighList *); - void setup(int); - void post_integrate(); - void post_integrate_respa(int, int); + ~FixBondCreate() override; + int setmask() override; + void init() override; + void init_list(int, class NeighList *) override; + void setup(int) override; + void post_integrate() override; + void post_integrate_respa(int, int) override; - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); - void grow_arrays(int); - void copy_arrays(int, int, int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); - double compute_vector(int); - double memory_usage(); + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + double compute_vector(int) override; + double memory_usage() override; protected: int me; diff --git a/src/MC/fix_bond_create_angle.h b/src/MC/fix_bond_create_angle.h index d7563f1d78..6c74f0e6d7 100644 --- a/src/MC/fix_bond_create_angle.h +++ b/src/MC/fix_bond_create_angle.h @@ -29,7 +29,7 @@ class FixBondCreateAngle : public FixBondCreate { FixBondCreateAngle(class LAMMPS *, int, char **); private: - int constrain(int, int, double, double); + int constrain(int, int, double, double) override; }; } // namespace LAMMPS_NS diff --git a/src/MC/fix_bond_swap.h b/src/MC/fix_bond_swap.h index e0691233f5..526d35ae22 100644 --- a/src/MC/fix_bond_swap.h +++ b/src/MC/fix_bond_swap.h @@ -27,14 +27,14 @@ namespace LAMMPS_NS { class FixBondSwap : public Fix { public: FixBondSwap(class LAMMPS *, int, char **); - ~FixBondSwap(); - int setmask(); - void init(); - void init_list(int, class NeighList *); - void post_integrate(); - int modify_param(int, char **); - double compute_vector(int); - double memory_usage(); + ~FixBondSwap() override; + int setmask() override; + void init() override; + void init_list(int, class NeighList *) override; + void post_integrate() override; + int modify_param(int, char **) override; + double compute_vector(int) override; + double memory_usage() override; private: double fraction, cutsq; diff --git a/src/MC/fix_charge_regulation.h b/src/MC/fix_charge_regulation.h index cf518baa03..f3856ed067 100644 --- a/src/MC/fix_charge_regulation.h +++ b/src/MC/fix_charge_regulation.h @@ -31,10 +31,10 @@ namespace LAMMPS_NS { class FixChargeRegulation : public Fix { public: FixChargeRegulation(class LAMMPS *, int, char **); - ~FixChargeRegulation(); - int setmask(); - void init(); - void pre_exchange(); + ~FixChargeRegulation() override; + int setmask() override; + void init() override; + void pre_exchange() override; void forward_acid(); void backward_acid(); void forward_base(); @@ -48,13 +48,13 @@ class FixChargeRegulation : public Fix { double energy_full(); int particle_number(int, double); int particle_number_xrd(int, double, double, double *); - double compute_vector(int n); + double compute_vector(int n) override; void assign_tags(); void options(int, char **); void setThermoTemperaturePointer(); - double memory_usage(); - void write_restart(FILE *); - void restart(char *); + double memory_usage() override; + void write_restart(FILE *) override; + void restart(char *) override; private: int exclusion_group, exclusion_group_bit; diff --git a/src/MC/fix_gcmc.h b/src/MC/fix_gcmc.h index 44b7f2078d..23e22e686a 100644 --- a/src/MC/fix_gcmc.h +++ b/src/MC/fix_gcmc.h @@ -27,10 +27,10 @@ namespace LAMMPS_NS { class FixGCMC : public Fix { public: FixGCMC(class LAMMPS *, int, char **); - ~FixGCMC(); - int setmask(); - void init(); - void pre_exchange(); + ~FixGCMC() override; + int setmask() override; + void init() override; + void pre_exchange() override; void attempt_atomic_translation(); void attempt_atomic_deletion(); void attempt_atomic_insertion(); @@ -52,10 +52,10 @@ class FixGCMC : public Fix { tagint pick_random_gas_molecule(); void toggle_intramolecular(int); void update_gas_atoms_list(); - double compute_vector(int); - double memory_usage(); - void write_restart(FILE *); - void restart(char *); + double compute_vector(int) override; + double memory_usage() override; + void write_restart(FILE *) override; + void restart(char *) override; void grow_molecule_arrays(int); private: diff --git a/src/MC/fix_mol_swap.h b/src/MC/fix_mol_swap.h index 3197cbd832..8962ea69a2 100644 --- a/src/MC/fix_mol_swap.h +++ b/src/MC/fix_mol_swap.h @@ -27,15 +27,15 @@ namespace LAMMPS_NS { class FixMolSwap : public Fix { public: FixMolSwap(class LAMMPS *, int, char **); - ~FixMolSwap(); - int setmask(); - void init(); - void pre_exchange(); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - double compute_vector(int); - void write_restart(FILE *); - void restart(char *); + ~FixMolSwap() override; + int setmask() override; + void init() override; + void pre_exchange() override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + double compute_vector(int) override; + void write_restart(FILE *) override; + void restart(char *) override; private: int nevery, ncycles, seed; diff --git a/src/MC/fix_tfmc.h b/src/MC/fix_tfmc.h index ea68d4fc6a..974cf2b4bf 100644 --- a/src/MC/fix_tfmc.h +++ b/src/MC/fix_tfmc.h @@ -27,10 +27,10 @@ namespace LAMMPS_NS { class FixTFMC : public Fix { public: FixTFMC(class LAMMPS *, int, char **); - ~FixTFMC(); - int setmask(); - void init(); - void initial_integrate(int); + ~FixTFMC() override; + int setmask() override; + void init() override; + void initial_integrate(int) override; private: double d_max; diff --git a/src/MC/fix_widom.h b/src/MC/fix_widom.h index 222cb32b3f..d2240fd6c8 100644 --- a/src/MC/fix_widom.h +++ b/src/MC/fix_widom.h @@ -27,10 +27,10 @@ namespace LAMMPS_NS { class FixWidom : public Fix { public: FixWidom(class LAMMPS *, int, char **); - ~FixWidom(); - int setmask(); - void init(); - void pre_exchange(); + ~FixWidom() override; + int setmask() override; + void init() override; + void pre_exchange() override; void attempt_atomic_insertion(); void attempt_molecule_insertion(); @@ -41,10 +41,10 @@ class FixWidom : public Fix { double molecule_energy(tagint); double energy_full(); void update_gas_atoms_list(); - double compute_vector(int); - double memory_usage(); - void write_restart(FILE *); - void restart(char *); + double compute_vector(int) override; + double memory_usage() override; + void write_restart(FILE *) override; + void restart(char *) override; void grow_molecule_arrays(int); private: diff --git a/src/MESSAGE/fix_client_md.h b/src/MESSAGE/fix_client_md.h index a9f9b531f1..2a0106fd0e 100644 --- a/src/MESSAGE/fix_client_md.h +++ b/src/MESSAGE/fix_client_md.h @@ -27,14 +27,14 @@ namespace LAMMPS_NS { class FixClientMD : public Fix { public: FixClientMD(class LAMMPS *, int, char **); - ~FixClientMD(); - int setmask(); - void init(); - void setup(int); - void min_setup(int); - void post_force(int); - void min_post_force(int); - double compute_scalar(); + ~FixClientMD() override; + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; + void min_post_force(int) override; + double compute_scalar() override; private: int maxatom, units, server_error; diff --git a/src/MISC/fix_accelerate_cos.h b/src/MISC/fix_accelerate_cos.h index cad4a94e2a..48d992b1a2 100644 --- a/src/MISC/fix_accelerate_cos.h +++ b/src/MISC/fix_accelerate_cos.h @@ -31,11 +31,11 @@ namespace LAMMPS_NS { class FixAccelerateCos : public Fix { public: FixAccelerateCos(class LAMMPS *, int, char **); - virtual ~FixAccelerateCos(){}; - int setmask(); - virtual void init(){}; - void setup(int); - virtual void post_force(int); + + int setmask() override; + void init() override{}; + void setup(int) override; + void post_force(int) override; protected: double acceleration; diff --git a/src/MISC/fix_imd.h b/src/MISC/fix_imd.h index 3c4e66f50a..314b629ac1 100644 --- a/src/MISC/fix_imd.h +++ b/src/MISC/fix_imd.h @@ -64,13 +64,13 @@ namespace LAMMPS_NS { class FixIMD : public Fix { public: FixIMD(class LAMMPS *, int, char **); - ~FixIMD(); - int setmask(); - void init(); - void setup(int); - void post_force(int); - void post_force_respa(int, int, int); - double memory_usage(); + ~FixIMD() override; + int setmask() override; + void init() override; + void setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + double memory_usage() override; protected: int imd_port; diff --git a/src/MISC/fix_ipi.h b/src/MISC/fix_ipi.h index 443dbc8780..07d1c729a9 100644 --- a/src/MISC/fix_ipi.h +++ b/src/MISC/fix_ipi.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class FixIPI : public Fix { public: FixIPI(class LAMMPS *, int, char **); - virtual ~FixIPI(); - int setmask(); - virtual void init(); - virtual void initial_integrate(int); - virtual void final_integrate(); + ~FixIPI() override; + int setmask() override; + void init() override; + void initial_integrate(int) override; + void final_integrate() override; protected: char *host; diff --git a/src/MISC/fix_pair_tracker.h b/src/MISC/fix_pair_tracker.h index 7c2e3ff322..a9743b3b50 100644 --- a/src/MISC/fix_pair_tracker.h +++ b/src/MISC/fix_pair_tracker.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class FixPairTracker : public Fix { public: FixPairTracker(class LAMMPS *, int, char **); - ~FixPairTracker(); - int setmask(); - void init(); - void post_force(int); - double memory_usage(); + ~FixPairTracker() override; + int setmask() override; + void init() override; + void post_force(int) override; + double memory_usage() override; void lost_contact(int, int, double, double, double, double); private: diff --git a/src/MISC/fix_srp.h b/src/MISC/fix_srp.h index 2167a27340..e6049de893 100644 --- a/src/MISC/fix_srp.h +++ b/src/MISC/fix_srp.h @@ -27,30 +27,30 @@ namespace LAMMPS_NS { class FixSRP : public Fix { public: FixSRP(class LAMMPS *, int, char **); - ~FixSRP(); - int setmask(); - void init(); + ~FixSRP() override; + int setmask() override; + void init() override; - void pre_exchange(); - void setup_pre_force(int); + void pre_exchange() override; + void setup_pre_force(int) override; - double memory_usage(); - void grow_arrays(int); - void copy_arrays(int, int, int); - void set_arrays(int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); - int pack_border(int, int *, double *); - int unpack_border(int, int, double *); - void post_run(); + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + void set_arrays(int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + int pack_border(int, int *, double *) override; + int unpack_border(int, int, double *) override; + void post_run() override; - int pack_restart(int, double *); - void unpack_restart(int, int); - int maxsize_restart(); - int size_restart(int); - void write_restart(FILE *); - void restart(char *); - int modify_param(int, char **); + int pack_restart(int, double *) override; + void unpack_restart(int, int) override; + int maxsize_restart() override; + int size_restart(int) override; + void write_restart(FILE *) override; + void restart(char *) override; + int modify_param(int, char **) override; double **array; diff --git a/src/MOLECULE/fix_cmap.h b/src/MOLECULE/fix_cmap.h index ae70f9faad..944c311001 100644 --- a/src/MOLECULE/fix_cmap.h +++ b/src/MOLECULE/fix_cmap.h @@ -26,43 +26,43 @@ namespace LAMMPS_NS { class FixCMAP : public Fix { public: FixCMAP(class LAMMPS *, int, char **); - ~FixCMAP(); - int setmask(); - void init(); - void setup(int); - void setup_pre_neighbor(); - void setup_pre_reverse(int, int); - void min_setup(int); - void pre_neighbor(); - void pre_reverse(int, int); - void post_force(int); - void post_force_respa(int, int, int); - void min_post_force(int); - double compute_scalar(); + ~FixCMAP() override; + int setmask() override; + void init() override; + void setup(int) override; + void setup_pre_neighbor() override; + void setup_pre_reverse(int, int) override; + void min_setup(int) override; + void pre_neighbor() override; + void pre_reverse(int, int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void min_post_force(int) override; + double compute_scalar() override; - void read_data_header(char *); - void read_data_section(char *, int, char *, tagint); - bigint read_data_skip_lines(char *); - void write_data_header(FILE *, int); - void write_data_section_size(int, int &, int &); - void write_data_section_pack(int, double **); - void write_data_section_keyword(int, FILE *); - void write_data_section(int, FILE *, int, double **, int); + void read_data_header(char *) override; + void read_data_section(char *, int, char *, tagint) override; + bigint read_data_skip_lines(char *) override; + void write_data_header(FILE *, int) override; + void write_data_section_size(int, int &, int &) override; + void write_data_section_pack(int, double **) override; + void write_data_section_keyword(int, FILE *) override; + void write_data_section(int, FILE *, int, double **, int) override; - void write_restart(FILE *); - void restart(char *); - int pack_restart(int, double *); - void unpack_restart(int, int); - int size_restart(int); - int maxsize_restart(); + void write_restart(FILE *) override; + void restart(char *) override; + int pack_restart(int, double *) override; + void unpack_restart(int, int) override; + int size_restart(int) override; + int maxsize_restart() override; - void grow_arrays(int); - void copy_arrays(int, int, int); - void set_arrays(int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + void set_arrays(int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; - double memory_usage(); + double memory_usage() override; private: int nprocs, me; diff --git a/src/OPENMP/fix_gravity_omp.h b/src/OPENMP/fix_gravity_omp.h index da7187202a..688e92d466 100644 --- a/src/OPENMP/fix_gravity_omp.h +++ b/src/OPENMP/fix_gravity_omp.h @@ -28,8 +28,8 @@ class FixGravityOMP : public FixGravity { public: FixGravityOMP(class LAMMPS *, int, char **); - virtual void post_force(int); - virtual void post_force_respa(int, int, int); + void post_force(int) override; + void post_force_respa(int, int, int) override; }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/fix_neigh_history_omp.h b/src/OPENMP/fix_neigh_history_omp.h index d373cff7c9..f2ba38850b 100644 --- a/src/OPENMP/fix_neigh_history_omp.h +++ b/src/OPENMP/fix_neigh_history_omp.h @@ -28,10 +28,10 @@ class FixNeighHistoryOMP : public FixNeighHistory { public: FixNeighHistoryOMP(class LAMMPS *lmp, int narg, char **argv); - void pre_exchange_onesided(); - void pre_exchange_newton(); - void pre_exchange_no_newton(); - void post_neighbor(); + void pre_exchange_onesided() override; + void pre_exchange_newton() override; + void pre_exchange_no_newton() override; + void post_neighbor() override; }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/fix_nh_asphere_omp.h b/src/OPENMP/fix_nh_asphere_omp.h index d6332c2b03..fd39e3dce6 100644 --- a/src/OPENMP/fix_nh_asphere_omp.h +++ b/src/OPENMP/fix_nh_asphere_omp.h @@ -21,16 +21,16 @@ namespace LAMMPS_NS { class FixNHAsphereOMP : public FixNHOMP { public: FixNHAsphereOMP(class LAMMPS *, int, char **); - virtual ~FixNHAsphereOMP() {} - virtual void init(); + + void init() override; protected: double dtq; class AtomVecEllipsoid *avec; - virtual void nve_v(); - virtual void nve_x(); - virtual void nh_v_temp(); + void nve_v() override; + void nve_x() override; + void nh_v_temp() override; }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/fix_nh_omp.h b/src/OPENMP/fix_nh_omp.h index 2c16b18987..f95bcf3e54 100644 --- a/src/OPENMP/fix_nh_omp.h +++ b/src/OPENMP/fix_nh_omp.h @@ -21,14 +21,13 @@ namespace LAMMPS_NS { class FixNHOMP : public FixNH { public: FixNHOMP(class LAMMPS *lmp, int narg, char **args) : FixNH(lmp, narg, args){}; - virtual ~FixNHOMP(){}; protected: - virtual void remap(); - virtual void nh_v_press(); - virtual void nh_v_temp(); - virtual void nve_v(); - virtual void nve_x(); + void remap() override; + void nh_v_press() override; + void nh_v_temp() override; + void nve_v() override; + void nve_x() override; }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/fix_nh_sphere_omp.h b/src/OPENMP/fix_nh_sphere_omp.h index bbbae69bfa..3cc716450a 100644 --- a/src/OPENMP/fix_nh_sphere_omp.h +++ b/src/OPENMP/fix_nh_sphere_omp.h @@ -21,12 +21,12 @@ namespace LAMMPS_NS { class FixNHSphereOMP : public FixNHOMP { public: FixNHSphereOMP(class LAMMPS *, int, char **); - virtual ~FixNHSphereOMP() {} - virtual void init(); + + void init() override; protected: - virtual void nve_v(); - virtual void nh_v_temp(); + void nve_v() override; + void nh_v_temp() override; }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/fix_nph_asphere_omp.h b/src/OPENMP/fix_nph_asphere_omp.h index 7cf5e817db..e2b297e26f 100644 --- a/src/OPENMP/fix_nph_asphere_omp.h +++ b/src/OPENMP/fix_nph_asphere_omp.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixNPHAsphereOMP : public FixNHAsphereOMP { public: FixNPHAsphereOMP(class LAMMPS *, int, char **); - virtual ~FixNPHAsphereOMP() {} }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/fix_nph_omp.h b/src/OPENMP/fix_nph_omp.h index 3ad206c688..f494a0e487 100644 --- a/src/OPENMP/fix_nph_omp.h +++ b/src/OPENMP/fix_nph_omp.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixNPHOMP : public FixNHOMP { public: FixNPHOMP(class LAMMPS *, int, char **); - ~FixNPHOMP() {} }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/fix_nph_sphere_omp.h b/src/OPENMP/fix_nph_sphere_omp.h index fec448374f..26ec718abb 100644 --- a/src/OPENMP/fix_nph_sphere_omp.h +++ b/src/OPENMP/fix_nph_sphere_omp.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixNPHSphereOMP : public FixNHSphereOMP { public: FixNPHSphereOMP(class LAMMPS *, int, char **); - virtual ~FixNPHSphereOMP() {} }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/fix_npt_asphere_omp.h b/src/OPENMP/fix_npt_asphere_omp.h index 17827c941a..e125d7d707 100644 --- a/src/OPENMP/fix_npt_asphere_omp.h +++ b/src/OPENMP/fix_npt_asphere_omp.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixNPTAsphereOMP : public FixNHAsphereOMP { public: FixNPTAsphereOMP(class LAMMPS *, int, char **); - virtual ~FixNPTAsphereOMP() {} }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/fix_npt_omp.h b/src/OPENMP/fix_npt_omp.h index e6abd4a71c..a726f12313 100644 --- a/src/OPENMP/fix_npt_omp.h +++ b/src/OPENMP/fix_npt_omp.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixNPTOMP : public FixNHOMP { public: FixNPTOMP(class LAMMPS *, int, char **); - ~FixNPTOMP() {} }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/fix_npt_sphere_omp.h b/src/OPENMP/fix_npt_sphere_omp.h index bdd7438418..d806b9ccaf 100644 --- a/src/OPENMP/fix_npt_sphere_omp.h +++ b/src/OPENMP/fix_npt_sphere_omp.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixNPTSphereOMP : public FixNHSphereOMP { public: FixNPTSphereOMP(class LAMMPS *, int, char **); - virtual ~FixNPTSphereOMP() {} }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/fix_nve_omp.h b/src/OPENMP/fix_nve_omp.h index 8ad347a00e..47722f0078 100644 --- a/src/OPENMP/fix_nve_omp.h +++ b/src/OPENMP/fix_nve_omp.h @@ -27,9 +27,9 @@ namespace LAMMPS_NS { class FixNVEOMP : public FixNVE { public: FixNVEOMP(class LAMMPS *, int, char **); - virtual ~FixNVEOMP() {} - virtual void initial_integrate(int); - virtual void final_integrate(); + + void initial_integrate(int) override; + void final_integrate() override; }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/fix_nve_sphere_omp.h b/src/OPENMP/fix_nve_sphere_omp.h index 60b3bd4e49..647668c440 100644 --- a/src/OPENMP/fix_nve_sphere_omp.h +++ b/src/OPENMP/fix_nve_sphere_omp.h @@ -28,8 +28,8 @@ class FixNVESphereOMP : public FixNVESphere { public: FixNVESphereOMP(class LAMMPS *lmp, int narg, char **arg) : FixNVESphere(lmp, narg, arg){}; - virtual void initial_integrate(int); - virtual void final_integrate(); + void initial_integrate(int) override; + void final_integrate() override; }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/fix_nvt_asphere_omp.h b/src/OPENMP/fix_nvt_asphere_omp.h index 1e1e5c3198..78104e9800 100644 --- a/src/OPENMP/fix_nvt_asphere_omp.h +++ b/src/OPENMP/fix_nvt_asphere_omp.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixNVTAsphereOMP : public FixNHAsphereOMP { public: FixNVTAsphereOMP(class LAMMPS *, int, char **); - virtual ~FixNVTAsphereOMP() {} }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/fix_nvt_omp.h b/src/OPENMP/fix_nvt_omp.h index 94f05d0bcd..4b67a52c3d 100644 --- a/src/OPENMP/fix_nvt_omp.h +++ b/src/OPENMP/fix_nvt_omp.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixNVTOMP : public FixNHOMP { public: FixNVTOMP(class LAMMPS *, int, char **); - ~FixNVTOMP() {} }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/fix_nvt_sllod_omp.h b/src/OPENMP/fix_nvt_sllod_omp.h index b24c698c7a..d93941a9a9 100644 --- a/src/OPENMP/fix_nvt_sllod_omp.h +++ b/src/OPENMP/fix_nvt_sllod_omp.h @@ -27,13 +27,12 @@ namespace LAMMPS_NS { class FixNVTSllodOMP : public FixNHOMP { public: FixNVTSllodOMP(class LAMMPS *, int, char **); - virtual ~FixNVTSllodOMP() {} - virtual void init(); + void init() override; private: int nondeformbias; - virtual void nh_v_temp(); + void nh_v_temp() override; }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/fix_nvt_sphere_omp.h b/src/OPENMP/fix_nvt_sphere_omp.h index 08f93740eb..d436017507 100644 --- a/src/OPENMP/fix_nvt_sphere_omp.h +++ b/src/OPENMP/fix_nvt_sphere_omp.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixNVTSphereOMP : public FixNHSphereOMP { public: FixNVTSphereOMP(class LAMMPS *, int, char **); - virtual ~FixNVTSphereOMP() {} }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/fix_omp.h b/src/OPENMP/fix_omp.h index 3f62cb7876..af57abc85c 100644 --- a/src/OPENMP/fix_omp.h +++ b/src/OPENMP/fix_omp.h @@ -32,20 +32,20 @@ class FixOMP : public Fix { public: FixOMP(class LAMMPS *, int, char **); - virtual ~FixOMP(); - virtual int setmask(); - virtual void init(); - virtual void setup(int); - virtual void min_setup(int flag) { setup(flag); } - virtual void pre_force(int); + ~FixOMP() override; + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int flag) override { setup(flag); } + void pre_force(int) override; - virtual void setup_pre_force(int vflag) { pre_force(vflag); } + void setup_pre_force(int vflag) override { pre_force(vflag); } virtual void min_setup_pre_force(int vflag) { pre_force(vflag); } - virtual void min_pre_force(int vflag) { pre_force(vflag); } - virtual void setup_pre_force_respa(int vflag, int) { pre_force(vflag); } - virtual void pre_force_respa(int vflag, int, int) { pre_force(vflag); } + void min_pre_force(int vflag) override { pre_force(vflag); } + void setup_pre_force_respa(int vflag, int) override { pre_force(vflag); } + void pre_force_respa(int vflag, int, int) override { pre_force(vflag); } - virtual double memory_usage(); + double memory_usage() override; protected: ThrData **thr; diff --git a/src/OPENMP/fix_peri_neigh_omp.h b/src/OPENMP/fix_peri_neigh_omp.h index c7d4a6be57..1c52132b1c 100644 --- a/src/OPENMP/fix_peri_neigh_omp.h +++ b/src/OPENMP/fix_peri_neigh_omp.h @@ -28,7 +28,7 @@ class FixPeriNeighOMP : public FixPeriNeigh { public: FixPeriNeighOMP(class LAMMPS *lmp, int narg, char **argv) : FixPeriNeigh(lmp, narg, argv){}; - virtual void init(); + void init() override; }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/fix_qeq_comb_omp.h b/src/OPENMP/fix_qeq_comb_omp.h index e7de0d4fa5..2f7188b5e9 100644 --- a/src/OPENMP/fix_qeq_comb_omp.h +++ b/src/OPENMP/fix_qeq_comb_omp.h @@ -22,8 +22,8 @@ namespace LAMMPS_NS { class FixQEQCombOMP : public FixQEQComb { public: FixQEQCombOMP(class LAMMPS *, int, char **); - virtual void init(); - virtual void post_force(int); + void init() override; + void post_force(int) override; }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/fix_qeq_reaxff_omp.h b/src/OPENMP/fix_qeq_reaxff_omp.h index b99034edf0..20bcbdda29 100644 --- a/src/OPENMP/fix_qeq_reaxff_omp.h +++ b/src/OPENMP/fix_qeq_reaxff_omp.h @@ -29,11 +29,11 @@ class FixQEqReaxFFOMP : public FixQEqReaxFF { public: FixQEqReaxFFOMP(class LAMMPS *, int, char **); - ~FixQEqReaxFFOMP(); - virtual void init(); - virtual void init_storage(); - virtual void pre_force(int); - virtual void post_constructor(); + ~FixQEqReaxFFOMP() override; + void init() override; + void init_storage() override; + void pre_force(int) override; + void post_constructor() override; protected: double **b_temp; @@ -43,17 +43,17 @@ class FixQEqReaxFFOMP : public FixQEqReaxFF { double aspc_omega; double *aspc_b; - virtual void allocate_storage(); - virtual void deallocate_storage(); - virtual void init_matvec(); - virtual void compute_H(); + void allocate_storage() override; + void deallocate_storage() override; + void init_matvec() override; + void compute_H() override; - virtual int CG(double *, double *); - virtual void sparse_matvec(sparse_matrix *, double *, double *); - virtual void calculate_Q(); + int CG(double *, double *) override; + void sparse_matvec(sparse_matrix *, double *, double *) override; + void calculate_Q() override; - virtual void vector_sum(double *, double, double *, double, double *, int); - virtual void vector_add(double *, double, double *, int); + void vector_sum(double *, double, double *, double, double *, int) override; + void vector_add(double *, double, double *, int) override; // dual CG support virtual int dual_CG(double *, double *, double *, double *); diff --git a/src/OPENMP/fix_rigid_nh_omp.h b/src/OPENMP/fix_rigid_nh_omp.h index d923257e2f..ce6309213b 100644 --- a/src/OPENMP/fix_rigid_nh_omp.h +++ b/src/OPENMP/fix_rigid_nh_omp.h @@ -21,10 +21,9 @@ namespace LAMMPS_NS { class FixRigidNHOMP : public FixRigidNH { public: FixRigidNHOMP(class LAMMPS *lmp, int narg, char **args) : FixRigidNH(lmp, narg, args) {} - virtual ~FixRigidNHOMP() {} - virtual void initial_integrate(int); - virtual void final_integrate(); + void initial_integrate(int) override; + void final_integrate() override; virtual void remap(); protected: diff --git a/src/OPENMP/fix_rigid_nph_omp.h b/src/OPENMP/fix_rigid_nph_omp.h index e0ac1a2156..b02134df21 100644 --- a/src/OPENMP/fix_rigid_nph_omp.h +++ b/src/OPENMP/fix_rigid_nph_omp.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixRigidNPHOMP : public FixRigidNHOMP { public: FixRigidNPHOMP(class LAMMPS *, int, char **); - ~FixRigidNPHOMP() {} }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/fix_rigid_npt_omp.h b/src/OPENMP/fix_rigid_npt_omp.h index 9e6487fac7..8d329d097d 100644 --- a/src/OPENMP/fix_rigid_npt_omp.h +++ b/src/OPENMP/fix_rigid_npt_omp.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixRigidNPTOMP : public FixRigidNHOMP { public: FixRigidNPTOMP(class LAMMPS *, int, char **); - ~FixRigidNPTOMP() {} }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/fix_rigid_nve_omp.h b/src/OPENMP/fix_rigid_nve_omp.h index e3276b9974..a9c1dfeaf4 100644 --- a/src/OPENMP/fix_rigid_nve_omp.h +++ b/src/OPENMP/fix_rigid_nve_omp.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixRigidNVEOMP : public FixRigidNHOMP { public: FixRigidNVEOMP(class LAMMPS *, int, char **); - ~FixRigidNVEOMP() {} }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/fix_rigid_nvt_omp.h b/src/OPENMP/fix_rigid_nvt_omp.h index 06e71b7de5..f3ee9bcbbc 100644 --- a/src/OPENMP/fix_rigid_nvt_omp.h +++ b/src/OPENMP/fix_rigid_nvt_omp.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixRigidNVTOMP : public FixRigidNHOMP { public: FixRigidNVTOMP(class LAMMPS *, int, char **); - ~FixRigidNVTOMP() {} }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/fix_rigid_omp.h b/src/OPENMP/fix_rigid_omp.h index 8b7354642c..657ae681ec 100644 --- a/src/OPENMP/fix_rigid_omp.h +++ b/src/OPENMP/fix_rigid_omp.h @@ -27,10 +27,9 @@ namespace LAMMPS_NS { class FixRigidOMP : public FixRigid { public: FixRigidOMP(class LAMMPS *lmp, int narg, char **args) : FixRigid(lmp, narg, args) {} - ~FixRigidOMP() {} - virtual void initial_integrate(int); - virtual void final_integrate(); + void initial_integrate(int) override; + void final_integrate() override; protected: virtual void compute_forces_and_torques(); diff --git a/src/OPENMP/fix_rigid_small_omp.h b/src/OPENMP/fix_rigid_small_omp.h index 82b0d1b8cd..f318f6cf21 100644 --- a/src/OPENMP/fix_rigid_small_omp.h +++ b/src/OPENMP/fix_rigid_small_omp.h @@ -31,10 +31,9 @@ class FixRigidSmallOMP : public FixRigidSmall { { centroidstressflag = CENTROID_NOTAVAIL; } - virtual ~FixRigidSmallOMP(){}; - virtual void initial_integrate(int); - virtual void final_integrate(); + void initial_integrate(int) override; + void final_integrate() override; protected: virtual void compute_forces_and_torques(); diff --git a/src/ORIENT/fix_orient_bcc.h b/src/ORIENT/fix_orient_bcc.h index 7483cd457f..4a58ae0130 100644 --- a/src/ORIENT/fix_orient_bcc.h +++ b/src/ORIENT/fix_orient_bcc.h @@ -44,17 +44,17 @@ class FixOrientBCC : public Fix { }; FixOrientBCC(class LAMMPS *, int, char **); - ~FixOrientBCC(); - int setmask(); - void init(); - void init_list(int, class NeighList *); - void setup(int); - void post_force(int); - void post_force_respa(int, int, int); - double compute_scalar(); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - double memory_usage(); + ~FixOrientBCC() override; + int setmask() override; + void init() override; + void init_list(int, class NeighList *) override; + void setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + double compute_scalar() override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + double memory_usage() override; private: int me; diff --git a/src/ORIENT/fix_orient_eco.h b/src/ORIENT/fix_orient_eco.h index d8e593a0ea..ca9fa31d7d 100644 --- a/src/ORIENT/fix_orient_eco.h +++ b/src/ORIENT/fix_orient_eco.h @@ -27,17 +27,17 @@ namespace LAMMPS_NS { class FixOrientECO : public Fix { public: FixOrientECO(class LAMMPS *, int, char **); - ~FixOrientECO(); - int setmask(); - void init(); - void init_list(int, class NeighList *); - void setup(int); - void post_force(int); - void post_force_respa(int, int, int); - double compute_scalar(); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - double memory_usage(); + ~FixOrientECO() override; + int setmask() override; + void init() override; + void init_list(int, class NeighList *) override; + void setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + double compute_scalar() override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + double memory_usage() override; private: struct Nbr; // forward declaration. private struct for managing precomputed terms diff --git a/src/ORIENT/fix_orient_fcc.h b/src/ORIENT/fix_orient_fcc.h index 0c4c2433e5..a38c57daa1 100644 --- a/src/ORIENT/fix_orient_fcc.h +++ b/src/ORIENT/fix_orient_fcc.h @@ -44,17 +44,17 @@ class FixOrientFCC : public Fix { }; FixOrientFCC(class LAMMPS *, int, char **); - ~FixOrientFCC(); - int setmask(); - void init(); - void init_list(int, class NeighList *); - void setup(int); - void post_force(int); - void post_force_respa(int, int, int); - double compute_scalar(); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - double memory_usage(); + ~FixOrientFCC() override; + int setmask() override; + void init() override; + void init_list(int, class NeighList *) override; + void setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + double compute_scalar() override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + double memory_usage() override; private: int me; diff --git a/src/PERI/fix_peri_neigh.h b/src/PERI/fix_peri_neigh.h index bde8f3f2da..1ead6a0f97 100644 --- a/src/PERI/fix_peri_neigh.h +++ b/src/PERI/fix_peri_neigh.h @@ -37,26 +37,26 @@ class FixPeriNeigh : public Fix { public: FixPeriNeigh(class LAMMPS *, int, char **); - virtual ~FixPeriNeigh(); - int setmask(); - void init(); - void init_list(int, class NeighList *); - void setup(int); - void min_setup(int); + ~FixPeriNeigh() override; + int setmask() override; + void init() override; + void init_list(int, class NeighList *) override; + void setup(int) override; + void min_setup(int) override; - double memory_usage(); - void grow_arrays(int); - void copy_arrays(int, int, int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); - void write_restart(FILE *); - void restart(char *); - int pack_restart(int, double *); - void unpack_restart(int, int); - int size_restart(int); - int maxsize_restart(); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + void write_restart(FILE *) override; + void restart(char *) override; + int pack_restart(int, double *) override; + void unpack_restart(int, int) override; + int size_restart(int) override; + int maxsize_restart() override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; protected: int first; // flag for first time initialization diff --git a/src/PHONON/fix_phonon.h b/src/PHONON/fix_phonon.h index 0e3c251528..d61a9d2e03 100644 --- a/src/PHONON/fix_phonon.h +++ b/src/PHONON/fix_phonon.h @@ -49,15 +49,15 @@ namespace LAMMPS_NS { class FixPhonon : public Fix { public: FixPhonon(class LAMMPS *, int, char **); - ~FixPhonon(); + ~FixPhonon() override; - int setmask(); - void init(); - void setup(int); - void end_of_step(); - void post_run(); - double memory_usage(); - int modify_param(int, char **); + int setmask() override; + void init() override; + void setup(int) override; + void end_of_step() override; + void post_run() override; + double memory_usage() override; + int modify_param(int, char **) override; private: int me, nprocs; diff --git a/src/QEQ/fix_qeq.h b/src/QEQ/fix_qeq.h index bd25628508..cf1d40ae13 100644 --- a/src/QEQ/fix_qeq.h +++ b/src/QEQ/fix_qeq.h @@ -27,30 +27,30 @@ namespace LAMMPS_NS { class FixQEq : public Fix { public: FixQEq(class LAMMPS *, int, char **); - ~FixQEq(); - int setmask(); - void init_list(int, class NeighList *); - void setup_pre_force(int); - void setup_pre_force_respa(int, int); - void pre_force_respa(int, int, int); - void min_pre_force(int); + ~FixQEq() override; + int setmask() override; + void init_list(int, class NeighList *) override; + void setup_pre_force(int) override; + void setup_pre_force_respa(int, int) override; + void pre_force_respa(int, int, int) override; + void min_pre_force(int) override; - virtual double compute_scalar(); + double compute_scalar() override; // derived child classes must provide these functions - virtual void init(); - virtual void pre_force(int) = 0; + void init() override; + void pre_force(int) override = 0; - virtual int pack_forward_comm(int, int *, double *, int, int *); - virtual void unpack_forward_comm(int, int, double *); - virtual int pack_reverse_comm(int, int, double *); - virtual void unpack_reverse_comm(int, int *, double *); - void grow_arrays(int); - void copy_arrays(int, int, int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); - double memory_usage(); + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + double memory_usage() override; protected: int nevery; diff --git a/src/QEQ/fix_qeq_dynamic.h b/src/QEQ/fix_qeq_dynamic.h index 2ae4ea907b..3a28d10af3 100644 --- a/src/QEQ/fix_qeq_dynamic.h +++ b/src/QEQ/fix_qeq_dynamic.h @@ -27,14 +27,14 @@ namespace LAMMPS_NS { class FixQEqDynamic : public FixQEq { public: FixQEqDynamic(class LAMMPS *, int, char **); - ~FixQEqDynamic() {} - void init(); - void pre_force(int); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); + void init() override; + void pre_force(int) override; + + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; private: double compute_eneg(); diff --git a/src/QEQ/fix_qeq_fire.h b/src/QEQ/fix_qeq_fire.h index fb910129dc..f331100c15 100644 --- a/src/QEQ/fix_qeq_fire.h +++ b/src/QEQ/fix_qeq_fire.h @@ -27,14 +27,14 @@ namespace LAMMPS_NS { class FixQEqFire : public FixQEq { public: FixQEqFire(class LAMMPS *, int, char **); - ~FixQEqFire() {} - void init(); - void pre_force(int); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); + void init() override; + void pre_force(int) override; + + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; private: double compute_eneg(); diff --git a/src/QEQ/fix_qeq_point.h b/src/QEQ/fix_qeq_point.h index a680a9416d..2576c6c164 100644 --- a/src/QEQ/fix_qeq_point.h +++ b/src/QEQ/fix_qeq_point.h @@ -27,9 +27,9 @@ namespace LAMMPS_NS { class FixQEqPoint : public FixQEq { public: FixQEqPoint(class LAMMPS *, int, char **); - ~FixQEqPoint() {} - void init(); - void pre_force(int); + + void init() override; + void pre_force(int) override; private: void init_matvec(); diff --git a/src/QEQ/fix_qeq_shielded.h b/src/QEQ/fix_qeq_shielded.h index 4d8d3c1395..5a676370e1 100644 --- a/src/QEQ/fix_qeq_shielded.h +++ b/src/QEQ/fix_qeq_shielded.h @@ -27,9 +27,9 @@ namespace LAMMPS_NS { class FixQEqShielded : public FixQEq { public: FixQEqShielded(class LAMMPS *, int, char **); - ~FixQEqShielded() {} - void init(); - void pre_force(int); + + void init() override; + void pre_force(int) override; private: void extract_reax(); diff --git a/src/QEQ/fix_qeq_slater.h b/src/QEQ/fix_qeq_slater.h index 3247b0ddd6..6dd9f10e41 100644 --- a/src/QEQ/fix_qeq_slater.h +++ b/src/QEQ/fix_qeq_slater.h @@ -27,13 +27,13 @@ namespace LAMMPS_NS { class FixQEqSlater : public FixQEq { public: FixQEqSlater(class LAMMPS *, int, char **); - ~FixQEqSlater() {} - void init(); - void pre_force(int); + + void init() override; + void pre_force(int) override; private: void init_matvec(); - void sparse_matvec(sparse_matrix *, double *, double *); + void sparse_matvec(sparse_matrix *, double *, double *) override; void compute_H(); double calculate_H(double, double, double, double, double &); double calculate_H_wolf(double, double, double, double, double &); diff --git a/src/QTB/fix_qbmsst.h b/src/QTB/fix_qbmsst.h index 819bbd63a3..c3830b0c35 100644 --- a/src/QTB/fix_qbmsst.h +++ b/src/QTB/fix_qbmsst.h @@ -32,22 +32,22 @@ namespace LAMMPS_NS { class FixQBMSST : public Fix { public: FixQBMSST(class LAMMPS *, int, char **); - ~FixQBMSST(); - int setmask(); - void init(); - void setup(int); - void initial_integrate(int); - void final_integrate(); - double compute_scalar(); - double compute_vector(int); - void write_restart(FILE *); - void restart(char *); - int modify_param(int, char **); - double memory_usage(); - void grow_arrays(int); - void copy_arrays(int, int, int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); + ~FixQBMSST() override; + int setmask() override; + void init() override; + void setup(int) override; + void initial_integrate(int) override; + void final_integrate() override; + double compute_scalar() override; + double compute_vector(int) override; + void write_restart(FILE *) override; + void restart(char *) override; + int modify_param(int, char **) override; + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; private: // msst parameters diff --git a/src/QTB/fix_qtb.h b/src/QTB/fix_qtb.h index 1f52e9f4b0..1ee939a68e 100644 --- a/src/QTB/fix_qtb.h +++ b/src/QTB/fix_qtb.h @@ -32,18 +32,18 @@ namespace LAMMPS_NS { class FixQTB : public Fix { public: FixQTB(class LAMMPS *, int, char **); - virtual ~FixQTB(); - int setmask(); - void init(); - void setup(int); - void post_force(int); - void post_force_respa(int, int, int); - int modify_param(int, char **); - double memory_usage(); - void grow_arrays(int); - void copy_arrays(int, int, int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); + ~FixQTB() override; + int setmask() override; + void init() override; + void setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + int modify_param(int, char **) override; + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; private: // qtb parameters diff --git a/src/REACTION/fix_bond_react.h b/src/REACTION/fix_bond_react.h index 097133cb00..93a6f76f62 100644 --- a/src/REACTION/fix_bond_react.h +++ b/src/REACTION/fix_bond_react.h @@ -35,20 +35,20 @@ class FixBondReact : public Fix { enum { MAXCONPAR = 5 }; // max # of constraint parameters FixBondReact(class LAMMPS *, int, char **); - ~FixBondReact(); - int setmask(); - void post_constructor(); - void init(); - void init_list(int, class NeighList *); - void post_integrate(); - void post_integrate_respa(int, int); + ~FixBondReact() override; + int setmask() override; + void post_constructor() override; + void init() override; + void init_list(int, class NeighList *) override; + void post_integrate() override; + void post_integrate_respa(int, int) override; - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); - double compute_vector(int); - double memory_usage(); + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; + double compute_vector(int) override; + double memory_usage() override; private: int me, nprocs; @@ -197,8 +197,8 @@ class FixBondReact : public Fix { void unlimit_bond(); void limit_bond(int); void dedup_mega_gloves(int); //dedup global mega_glove - virtual void write_restart(FILE *); - virtual void restart(char *buf); + void write_restart(FILE *) override; + void restart(char *buf) override; struct Set { int nreacts; diff --git a/src/REAXFF/fix_acks2_reaxff.h b/src/REAXFF/fix_acks2_reaxff.h index 6c4b85e23e..2d21f80fe0 100644 --- a/src/REAXFF/fix_acks2_reaxff.h +++ b/src/REAXFF/fix_acks2_reaxff.h @@ -28,11 +28,11 @@ namespace LAMMPS_NS { class FixACKS2ReaxFF : public FixQEqReaxFF { public: FixACKS2ReaxFF(class LAMMPS *, int, char **); - virtual ~FixACKS2ReaxFF(); - void post_constructor(); - virtual void init(); - void init_storage(); - virtual void pre_force(int); + ~FixACKS2ReaxFF() override; + void post_constructor() override; + void init() override; + void init_storage() override; + void pre_force(int) override; double *get_s() { return s; } @@ -49,39 +49,39 @@ class FixACKS2ReaxFF : public FixQEqReaxFF { //BiCGStab storage double *g, *q_hat, *r_hat, *y, *z; - void pertype_parameters(char *); + void pertype_parameters(char *) override; void init_bondcut(); - void allocate_storage(); - void deallocate_storage(); - void allocate_matrix(); - void deallocate_matrix(); + void allocate_storage() override; + void deallocate_storage() override; + void allocate_matrix() override; + void deallocate_matrix() override; - void init_matvec(); + void init_matvec() override; void compute_X(); double calculate_X(double, double); - void calculate_Q(); + void calculate_Q() override; int BiCGStab(double *, double *); void sparse_matvec_acks2(sparse_matrix *, sparse_matrix *, double *, double *); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; void more_forward_comm(double *); void more_reverse_comm(double *); - double memory_usage(); - virtual void grow_arrays(int); - virtual void copy_arrays(int, int, int); - virtual int pack_exchange(int, double *); - virtual int unpack_exchange(int, double *); + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; - double parallel_norm(double *, int); - double parallel_dot(double *, double *, int); - double parallel_vector_acc(double *, int); + double parallel_norm(double *, int) override; + double parallel_dot(double *, double *, int) override; + double parallel_vector_acc(double *, int) override; - void vector_sum(double *, double, double *, double, double *, int); - void vector_add(double *, double, double *, int); + void vector_sum(double *, double, double *, double, double *, int) override; + void vector_add(double *, double, double *, int) override; void vector_copy(double *, double *, int); }; diff --git a/src/REAXFF/fix_qeq_reaxff.h b/src/REAXFF/fix_qeq_reaxff.h index ac54ff72ca..5ebb410a10 100644 --- a/src/REAXFF/fix_qeq_reaxff.h +++ b/src/REAXFF/fix_qeq_reaxff.h @@ -39,22 +39,22 @@ namespace LAMMPS_NS { class FixQEqReaxFF : public Fix { public: FixQEqReaxFF(class LAMMPS *, int, char **); - ~FixQEqReaxFF(); - int setmask(); - virtual void post_constructor(); - virtual void init(); - void init_list(int, class NeighList *); + ~FixQEqReaxFF() override; + int setmask() override; + void post_constructor() override; + void init() override; + void init_list(int, class NeighList *) override; virtual void init_storage(); - virtual void setup_pre_force(int); - virtual void pre_force(int); + void setup_pre_force(int) override; + void pre_force(int) override; - void setup_pre_force_respa(int, int); - void pre_force_respa(int, int, int); + void setup_pre_force_respa(int, int) override; + void pre_force_respa(int, int, int) override; void min_setup_pre_force(int); - void min_pre_force(int); + void min_pre_force(int) override; - virtual double compute_scalar(); + double compute_scalar() override; protected: int nevery, reaxflag; @@ -119,15 +119,15 @@ class FixQEqReaxFF : public Fix { virtual int CG(double *, double *); virtual void sparse_matvec(sparse_matrix *, double *, double *); - virtual int pack_forward_comm(int, int *, double *, int, int *); - virtual void unpack_forward_comm(int, int, double *); - virtual int pack_reverse_comm(int, int, double *); - virtual void unpack_reverse_comm(int, int *, double *); - virtual double memory_usage(); - virtual void grow_arrays(int); - virtual void copy_arrays(int, int, int); - virtual int pack_exchange(int, double *); - virtual int unpack_exchange(int, double *); + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; virtual double parallel_norm(double *, int); virtual double parallel_dot(double *, double *, int); diff --git a/src/REAXFF/fix_reaxff.h b/src/REAXFF/fix_reaxff.h index 165be197be..650b75c9d8 100644 --- a/src/REAXFF/fix_reaxff.h +++ b/src/REAXFF/fix_reaxff.h @@ -41,16 +41,16 @@ class FixReaxFF : public Fix { public: FixReaxFF(class LAMMPS *, int, char **); - ~FixReaxFF(); - int setmask(); + ~FixReaxFF() override; + int setmask() override; - double memory_usage(); - void grow_arrays(int); - void copy_arrays(int, int, int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; private: int maxbonds; // max # of bonds for any atom diff --git a/src/REAXFF/fix_reaxff_bonds.h b/src/REAXFF/fix_reaxff_bonds.h index 4c40017e43..7443db8658 100644 --- a/src/REAXFF/fix_reaxff_bonds.h +++ b/src/REAXFF/fix_reaxff_bonds.h @@ -29,11 +29,11 @@ namespace LAMMPS_NS { class FixReaxFFBonds : public Fix { public: FixReaxFFBonds(class LAMMPS *, int, char **); - virtual ~FixReaxFFBonds(); - int setmask(); - virtual void init(); - void setup(int); - void end_of_step(); + ~FixReaxFFBonds() override; + int setmask() override; + void init() override; + void setup(int) override; + void end_of_step() override; protected: int me, nprocs, nmax, ntypes, maxsize, compressed; @@ -49,7 +49,7 @@ class FixReaxFFBonds : public Fix { void PassBuffer(double *, int &); void RecvBuffer(double *, int, int, int, int); int nint(const double &); - virtual double memory_usage(); + double memory_usage() override; bigint nvalid, nextvalid(); struct _reax_list *lists; diff --git a/src/REAXFF/fix_reaxff_species.h b/src/REAXFF/fix_reaxff_species.h index ca5e0e512d..f441c3bc92 100644 --- a/src/REAXFF/fix_reaxff_species.h +++ b/src/REAXFF/fix_reaxff_species.h @@ -35,13 +35,13 @@ typedef struct { class FixReaxFFSpecies : public Fix { public: FixReaxFFSpecies(class LAMMPS *, int, char **); - virtual ~FixReaxFFSpecies(); - int setmask(); - virtual void init(); - void init_list(int, class NeighList *); - void setup(int); - void post_integrate(); - double compute_vector(int); + ~FixReaxFFSpecies() override; + int setmask() override; + void init() override; + void init_list(int, class NeighList *) override; + void setup(int) override; + void post_integrate() override; + double compute_vector(int) override; protected: int me, nprocs, nmax, nlocal, ntypes, ntotal; @@ -68,11 +68,11 @@ class FixReaxFFSpecies : public Fix { int CheckExistence(int, int); int nint(const 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; void OpenPos(); void WritePos(int, int); - double memory_usage(); + double memory_usage() override; bigint nvalid; diff --git a/src/REPLICA/fix_event.h b/src/REPLICA/fix_event.h index 963b505c85..d131d7eed2 100644 --- a/src/REPLICA/fix_event.h +++ b/src/REPLICA/fix_event.h @@ -21,16 +21,16 @@ namespace LAMMPS_NS { class FixEvent : public Fix { public: FixEvent(class LAMMPS *, int, char **); - virtual ~FixEvent() = 0; // use destructor to make base class virtual - int setmask(); + ~FixEvent() override = 0; // use destructor to make base class virtual + int setmask() override; - double memory_usage(); - void grow_arrays(int); - void copy_arrays(int, int, int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); - virtual void write_restart(FILE *) {} - virtual void restart(char *) {} + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + void write_restart(FILE *) override {} + void restart(char *) override {} // methods specific to FixEvent diff --git a/src/REPLICA/fix_event_hyper.h b/src/REPLICA/fix_event_hyper.h index b86e448775..2bcb6a8218 100644 --- a/src/REPLICA/fix_event_hyper.h +++ b/src/REPLICA/fix_event_hyper.h @@ -34,10 +34,9 @@ class FixEventHyper : public FixEvent { int ncoincident; // # of simultaneous events on different replicas FixEventHyper(class LAMMPS *, int, char **); - ~FixEventHyper() {} - void write_restart(FILE *); - void restart(char *); + void write_restart(FILE *) override; + void restart(char *) override; // methods specific to FixEventHyper, invoked by hyper diff --git a/src/REPLICA/fix_event_prd.h b/src/REPLICA/fix_event_prd.h index a5ed2418da..6ed8521a81 100644 --- a/src/REPLICA/fix_event_prd.h +++ b/src/REPLICA/fix_event_prd.h @@ -34,10 +34,9 @@ class FixEventPRD : public FixEvent { int ncoincident; // # of simultaneous events on different replicas FixEventPRD(class LAMMPS *, int, char **); - ~FixEventPRD() {} - void write_restart(FILE *); - void restart(char *); + void write_restart(FILE *) override; + void restart(char *) override; // methods specific to FixEventPRD, invoked by PRD diff --git a/src/REPLICA/fix_event_tad.h b/src/REPLICA/fix_event_tad.h index 88f27c20e9..2b44ce45f0 100644 --- a/src/REPLICA/fix_event_tad.h +++ b/src/REPLICA/fix_event_tad.h @@ -32,10 +32,9 @@ class FixEventTAD : public FixEvent { double ebarrier; // energy barrier for this event FixEventTAD(class LAMMPS *, int, char **); - ~FixEventTAD() {} - void write_restart(FILE *); - void restart(char *); + void write_restart(FILE *) override; + void restart(char *) override; // methods specific to FixEventTAD, invoked by TAD diff --git a/src/REPLICA/fix_grem.h b/src/REPLICA/fix_grem.h index 71dd5d939d..cd7f0b35b3 100644 --- a/src/REPLICA/fix_grem.h +++ b/src/REPLICA/fix_grem.h @@ -27,14 +27,14 @@ namespace LAMMPS_NS { class FixGrem : public Fix { public: FixGrem(class LAMMPS *, int, char **); - ~FixGrem(); - int setmask(); - void init(); - void setup(int); - void min_setup(int); - void post_force(int); - void *extract(const char *, int &); - double compute_scalar(); + ~FixGrem() override; + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; + void *extract(const char *, int &) override; + double compute_scalar() override; double scale_grem, lambda, eta, h0; int pressflag; diff --git a/src/REPLICA/fix_hyper.h b/src/REPLICA/fix_hyper.h index 64552b18c6..b6b35ff031 100644 --- a/src/REPLICA/fix_hyper.h +++ b/src/REPLICA/fix_hyper.h @@ -23,8 +23,7 @@ class FixHyper : public Fix { bigint ntimestep_initial; FixHyper(class LAMMPS *, int, char **); - virtual ~FixHyper() {} - void *extract(const char *, int &); + void *extract(const char *, int &) override; // must be provided by child class diff --git a/src/REPLICA/fix_hyper_global.h b/src/REPLICA/fix_hyper_global.h index 4b9f2886cd..0273c4ce63 100644 --- a/src/REPLICA/fix_hyper_global.h +++ b/src/REPLICA/fix_hyper_global.h @@ -27,24 +27,24 @@ namespace LAMMPS_NS { class FixHyperGlobal : public FixHyper { public: FixHyperGlobal(class LAMMPS *, int, char **); - ~FixHyperGlobal(); - int setmask(); - void init(); - void init_list(int, class NeighList *); - void setup_pre_neighbor(); - void setup_pre_reverse(int, int); - void pre_neighbor(); - void pre_reverse(int, int); - double compute_scalar(); - double compute_vector(int); - double query(int); + ~FixHyperGlobal() override; + int setmask() override; + void init() override; + void init_list(int, class NeighList *) override; + void setup_pre_neighbor() override; + void setup_pre_reverse(int, int) override; + void pre_neighbor() override; + void pre_reverse(int, int) override; + double compute_scalar() override; + double compute_vector(int) override; + double query(int) override; - double memory_usage(); + double memory_usage() override; // extra methods visible to callers - void init_hyper(); - void build_bond_list(int); + void init_hyper() override; + void build_bond_list(int) override; private: int me; diff --git a/src/REPLICA/fix_hyper_local.h b/src/REPLICA/fix_hyper_local.h index 91a594fc64..ace74c7eec 100644 --- a/src/REPLICA/fix_hyper_local.h +++ b/src/REPLICA/fix_hyper_local.h @@ -29,31 +29,31 @@ struct HyperOneCoeff; class FixHyperLocal : public FixHyper { public: FixHyperLocal(class LAMMPS *, int, char **); - ~FixHyperLocal(); - int setmask(); - void init(); - void init_list(int, class NeighList *); - void setup_pre_neighbor(); - void setup_pre_reverse(int, int); - void pre_neighbor(); - void pre_reverse(int, int); - void min_pre_neighbor(); - double compute_scalar(); - double compute_vector(int); - double query(int); + ~FixHyperLocal() override; + int setmask() override; + void init() override; + void init_list(int, class NeighList *) override; + void setup_pre_neighbor() override; + void setup_pre_reverse(int, int) override; + void pre_neighbor() override; + void pre_reverse(int, int) override; + void min_pre_neighbor() override; + double compute_scalar() override; + double compute_vector(int) override; + double query(int) override; - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - int pack_reverse_comm(int, int, double *); - int pack_reverse_comm_size(int, int); - void unpack_reverse_comm(int, int *, double *); + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + int pack_reverse_comm(int, int, double *) override; + int pack_reverse_comm_size(int, int) override; + void unpack_reverse_comm(int, int *, double *) override; - double memory_usage(); + double memory_usage() override; // extra methods visible to callers - void init_hyper(); - void build_bond_list(int); + void init_hyper() override; + void build_bond_list(int) override; private: int me; diff --git a/src/REPLICA/fix_neb.h b/src/REPLICA/fix_neb.h index 3bdec0414f..5c9930d73f 100644 --- a/src/REPLICA/fix_neb.h +++ b/src/REPLICA/fix_neb.h @@ -30,11 +30,11 @@ class FixNEB : public Fix { int rclimber; FixNEB(class LAMMPS *, int, char **); - ~FixNEB(); - int setmask(); - void init(); - void min_setup(int); - void min_post_force(int); + ~FixNEB() override; + int setmask() override; + void init() override; + void min_setup(int) override; + void min_post_force(int) override; private: int me, nprocs, nprocs_universe; diff --git a/src/REPLICA/fix_pimd.h b/src/REPLICA/fix_pimd.h index 05a24dedce..ad3c7d31b0 100644 --- a/src/REPLICA/fix_pimd.h +++ b/src/REPLICA/fix_pimd.h @@ -27,29 +27,29 @@ namespace LAMMPS_NS { class FixPIMD : public Fix { public: FixPIMD(class LAMMPS *, int, char **); - virtual ~FixPIMD(); + ~FixPIMD() override; - int setmask(); + int setmask() override; - void init(); - void setup(int); - void post_force(int); - void initial_integrate(int); - void final_integrate(); + void init() override; + void setup(int) override; + void post_force(int) override; + void initial_integrate(int) override; + void final_integrate() override; - double memory_usage(); - void grow_arrays(int); - void copy_arrays(int, int, int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); - int pack_restart(int, double *); - void unpack_restart(int, int); - int maxsize_restart(); - int size_restart(int); - double compute_vector(int); + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + int pack_restart(int, double *) override; + void unpack_restart(int, int) override; + int maxsize_restart() override; + int size_restart(int) override; + double compute_vector(int) override; - 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; int method; int np; diff --git a/src/RIGID/fix_ehex.h b/src/RIGID/fix_ehex.h index 32ff1b9560..f4ea872533 100644 --- a/src/RIGID/fix_ehex.h +++ b/src/RIGID/fix_ehex.h @@ -29,17 +29,17 @@ class FixEHEX : public Fix { public: FixEHEX(class LAMMPS *, int, char **); - ~FixEHEX(); - int setmask(); - void init(); - void end_of_step(); + ~FixEHEX() override; + int setmask() override; + void init() override; + void end_of_step() override; void rescale(); - double compute_scalar(); - double memory_usage(); + double compute_scalar() override; + double memory_usage() override; void update_scalingmask(); void com_properties(double *, double *, double *, double *, double *, double *); bool rescale_atom(int i, class Region *region); - virtual void grow_arrays(int nmax); + void grow_arrays(int nmax) override; bool check_cluster(tagint *shake_atom, int n, class Region *region); private: diff --git a/src/RIGID/fix_rattle.h b/src/RIGID/fix_rattle.h index d8bcec753c..937a2e1233 100644 --- a/src/RIGID/fix_rattle.h +++ b/src/RIGID/fix_rattle.h @@ -32,23 +32,23 @@ class FixRattle : public FixShake { double verr_max; // velocity error FixRattle(class LAMMPS *, int, char **); - ~FixRattle(); - int setmask(); - virtual void init(); - virtual void post_force(int); - virtual void post_force_respa(int, int, int); - virtual void final_integrate(); - virtual void final_integrate_respa(int, int); + ~FixRattle() override; + int setmask() override; + void init() override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void final_integrate() override; + void final_integrate_respa(int, int) override; - virtual void correct_coordinates(int vflag); - virtual void correct_velocities(); - virtual void shake_end_of_step(int vflag); + void correct_coordinates(int vflag) override; + void correct_velocities() override; + void shake_end_of_step(int vflag) override; - virtual double memory_usage(); - virtual void grow_arrays(int); - virtual int pack_forward_comm(int, int *, double *, int, int *); - virtual void unpack_forward_comm(int, int, double *); - virtual void reset_dt(); + double memory_usage() override; + void grow_arrays(int) override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + void reset_dt() override; private: void update_v_half_nocons(); @@ -68,7 +68,7 @@ class FixRattle : public FixShake { bool check3(double **v, int m, bool checkr, bool checkv); bool check4(double **v, int m, bool checkr, bool checkv); bool check_constraints(double **v, bool checkr, bool checkv); - void end_of_step(); + void end_of_step() override; }; } // namespace LAMMPS_NS diff --git a/src/RIGID/fix_rigid.h b/src/RIGID/fix_rigid.h index 90663acc47..36ab138868 100644 --- a/src/RIGID/fix_rigid.h +++ b/src/RIGID/fix_rigid.h @@ -27,38 +27,38 @@ namespace LAMMPS_NS { class FixRigid : public Fix { public: FixRigid(class LAMMPS *, int, char **); - virtual ~FixRigid(); - virtual int setmask(); - virtual void init(); - virtual void setup(int); - virtual void initial_integrate(int); - void post_force(int); - virtual void final_integrate(); - void initial_integrate_respa(int, int, int); - void final_integrate_respa(int, int); - void write_restart_file(const char *); - virtual double compute_scalar(); + ~FixRigid() override; + int setmask() override; + void init() override; + void setup(int) override; + void initial_integrate(int) override; + void post_force(int) override; + void final_integrate() override; + void initial_integrate_respa(int, int, int) override; + void final_integrate_respa(int, int) override; + void write_restart_file(const char *) override; + double compute_scalar() override; - double memory_usage(); - void grow_arrays(int); - void copy_arrays(int, int, int); - void set_arrays(int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + void set_arrays(int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; - void setup_pre_neighbor(); - void pre_neighbor(); - int dof(int); - void deform(int); - void enforce2d(); - void reset_dt(); - void zero_momentum(); - void zero_rotation(); - virtual int modify_param(int, char **); - virtual void *extract(const char *, int &); + void setup_pre_neighbor() override; + void pre_neighbor() override; + int dof(int) override; + void deform(int) override; + void enforce2d() override; + void reset_dt() override; + void zero_momentum() override; + void zero_rotation() override; + int modify_param(int, char **) override; + void *extract(const char *, int &) override; double extract_ke(); double extract_erotational(); - double compute_array(int, int); + double compute_array(int, int) override; protected: int me, nprocs; diff --git a/src/RIGID/fix_rigid_nh.h b/src/RIGID/fix_rigid_nh.h index 0335eecabf..88f27126ef 100644 --- a/src/RIGID/fix_rigid_nh.h +++ b/src/RIGID/fix_rigid_nh.h @@ -21,17 +21,17 @@ namespace LAMMPS_NS { class FixRigidNH : public FixRigid { public: FixRigidNH(class LAMMPS *, int, char **); - virtual ~FixRigidNH(); - virtual int setmask(); - virtual void init(); - virtual void setup(int); - virtual void initial_integrate(int); - virtual void final_integrate(); - virtual double compute_scalar(); - int modify_param(int, char **); - void write_restart(FILE *); - void restart(char *buf); - void reset_target(double); + ~FixRigidNH() override; + int setmask() override; + void init() override; + void setup(int) override; + void initial_integrate(int) override; + void final_integrate() override; + double compute_scalar() override; + int modify_param(int, char **) override; + void write_restart(FILE *) override; + void restart(char *buf) override; + void reset_target(double) override; protected: double **conjqm; // conjugate quaternion momentum diff --git a/src/RIGID/fix_rigid_nh_small.h b/src/RIGID/fix_rigid_nh_small.h index 11dae8f211..b52797f194 100644 --- a/src/RIGID/fix_rigid_nh_small.h +++ b/src/RIGID/fix_rigid_nh_small.h @@ -21,17 +21,17 @@ namespace LAMMPS_NS { class FixRigidNHSmall : public FixRigidSmall { public: FixRigidNHSmall(class LAMMPS *, int, char **); - virtual ~FixRigidNHSmall(); - virtual int setmask(); - virtual void init(); - virtual void setup(int); - virtual void initial_integrate(int); - virtual void final_integrate(); - virtual double compute_scalar(); - int modify_param(int, char **); - void write_restart(FILE *); - void restart(char *buf); - void reset_target(double); + ~FixRigidNHSmall() override; + int setmask() override; + void init() override; + void setup(int) override; + void initial_integrate(int) override; + void final_integrate() override; + double compute_scalar() override; + int modify_param(int, char **) override; + void write_restart(FILE *) override; + void restart(char *buf) override; + void reset_target(double) override; protected: double boltz, nktv2p, mvv2e; // boltzman constant, conversion factors diff --git a/src/RIGID/fix_rigid_nph.h b/src/RIGID/fix_rigid_nph.h index 4cdb61c141..0d9de7edc3 100644 --- a/src/RIGID/fix_rigid_nph.h +++ b/src/RIGID/fix_rigid_nph.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixRigidNPH : public FixRigidNH { public: FixRigidNPH(class LAMMPS *, int, char **); - ~FixRigidNPH() {} }; } // namespace LAMMPS_NS diff --git a/src/RIGID/fix_rigid_nph_small.h b/src/RIGID/fix_rigid_nph_small.h index ae4d2e6466..3c7245ceae 100644 --- a/src/RIGID/fix_rigid_nph_small.h +++ b/src/RIGID/fix_rigid_nph_small.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixRigidNPHSmall : public FixRigidNHSmall { public: FixRigidNPHSmall(class LAMMPS *, int, char **); - ~FixRigidNPHSmall() {} }; } // namespace LAMMPS_NS diff --git a/src/RIGID/fix_rigid_npt.h b/src/RIGID/fix_rigid_npt.h index a4bcda5b3d..a0ba26a06d 100644 --- a/src/RIGID/fix_rigid_npt.h +++ b/src/RIGID/fix_rigid_npt.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixRigidNPT : public FixRigidNH { public: FixRigidNPT(class LAMMPS *, int, char **); - ~FixRigidNPT() {} }; } // namespace LAMMPS_NS diff --git a/src/RIGID/fix_rigid_npt_small.h b/src/RIGID/fix_rigid_npt_small.h index 24d4fda374..1d02688bab 100644 --- a/src/RIGID/fix_rigid_npt_small.h +++ b/src/RIGID/fix_rigid_npt_small.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixRigidNPTSmall : public FixRigidNHSmall { public: FixRigidNPTSmall(class LAMMPS *, int, char **); - ~FixRigidNPTSmall() {} }; } // namespace LAMMPS_NS diff --git a/src/RIGID/fix_rigid_nve.h b/src/RIGID/fix_rigid_nve.h index b05df5b606..b38203c114 100644 --- a/src/RIGID/fix_rigid_nve.h +++ b/src/RIGID/fix_rigid_nve.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixRigidNVE : public FixRigidNH { public: FixRigidNVE(class LAMMPS *, int, char **); - ~FixRigidNVE() {} }; } // namespace LAMMPS_NS diff --git a/src/RIGID/fix_rigid_nve_small.h b/src/RIGID/fix_rigid_nve_small.h index 3cc790befa..0255d1d750 100644 --- a/src/RIGID/fix_rigid_nve_small.h +++ b/src/RIGID/fix_rigid_nve_small.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixRigidNVESmall : public FixRigidNHSmall { public: FixRigidNVESmall(class LAMMPS *, int, char **); - ~FixRigidNVESmall() {} }; } // namespace LAMMPS_NS diff --git a/src/RIGID/fix_rigid_nvt.h b/src/RIGID/fix_rigid_nvt.h index 5224fd56ae..7e6bb54937 100644 --- a/src/RIGID/fix_rigid_nvt.h +++ b/src/RIGID/fix_rigid_nvt.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixRigidNVT : public FixRigidNH { public: FixRigidNVT(class LAMMPS *, int, char **); - ~FixRigidNVT() {} }; } // namespace LAMMPS_NS diff --git a/src/RIGID/fix_rigid_nvt_small.h b/src/RIGID/fix_rigid_nvt_small.h index edb781884b..0138a3a561 100644 --- a/src/RIGID/fix_rigid_nvt_small.h +++ b/src/RIGID/fix_rigid_nvt_small.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixRigidNVTSmall : public FixRigidNHSmall { public: FixRigidNVTSmall(class LAMMPS *, int, char **); - ~FixRigidNVTSmall() {} }; } // namespace LAMMPS_NS diff --git a/src/RIGID/fix_rigid_small.h b/src/RIGID/fix_rigid_small.h index e289c179d9..1b869afaa4 100644 --- a/src/RIGID/fix_rigid_small.h +++ b/src/RIGID/fix_rigid_small.h @@ -29,43 +29,43 @@ class FixRigidSmall : public Fix { public: FixRigidSmall(class LAMMPS *, int, char **); - virtual ~FixRigidSmall(); - virtual int setmask(); - virtual void init(); - virtual void setup(int); - virtual void initial_integrate(int); - void post_force(int); - virtual void final_integrate(); - void initial_integrate_respa(int, int, int); - void final_integrate_respa(int, int); - void write_restart_file(const char *); + ~FixRigidSmall() override; + int setmask() override; + void init() override; + void setup(int) override; + void initial_integrate(int) override; + void post_force(int) override; + void final_integrate() override; + void initial_integrate_respa(int, int, int) override; + void final_integrate_respa(int, int) override; + void write_restart_file(const char *) override; - void grow_arrays(int); - void copy_arrays(int, int, int); - void set_arrays(int); - virtual void set_molecule(int, tagint, int, double *, double *, double *); + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + void set_arrays(int) override; + void set_molecule(int, tagint, int, double *, double *, double *) override; - int pack_exchange(int, double *); - int unpack_exchange(int, double *); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; - void setup_pre_neighbor(); - void pre_neighbor(); - int dof(int); - void deform(int); - void enforce2d(); - void reset_dt(); - void zero_momentum(); - void zero_rotation(); - int modify_param(int, char **); - void *extract(const char *, int &); + void setup_pre_neighbor() override; + void pre_neighbor() override; + int dof(int) override; + void deform(int) override; + void enforce2d() override; + void reset_dt() override; + void zero_momentum() override; + void zero_rotation() override; + int modify_param(int, char **) override; + void *extract(const char *, int &) override; double extract_ke(); double extract_erotational(); - double compute_scalar(); - double memory_usage(); + double compute_scalar() override; + double memory_usage() override; protected: int me, nprocs; diff --git a/src/RIGID/fix_shake.h b/src/RIGID/fix_shake.h index 3db415281d..5a956bd798 100644 --- a/src/RIGID/fix_shake.h +++ b/src/RIGID/fix_shake.h @@ -30,33 +30,33 @@ class FixShake : public Fix { public: FixShake(class LAMMPS *, int, char **); - virtual ~FixShake(); - virtual int setmask(); - virtual void init(); - void setup(int); - virtual void pre_neighbor(); - virtual void post_force(int); - virtual void post_force_respa(int, int, int); + ~FixShake() override; + int setmask() override; + void init() override; + void setup(int) override; + void pre_neighbor() override; + void post_force(int) override; + void post_force_respa(int, int, int) override; - virtual double memory_usage(); - virtual void grow_arrays(int); - virtual void copy_arrays(int, int, int); - virtual void set_arrays(int); - virtual void update_arrays(int, int); - virtual void set_molecule(int, tagint, int, double *, double *, double *); + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + void set_arrays(int) override; + void update_arrays(int, int) override; + void set_molecule(int, tagint, int, double *, double *, double *) override; - virtual int pack_exchange(int, double *); - virtual int unpack_exchange(int, double *); - virtual int pack_forward_comm(int, int *, double *, int, int *); - virtual void unpack_forward_comm(int, int, double *); + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; virtual void shake_end_of_step(int vflag); virtual void correct_coordinates(int vflag); virtual void correct_velocities(); - virtual int dof(int); - virtual void reset_dt(); - void *extract(const char *, int &); + int dof(int) override; + void reset_dt() override; + void *extract(const char *, int &) override; protected: int vflag_post_force; // store the vflag of last post_force call diff --git a/src/SHOCK/fix_append_atoms.h b/src/SHOCK/fix_append_atoms.h index a8ba145b97..41c14a2c20 100644 --- a/src/SHOCK/fix_append_atoms.h +++ b/src/SHOCK/fix_append_atoms.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class FixAppendAtoms : public Fix { public: FixAppendAtoms(class LAMMPS *, int, char **); - ~FixAppendAtoms(); - int setmask(); - void setup(int); - void pre_exchange(); - void initial_integrate(int); - void post_force(int); + ~FixAppendAtoms() override; + int setmask() override; + void setup(int) override; + void pre_exchange() override; + void initial_integrate(int) override; + void post_force(int) override; private: int get_spatial(); diff --git a/src/SHOCK/fix_msst.h b/src/SHOCK/fix_msst.h index 76bfbf6d55..98b47c60f6 100644 --- a/src/SHOCK/fix_msst.h +++ b/src/SHOCK/fix_msst.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class FixMSST : public Fix { public: FixMSST(class LAMMPS *, int, char **); - ~FixMSST(); - int setmask(); - void init(); - void setup(int); - void initial_integrate(int); - void final_integrate(); - double compute_scalar(); - double compute_vector(int); - void write_restart(FILE *); - void restart(char *); - int modify_param(int, char **); - double memory_usage(); + ~FixMSST() override; + int setmask() override; + void init() override; + void setup(int) override; + void initial_integrate(int) override; + void final_integrate() override; + double compute_scalar() override; + double compute_vector(int) override; + void write_restart(FILE *) override; + void restart(char *) override; + int modify_param(int, char **) override; + double memory_usage() override; private: double dtv, dtf, dthalf; // full and half step sizes diff --git a/src/SHOCK/fix_nphug.h b/src/SHOCK/fix_nphug.h index 57b4dabc9c..9c67b070d3 100644 --- a/src/SHOCK/fix_nphug.h +++ b/src/SHOCK/fix_nphug.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class FixNPHug : public FixNH { public: FixNPHug(class LAMMPS *, int, char **); - ~FixNPHug(); - void init(); - void setup(int); - int modify_param(int, char **); - int pack_restart_data(double *); // pack restart data - void restart(char *); + ~FixNPHug() override; + void init() override; + void setup(int) override; + int modify_param(int, char **) override; + int pack_restart_data(double *) override; // pack restart data + void restart(char *) override; private: class Compute *pe; // PE compute pointer - void compute_temp_target(); - double compute_vector(int); + void compute_temp_target() override; + double compute_vector(int) override; double compute_etotal(); double compute_vol(); double compute_hugoniot(); @@ -52,7 +52,7 @@ class FixNPHug : public FixNH { int idir; int uniaxial; - int size_restart_global(); + int size_restart_global() override; }; } // namespace LAMMPS_NS diff --git a/src/SHOCK/fix_wall_piston.h b/src/SHOCK/fix_wall_piston.h index 5d2e02a21e..3e9f73fd94 100644 --- a/src/SHOCK/fix_wall_piston.h +++ b/src/SHOCK/fix_wall_piston.h @@ -26,10 +26,10 @@ namespace LAMMPS_NS { class FixWallPiston : public Fix { public: FixWallPiston(class LAMMPS *, int, char **); - virtual ~FixWallPiston(); - int setmask(); - void post_integrate(); - void initial_integrate(int); + ~FixWallPiston() override; + int setmask() override; + void post_integrate() override; + void initial_integrate(int) override; private: int xloflag, xhiflag, yloflag, yhiflag, zloflag, zhiflag; diff --git a/src/SPH/fix_sph.h b/src/SPH/fix_sph.h index 5b3d25f666..0bb9f2f965 100644 --- a/src/SPH/fix_sph.h +++ b/src/SPH/fix_sph.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class FixSPH : public Fix { public: FixSPH(class LAMMPS *, int, char **); - int setmask(); - virtual void init(); - virtual void setup_pre_force(int); - virtual void initial_integrate(int); - virtual void final_integrate(); - void reset_dt(); + int setmask() override; + void init() override; + void setup_pre_force(int) override; + void initial_integrate(int) override; + void final_integrate() override; + void reset_dt() override; private: class NeighList *list; diff --git a/src/SPH/fix_sph_stationary.h b/src/SPH/fix_sph_stationary.h index 8dde541b0a..b558aba917 100644 --- a/src/SPH/fix_sph_stationary.h +++ b/src/SPH/fix_sph_stationary.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class FixSPHStationary : public Fix { public: FixSPHStationary(class LAMMPS *, int, char **); - int setmask(); - virtual void init(); - virtual void initial_integrate(int); - virtual void final_integrate(); - void reset_dt(); + int setmask() override; + void init() override; + void initial_integrate(int) override; + void final_integrate() override; + void reset_dt() override; private: class NeighList *list; diff --git a/src/SPIN/fix_langevin_spin.h b/src/SPIN/fix_langevin_spin.h index c9608748d9..d5262fae64 100644 --- a/src/SPIN/fix_langevin_spin.h +++ b/src/SPIN/fix_langevin_spin.h @@ -29,10 +29,10 @@ class FixLangevinSpin : public Fix { int tdamp_flag, temp_flag; // damping and temperature flags FixLangevinSpin(class LAMMPS *, int, char **); - virtual ~FixLangevinSpin(); - int setmask(); - void init(); - void setup(int); + ~FixLangevinSpin() override; + int setmask() override; + void init() override; + void setup(int) override; void add_tdamping(double *, double *); // add transverse damping void add_temperature(double[3]); void compute_single_langevin(int, double *, double *); diff --git a/src/SPIN/fix_neb_spin.h b/src/SPIN/fix_neb_spin.h index 5ddef9c791..79fbdf454d 100644 --- a/src/SPIN/fix_neb_spin.h +++ b/src/SPIN/fix_neb_spin.h @@ -30,11 +30,11 @@ class FixNEBSpin : public Fix { int rclimber; FixNEBSpin(class LAMMPS *, int, char **); - ~FixNEBSpin(); - int setmask(); - void init(); - void min_setup(int); - void min_post_force(int); + ~FixNEBSpin() override; + int setmask() override; + void init() override; + void min_setup(int) override; + void min_post_force(int) override; private: int me, nprocs, nprocs_universe; diff --git a/src/SPIN/fix_nve_spin.h b/src/SPIN/fix_nve_spin.h index 718eb3a733..b468f60fc0 100644 --- a/src/SPIN/fix_nve_spin.h +++ b/src/SPIN/fix_nve_spin.h @@ -29,11 +29,11 @@ class FixNVESpin : public Fix { public: FixNVESpin(class LAMMPS *, int, char **); - virtual ~FixNVESpin(); - int setmask(); - void init(); - virtual void initial_integrate(int); - virtual void final_integrate(); + ~FixNVESpin() override; + int setmask() override; + void init() override; + void initial_integrate(int) override; + void final_integrate() override; void ComputeInteractionsSpin(int); // compute and advance single spin functions void AdvanceSingleSpin(int); @@ -41,8 +41,8 @@ class FixNVESpin : public Fix { void sectoring(); // sectoring operation functions int coords2sector(double *); - void setup_pre_neighbor(); - void pre_neighbor(); + void setup_pre_neighbor() override; + void pre_neighbor() override; int lattice_flag; // lattice_flag = 0 if spins only // lattice_flag = 1 if spin-lattice calc. diff --git a/src/SPIN/fix_precession_spin.h b/src/SPIN/fix_precession_spin.h index dafc729337..96c369b43a 100644 --- a/src/SPIN/fix_precession_spin.h +++ b/src/SPIN/fix_precession_spin.h @@ -29,15 +29,15 @@ class FixPrecessionSpin : public Fix { public: FixPrecessionSpin(class LAMMPS *, int, char **); - ~FixPrecessionSpin(); - int setmask(); - void init(); - void setup(int); - void min_setup(int); - void post_force(int); - void post_force_respa(int, int, int); - void min_post_force(int); - double compute_scalar(); + ~FixPrecessionSpin() override; + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void min_post_force(int) override; + double compute_scalar() override; int zeeman_flag, stt_flag, aniso_flag, cubic_flag, hexaniso_flag; void compute_single_precession(int, double *, double *); diff --git a/src/SPIN/fix_setforce_spin.h b/src/SPIN/fix_setforce_spin.h index 678a00da37..bc018e02e5 100644 --- a/src/SPIN/fix_setforce_spin.h +++ b/src/SPIN/fix_setforce_spin.h @@ -27,8 +27,8 @@ namespace LAMMPS_NS { class FixSetForceSpin : public FixSetForce { public: FixSetForceSpin(class LAMMPS *, int, char **); - virtual void post_force(int); - void post_force_respa(int, int, int); + void post_force(int) override; + void post_force_respa(int, int, int) override; void single_setforce_spin(int, double *); }; diff --git a/src/SRD/fix_srd.h b/src/SRD/fix_srd.h index e4dd557394..e6a203cba4 100644 --- a/src/SRD/fix_srd.h +++ b/src/SRD/fix_srd.h @@ -27,17 +27,17 @@ namespace LAMMPS_NS { class FixSRD : public Fix { public: FixSRD(class LAMMPS *, int, char **); - ~FixSRD(); - int setmask(); - void init(); - void setup(int); - void pre_neighbor(); - void post_force(int); - double compute_vector(int); + ~FixSRD() override; + int setmask() override; + void init() override; + void setup(int) override; + void pre_neighbor() override; + void post_force(int) override; + double compute_vector(int) override; - double memory_usage(); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); + double memory_usage() override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; private: int me, nprocs; diff --git a/src/SRD/fix_wall_srd.h b/src/SRD/fix_wall_srd.h index 81c0064721..ecd16c6e6d 100644 --- a/src/SRD/fix_wall_srd.h +++ b/src/SRD/fix_wall_srd.h @@ -32,10 +32,10 @@ class FixWallSRD : public Fix { double **fwall; FixWallSRD(class LAMMPS *, int, char **); - ~FixWallSRD(); - int setmask(); - void init(); - double compute_array(int, int); + ~FixWallSRD() override; + int setmask() override; + void init() override; + double compute_array(int, int) override; void wall_params(int); diff --git a/src/UEF/fix_npt_uef.h b/src/UEF/fix_npt_uef.h index a46b388412..565e12e19b 100644 --- a/src/UEF/fix_npt_uef.h +++ b/src/UEF/fix_npt_uef.h @@ -29,7 +29,6 @@ namespace LAMMPS_NS { class FixNPTUef : public FixNHUef { public: FixNPTUef(class LAMMPS *, int, char **); - ~FixNPTUef() {} }; } // namespace LAMMPS_NS diff --git a/src/UEF/fix_nvt_uef.h b/src/UEF/fix_nvt_uef.h index 7192aa6412..f1e7031054 100644 --- a/src/UEF/fix_nvt_uef.h +++ b/src/UEF/fix_nvt_uef.h @@ -29,7 +29,6 @@ namespace LAMMPS_NS { class FixNVTUef : public FixNHUef { public: FixNVTUef(class LAMMPS *, int, char **); - ~FixNVTUef() {} }; } // namespace LAMMPS_NS diff --git a/src/fix_adapt.h b/src/fix_adapt.h index db3dcf269c..939f46f8a2 100644 --- a/src/fix_adapt.h +++ b/src/fix_adapt.h @@ -30,18 +30,18 @@ class FixAdapt : public Fix { int chgflag; FixAdapt(class LAMMPS *, int, char **); - ~FixAdapt(); - int setmask(); - void post_constructor(); - void init(); - void setup_pre_force(int); - void pre_force(int); - void post_run(); - void setup_pre_force_respa(int, int); - void pre_force_respa(int, int, int); - void set_arrays(int); - void write_restart(FILE *); - void restart(char *); + ~FixAdapt() override; + int setmask() override; + void post_constructor() override; + void init() override; + void setup_pre_force(int) override; + void pre_force(int) override; + void post_run() override; + void setup_pre_force_respa(int, int) override; + void pre_force_respa(int, int, int) override; + void set_arrays(int) override; + void write_restart(FILE *) override; + void restart(char *) override; private: int nadapt, resetflag, scaleflag, massflag; diff --git a/src/fix_addforce.h b/src/fix_addforce.h index 507bb26acb..a3d579c495 100644 --- a/src/fix_addforce.h +++ b/src/fix_addforce.h @@ -27,17 +27,17 @@ namespace LAMMPS_NS { class FixAddForce : public Fix { public: FixAddForce(class LAMMPS *, int, char **); - ~FixAddForce(); - int setmask(); - void init(); - void setup(int); - void min_setup(int); - void post_force(int); - void post_force_respa(int, int, int); - void min_post_force(int); - double compute_scalar(); - double compute_vector(int); - double memory_usage(); + ~FixAddForce() override; + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void min_post_force(int) override; + double compute_scalar() override; + double compute_vector(int) override; + double memory_usage() override; private: double xvalue, yvalue, zvalue; diff --git a/src/fix_ave_atom.h b/src/fix_ave_atom.h index 0cb1ad80bc..f55f8abdd1 100644 --- a/src/fix_ave_atom.h +++ b/src/fix_ave_atom.h @@ -27,17 +27,17 @@ namespace LAMMPS_NS { class FixAveAtom : public Fix { public: FixAveAtom(class LAMMPS *, int, char **); - ~FixAveAtom(); - int setmask(); - void init(); - void setup(int); - void end_of_step(); + ~FixAveAtom() override; + int setmask() override; + void init() override; + void setup(int) override; + void end_of_step() override; - double memory_usage(); - void grow_arrays(int); - void copy_arrays(int, int, int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; private: int nvalues; diff --git a/src/fix_ave_chunk.h b/src/fix_ave_chunk.h index 69fdea0f06..b0089e3871 100644 --- a/src/fix_ave_chunk.h +++ b/src/fix_ave_chunk.h @@ -27,13 +27,13 @@ namespace LAMMPS_NS { class FixAveChunk : public Fix { public: FixAveChunk(class LAMMPS *, int, char **); - ~FixAveChunk(); - int setmask(); - void init(); - void setup(int); - void end_of_step(); - double compute_array(int, int); - double memory_usage(); + ~FixAveChunk() override; + int setmask() override; + void init() override; + void setup(int) override; + void end_of_step() override; + double compute_array(int, int) override; + double memory_usage() override; private: int nvalues; diff --git a/src/fix_ave_correlate.h b/src/fix_ave_correlate.h index 6dde75c0d3..46781da8c5 100644 --- a/src/fix_ave_correlate.h +++ b/src/fix_ave_correlate.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class FixAveCorrelate : public Fix { public: FixAveCorrelate(class LAMMPS *, int, char **); - ~FixAveCorrelate(); - int setmask(); - void init(); - void setup(int); - void end_of_step(); - double compute_array(int, int); + ~FixAveCorrelate() override; + int setmask() override; + void init() override; + void setup(int) override; + void end_of_step() override; + double compute_array(int, int) override; private: int me, nvalues; diff --git a/src/fix_ave_histo.h b/src/fix_ave_histo.h index ef64ad74ff..cf9f11a8e5 100644 --- a/src/fix_ave_histo.h +++ b/src/fix_ave_histo.h @@ -27,13 +27,13 @@ namespace LAMMPS_NS { class FixAveHisto : public Fix { public: FixAveHisto(class LAMMPS *, int, char **); - virtual ~FixAveHisto(); - int setmask(); - void init(); - void setup(int); - virtual void end_of_step(); - double compute_vector(int); - double compute_array(int, int); + ~FixAveHisto() override; + int setmask() override; + void init() override; + void setup(int) override; + void end_of_step() override; + double compute_vector(int) override; + double compute_array(int, int) override; protected: int me, nvalues; diff --git a/src/fix_ave_histo_weight.h b/src/fix_ave_histo_weight.h index cd1d1c0465..95a96b13bb 100644 --- a/src/fix_ave_histo_weight.h +++ b/src/fix_ave_histo_weight.h @@ -27,8 +27,8 @@ namespace LAMMPS_NS { class FixAveHistoWeight : public FixAveHisto { public: FixAveHistoWeight(class LAMMPS *, int, char **); - ~FixAveHistoWeight() {} - void end_of_step(); + + void end_of_step() override; private: void bin_one_weights(double, double); diff --git a/src/fix_ave_time.h b/src/fix_ave_time.h index 3a26dd6d70..01b6440e5c 100644 --- a/src/fix_ave_time.h +++ b/src/fix_ave_time.h @@ -27,14 +27,14 @@ namespace LAMMPS_NS { class FixAveTime : public Fix { public: FixAveTime(class LAMMPS *, int, char **); - ~FixAveTime(); - int setmask(); - void init(); - void setup(int); - void end_of_step(); - double compute_scalar(); - double compute_vector(int); - double compute_array(int, int); + ~FixAveTime() override; + int setmask() override; + void init() override; + void setup(int) override; + void end_of_step() override; + double compute_scalar() override; + double compute_vector(int) override; + double compute_array(int, int) override; private: int me, nvalues; diff --git a/src/fix_aveforce.h b/src/fix_aveforce.h index c9e7735a42..88c83064b0 100644 --- a/src/fix_aveforce.h +++ b/src/fix_aveforce.h @@ -27,15 +27,15 @@ namespace LAMMPS_NS { class FixAveForce : public Fix { public: FixAveForce(class LAMMPS *, int, char **); - ~FixAveForce(); - int setmask(); - void init(); - void setup(int); - void min_setup(int); - void post_force(int); - void post_force_respa(int, int, int); - void min_post_force(int); - double compute_vector(int); + ~FixAveForce() override; + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void min_post_force(int) override; + double compute_vector(int) override; private: double xvalue, yvalue, zvalue; diff --git a/src/fix_balance.h b/src/fix_balance.h index 02e4a159a9..f74ae2dc69 100644 --- a/src/fix_balance.h +++ b/src/fix_balance.h @@ -27,17 +27,17 @@ namespace LAMMPS_NS { class FixBalance : public Fix { public: FixBalance(class LAMMPS *, int, char **); - ~FixBalance(); - int setmask(); - void post_constructor(); - void init(); - void setup(int); - void setup_pre_exchange(); - void pre_exchange(); - void pre_neighbor(); - double compute_scalar(); - double compute_vector(int); - double memory_usage(); + ~FixBalance() override; + int setmask() override; + void post_constructor() override; + void init() override; + void setup(int) override; + void setup_pre_exchange() override; + void pre_exchange() override; + void pre_neighbor() override; + double compute_scalar() override; + double compute_vector(int) override; + double memory_usage() override; private: int nevery, lbstyle, nitermax; diff --git a/src/fix_box_relax.h b/src/fix_box_relax.h index 228f1ad88a..00fd77d9a2 100644 --- a/src/fix_box_relax.h +++ b/src/fix_box_relax.h @@ -27,21 +27,21 @@ namespace LAMMPS_NS { class FixBoxRelax : public Fix { public: FixBoxRelax(class LAMMPS *, int, char **); - ~FixBoxRelax(); - int setmask(); - void init(); + ~FixBoxRelax() override; + int setmask() override; + void init() override; - double min_energy(double *); - void min_store(); - void min_clearstore(); - void min_pushstore(); - void min_popstore(); - int min_reset_ref(); - void min_step(double, double *); - double max_alpha(double *); - int min_dof(); + double min_energy(double *) override; + void min_store() override; + void min_clearstore() override; + void min_pushstore() override; + void min_popstore() override; + int min_reset_ref() override; + void min_step(double, double *) override; + double max_alpha(double *) override; + int min_dof() override; - int modify_param(int, char **); + int modify_param(int, char **) override; private: int p_flag[6]; @@ -89,7 +89,7 @@ class FixBoxRelax : public Fix { void compute_deviatoric(); double compute_strain_energy(); void compute_press_target(); - double compute_scalar(); + double compute_scalar() override; }; } // namespace LAMMPS_NS diff --git a/src/fix_deform.h b/src/fix_deform.h index c1becf58f9..e090490eca 100644 --- a/src/fix_deform.h +++ b/src/fix_deform.h @@ -30,14 +30,14 @@ class FixDeform : public Fix { int dimflag[6]; // which dims are deformed FixDeform(class LAMMPS *, int, char **); - virtual ~FixDeform(); - int setmask(); - void init(); - virtual void pre_exchange(); - virtual void end_of_step(); - virtual void write_restart(FILE *); - virtual void restart(char *buf); - double memory_usage(); + ~FixDeform() override; + int setmask() override; + void init() override; + void pre_exchange() override; + void end_of_step() override; + void write_restart(FILE *) override; + void restart(char *buf) override; + double memory_usage() override; protected: int triclinic, scaleflag, flipflag; diff --git a/src/fix_deposit.h b/src/fix_deposit.h index cc7d482fb0..29f7cbfa43 100644 --- a/src/fix_deposit.h +++ b/src/fix_deposit.h @@ -27,14 +27,14 @@ namespace LAMMPS_NS { class FixDeposit : public Fix { public: FixDeposit(class LAMMPS *, int, char **); - ~FixDeposit(); - int setmask(); - void init(); - void setup_pre_exchange(); - void pre_exchange(); - void write_restart(FILE *); - void restart(char *); - void *extract(const char *, int &); + ~FixDeposit() override; + int setmask() override; + void init() override; + void setup_pre_exchange() override; + void pre_exchange() override; + void write_restart(FILE *) override; + void restart(char *) override; + void *extract(const char *, int &) override; private: int ninsert, ntype, nfreq, seed; diff --git a/src/fix_deprecated.h b/src/fix_deprecated.h index a2260ad652..7bbaef4d54 100644 --- a/src/fix_deprecated.h +++ b/src/fix_deprecated.h @@ -30,9 +30,9 @@ namespace LAMMPS_NS { class FixDeprecated : public Fix { public: FixDeprecated(class LAMMPS *, int, char **); - ~FixDeprecated() {} - int setmask() { return 0; } - void init() {} + + int setmask() override { return 0; } + void init() override {} }; } // namespace LAMMPS_NS diff --git a/src/fix_dt_reset.h b/src/fix_dt_reset.h index 01cca3b41f..533e94b80c 100644 --- a/src/fix_dt_reset.h +++ b/src/fix_dt_reset.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class FixDtReset : public Fix { public: FixDtReset(class LAMMPS *, int, char **); - ~FixDtReset() {} - int setmask(); - void init(); - void setup(int); - void end_of_step(); - double compute_scalar(); + + int setmask() override; + void init() override; + void setup(int) override; + void end_of_step() override; + double compute_scalar() override; private: bigint laststep; diff --git a/src/fix_dummy.h b/src/fix_dummy.h index 970e9fb23a..05be520a32 100644 --- a/src/fix_dummy.h +++ b/src/fix_dummy.h @@ -27,8 +27,8 @@ namespace LAMMPS_NS { class FixDummy : public Fix { public: FixDummy(class LAMMPS *, int, char **); - virtual ~FixDummy() {} - int setmask(); + + int setmask() override; protected: int initial_integrate_flag, final_integrate_flag; diff --git a/src/fix_efield.h b/src/fix_efield.h index 20201518ab..9148a94d99 100644 --- a/src/fix_efield.h +++ b/src/fix_efield.h @@ -28,17 +28,17 @@ class FixEfield : public Fix { friend class FixQEqReaxFF; public: FixEfield(class LAMMPS *, int, char **); - ~FixEfield(); - int setmask(); - void init(); - void setup(int); - void min_setup(int); - void post_force(int); - void post_force_respa(int, int, int); - void min_post_force(int); - double memory_usage(); - double compute_scalar(); - double compute_vector(int); + ~FixEfield() override; + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void min_post_force(int) override; + double memory_usage() override; + double compute_scalar() override; + double compute_vector(int) override; enum { NONE, CONSTANT, EQUAL, ATOM }; diff --git a/src/fix_enforce2d.h b/src/fix_enforce2d.h index afaa28f06f..5826657f40 100644 --- a/src/fix_enforce2d.h +++ b/src/fix_enforce2d.h @@ -27,14 +27,14 @@ namespace LAMMPS_NS { class FixEnforce2D : public Fix { public: FixEnforce2D(class LAMMPS *, int, char **); - ~FixEnforce2D(); - int setmask(); - void init(); - void setup(int); - void min_setup(int); - void post_force(int); - void post_force_respa(int, int, int); - void min_post_force(int); + ~FixEnforce2D() override; + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void min_post_force(int) override; protected: int nfixlist; diff --git a/src/fix_evaporate.h b/src/fix_evaporate.h index 6005a80257..e350c91608 100644 --- a/src/fix_evaporate.h +++ b/src/fix_evaporate.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class FixEvaporate : public Fix { public: FixEvaporate(class LAMMPS *, int, char **); - ~FixEvaporate(); - int setmask(); - void init(); - void pre_exchange(); - double compute_scalar(); - double memory_usage(); + ~FixEvaporate() override; + int setmask() override; + void init() override; + void pre_exchange() override; + double compute_scalar() override; + double memory_usage() override; private: int nevery, nflux, iregion; diff --git a/src/fix_external.h b/src/fix_external.h index 16db5d5015..efc017708c 100644 --- a/src/fix_external.h +++ b/src/fix_external.h @@ -29,17 +29,17 @@ class FixExternal : public Fix { double **fexternal; FixExternal(class LAMMPS *, int, char **); - ~FixExternal(); - int setmask(); - void init(); - void setup(int); - void setup_pre_reverse(int, int); - void min_setup(int); - void pre_reverse(int, int); - void post_force(int); - void min_post_force(int); - double compute_scalar(); - double compute_vector(int); + ~FixExternal() override; + int setmask() override; + void init() override; + void setup(int) override; + void setup_pre_reverse(int, int) override; + void min_setup(int) override; + void pre_reverse(int, int) override; + void post_force(int) override; + void min_post_force(int) override; + double compute_scalar() override; + double compute_vector(int) override; void set_energy_global(double); void set_virial_global(double *); @@ -48,16 +48,16 @@ class FixExternal : public Fix { void set_vector_length(int); void set_vector(int, double); - double memory_usage(); - void grow_arrays(int); - void copy_arrays(int, int, int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; typedef void (*FnPtr)(void *, bigint, int, tagint *, double **, double **); void set_callback(FnPtr, void *); - void *extract(const char *, int &); + void *extract(const char *, int &) override; private: int mode, ncall, napply, eflag_caller; diff --git a/src/fix_gravity.h b/src/fix_gravity.h index 389c5a1af1..e4309501ef 100644 --- a/src/fix_gravity.h +++ b/src/fix_gravity.h @@ -29,14 +29,14 @@ class FixGravity : public Fix { public: FixGravity(class LAMMPS *, int, char **); - virtual ~FixGravity(); - int setmask(); - void init(); - void setup(int); - virtual void post_force(int); - virtual void post_force_respa(int, int, int); - double compute_scalar(); - void *extract(const char *, int &); + ~FixGravity() override; + int setmask() override; + void init() override; + void setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + double compute_scalar() override; + void *extract(const char *, int &) override; enum { CONSTANT, EQUAL }; protected: diff --git a/src/fix_group.h b/src/fix_group.h index b94cb1ee21..ffa2afcfc3 100644 --- a/src/fix_group.h +++ b/src/fix_group.h @@ -27,13 +27,13 @@ namespace LAMMPS_NS { class FixGroup : public Fix { public: FixGroup(class LAMMPS *, int, char **); - ~FixGroup(); - int setmask(); - void init(); - void setup(int); - void post_integrate(); - void post_integrate_respa(int, int); - void *extract(const char *, int &); + ~FixGroup() override; + int setmask() override; + void init() override; + void setup(int) override; + void post_integrate() override; + void post_integrate_respa(int, int) override; + void *extract(const char *, int &) override; private: int gbit, gbitinverse; diff --git a/src/fix_halt.h b/src/fix_halt.h index 73eab2d930..1776e029e9 100644 --- a/src/fix_halt.h +++ b/src/fix_halt.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class FixHalt : public Fix { public: FixHalt(class LAMMPS *, int, char **); - ~FixHalt(); - int setmask(); - void init(); - void end_of_step(); - void min_post_force(int); - void post_run(); + ~FixHalt() override; + int setmask() override; + void init() override; + void end_of_step() override; + void min_post_force(int) override; + void post_run() override; private: int attribute, operation, eflag, msgflag, ivar; diff --git a/src/fix_heat.h b/src/fix_heat.h index a6a0e00813..5d1d9a5dfd 100644 --- a/src/fix_heat.h +++ b/src/fix_heat.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class FixHeat : public Fix { public: FixHeat(class LAMMPS *, int, char **); - ~FixHeat(); - int setmask(); - void init(); - void end_of_step(); - double compute_scalar(); - double memory_usage(); + ~FixHeat() override; + int setmask() override; + void init() override; + void end_of_step() override; + double compute_scalar() override; + double memory_usage() override; private: int iregion; diff --git a/src/fix_indent.h b/src/fix_indent.h index e8b9d7055f..1fbfb2a785 100644 --- a/src/fix_indent.h +++ b/src/fix_indent.h @@ -27,16 +27,16 @@ namespace LAMMPS_NS { class FixIndent : public Fix { public: FixIndent(class LAMMPS *, int, char **); - ~FixIndent(); - int setmask(); - void init(); - void setup(int); - void min_setup(int); - void post_force(int); - void post_force_respa(int, int, int); - void min_post_force(int); - double compute_scalar(); - double compute_vector(int); + ~FixIndent() override; + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void min_post_force(int) override; + double compute_scalar() override; + double compute_vector(int) override; private: int istyle, scaleflag, side; diff --git a/src/fix_langevin.h b/src/fix_langevin.h index 2c881d9329..ca8ded2d0f 100644 --- a/src/fix_langevin.h +++ b/src/fix_langevin.h @@ -27,24 +27,24 @@ namespace LAMMPS_NS { class FixLangevin : public Fix { public: FixLangevin(class LAMMPS *, int, char **); - virtual ~FixLangevin(); - int setmask(); - void init(); - void setup(int); - virtual void initial_integrate(int); - virtual void post_force(int); - void post_force_respa(int, int, int); - virtual void end_of_step(); - void reset_target(double); - void reset_dt(); - int modify_param(int, char **); - virtual double compute_scalar(); - double memory_usage(); - virtual void *extract(const char *, int &); - void grow_arrays(int); - void copy_arrays(int, int, int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); + ~FixLangevin() override; + int setmask() override; + void init() override; + void setup(int) override; + void initial_integrate(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void end_of_step() override; + void reset_target(double) override; + void reset_dt() override; + int modify_param(int, char **) override; + double compute_scalar() override; + double memory_usage() override; + void *extract(const char *, int &) override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; protected: int gjfflag, nvalues, osflag, oflag, tallyflag, zeroflag, tbiasflag; diff --git a/src/fix_lineforce.h b/src/fix_lineforce.h index 8151fc86db..b5564a521d 100644 --- a/src/fix_lineforce.h +++ b/src/fix_lineforce.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class FixLineForce : public Fix { public: FixLineForce(class LAMMPS *, int, char **); - int setmask(); - void setup(int); - void min_setup(int); - void post_force(int); - void post_force_respa(int, int, int); - void min_post_force(int); + int setmask() override; + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void min_post_force(int) override; private: double xdir, ydir, zdir; diff --git a/src/fix_momentum.h b/src/fix_momentum.h index 43d3d174be..4adbf80be8 100644 --- a/src/fix_momentum.h +++ b/src/fix_momentum.h @@ -27,9 +27,9 @@ namespace LAMMPS_NS { class FixMomentum : public Fix { public: FixMomentum(class LAMMPS *, int, char **); - int setmask(); - void init(); - void end_of_step(); + int setmask() override; + void init() override; + void end_of_step() override; protected: int linear, angular, rescale; diff --git a/src/fix_move.h b/src/fix_move.h index 02f573e000..b3579db0b7 100644 --- a/src/fix_move.h +++ b/src/fix_move.h @@ -27,28 +27,28 @@ namespace LAMMPS_NS { class FixMove : public Fix { public: FixMove(class LAMMPS *, int, char **); - ~FixMove(); - int setmask(); - void init(); - void initial_integrate(int); - void final_integrate(); - void initial_integrate_respa(int, int, int); - void final_integrate_respa(int, int); + ~FixMove() override; + 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; - double memory_usage(); - void write_restart(FILE *); - void restart(char *); - void grow_arrays(int); - void copy_arrays(int, int, int); - void set_arrays(int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); - int pack_restart(int, double *); - void unpack_restart(int, int); - int maxsize_restart(); - int size_restart(int); + double memory_usage() override; + void write_restart(FILE *) override; + void restart(char *) override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + void set_arrays(int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + int pack_restart(int, double *) override; + void unpack_restart(int, int) override; + int maxsize_restart() override; + int size_restart(int) override; - void reset_dt(); + void reset_dt() override; private: char *xvarstr, *yvarstr, *zvarstr, *vxvarstr, *vyvarstr, *vzvarstr; diff --git a/src/fix_neigh_history.h b/src/fix_neigh_history.h index 1405c05731..ba31f7cd3c 100644 --- a/src/fix_neigh_history.h +++ b/src/fix_neigh_history.h @@ -34,31 +34,31 @@ class FixNeighHistory : public Fix { class Pair *pair; // ptr to pair style that uses neighbor history FixNeighHistory(class LAMMPS *, int, char **); - ~FixNeighHistory(); - int setmask(); - void init(); - void setup_post_neighbor(); - void pre_exchange(); - void min_pre_exchange(); - virtual void post_neighbor(); - void min_post_neighbor(); - void post_run(); + ~FixNeighHistory() override; + int setmask() override; + void init() override; + void setup_post_neighbor() override; + void pre_exchange() override; + void min_pre_exchange() override; + void post_neighbor() override; + void min_post_neighbor() override; + void post_run() override; - double memory_usage(); - void grow_arrays(int); - void copy_arrays(int, int, int); - void set_arrays(int); + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + void set_arrays(int) override; - int pack_reverse_comm_size(int, int); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); - void write_restart(FILE *); - int pack_restart(int, double *); - void unpack_restart(int, int); - int size_restart(int); - int maxsize_restart(); + int pack_reverse_comm_size(int, int) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + void write_restart(FILE *) override; + int pack_restart(int, double *) override; + void unpack_restart(int, int) override; + int size_restart(int) override; + int maxsize_restart() override; protected: int newton_pair; // same as force setting diff --git a/src/fix_nh.h b/src/fix_nh.h index 1ec6bec2f8..53fc815bab 100644 --- a/src/fix_nh.h +++ b/src/fix_nh.h @@ -21,26 +21,26 @@ namespace LAMMPS_NS { class FixNH : public Fix { public: FixNH(class LAMMPS *, int, char **); - virtual ~FixNH(); - 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 *); + ~FixNH() override; + 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; diff --git a/src/fix_nh_sphere.h b/src/fix_nh_sphere.h index d07e63fb77..5e14bf466c 100644 --- a/src/fix_nh_sphere.h +++ b/src/fix_nh_sphere.h @@ -21,15 +21,15 @@ namespace LAMMPS_NS { class FixNHSphere : public FixNH { public: FixNHSphere(class LAMMPS *, int, char **); - virtual ~FixNHSphere() {} - void init(); + + void init() override; protected: double inertia; - 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 diff --git a/src/fix_nph.h b/src/fix_nph.h index f485bd9b81..576b1afea1 100644 --- a/src/fix_nph.h +++ b/src/fix_nph.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixNPH : public FixNH { public: FixNPH(class LAMMPS *, int, char **); - ~FixNPH() {} }; } // namespace LAMMPS_NS diff --git a/src/fix_nph_sphere.h b/src/fix_nph_sphere.h index 6376176b20..32a65b66ae 100644 --- a/src/fix_nph_sphere.h +++ b/src/fix_nph_sphere.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixNPHSphere : public FixNHSphere { public: FixNPHSphere(class LAMMPS *, int, char **); - ~FixNPHSphere() {} }; } // namespace LAMMPS_NS diff --git a/src/fix_npt.h b/src/fix_npt.h index 582467c4d0..9d7b5ad49e 100644 --- a/src/fix_npt.h +++ b/src/fix_npt.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixNPT : public FixNH { public: FixNPT(class LAMMPS *, int, char **); - ~FixNPT() {} }; } // namespace LAMMPS_NS diff --git a/src/fix_npt_sphere.h b/src/fix_npt_sphere.h index b53328b5f8..59f66f47f3 100644 --- a/src/fix_npt_sphere.h +++ b/src/fix_npt_sphere.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixNPTSphere : public FixNHSphere { public: FixNPTSphere(class LAMMPS *, int, char **); - ~FixNPTSphere() {} }; } // namespace LAMMPS_NS diff --git a/src/fix_nve.h b/src/fix_nve.h index 864da8596c..01e52413fa 100644 --- a/src/fix_nve.h +++ b/src/fix_nve.h @@ -27,14 +27,14 @@ namespace LAMMPS_NS { class FixNVE : public Fix { public: FixNVE(class LAMMPS *, int, char **); - virtual ~FixNVE() {} - int setmask(); - virtual void init(); - virtual void initial_integrate(int); - virtual void final_integrate(); - virtual void initial_integrate_respa(int, int, int); - virtual void final_integrate_respa(int, int); - virtual void reset_dt(); + + int setmask() override; + void init() override; + void initial_integrate(int) override; + void final_integrate() override; + void initial_integrate_respa(int, int, int) override; + void final_integrate_respa(int, int) override; + void reset_dt() override; protected: double dtv, dtf; diff --git a/src/fix_nve_limit.h b/src/fix_nve_limit.h index d23b680796..bb548d7004 100644 --- a/src/fix_nve_limit.h +++ b/src/fix_nve_limit.h @@ -27,14 +27,14 @@ namespace LAMMPS_NS { class FixNVELimit : public Fix { public: FixNVELimit(class LAMMPS *, int, char **); - int setmask(); - void init(); - void initial_integrate(int); - void final_integrate(); - void initial_integrate_respa(int, int, int); - void final_integrate_respa(int, int); - void reset_dt(); - double compute_scalar(); + 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; + double compute_scalar() override; private: double dtv, dtf; diff --git a/src/fix_nve_noforce.h b/src/fix_nve_noforce.h index fe3081aac2..362f62bb44 100644 --- a/src/fix_nve_noforce.h +++ b/src/fix_nve_noforce.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class FixNVENoforce : public Fix { public: FixNVENoforce(class LAMMPS *, int, char **); - int setmask(); - virtual void init(); - virtual void initial_integrate(int); - void initial_integrate_respa(int, int, int); - void reset_dt(); + int setmask() override; + void init() override; + void initial_integrate(int) override; + void initial_integrate_respa(int, int, int) override; + void reset_dt() override; protected: double dtv; diff --git a/src/fix_nve_sphere.h b/src/fix_nve_sphere.h index 7eb6b39b35..86bcfb6b36 100644 --- a/src/fix_nve_sphere.h +++ b/src/fix_nve_sphere.h @@ -27,10 +27,10 @@ namespace LAMMPS_NS { class FixNVESphere : public FixNVE { public: FixNVESphere(class LAMMPS *, int, char **); - virtual ~FixNVESphere() {} - void init(); - virtual void initial_integrate(int); - virtual void final_integrate(); + + void init() override; + void initial_integrate(int) override; + void final_integrate() override; protected: double inertia; diff --git a/src/fix_nvt.h b/src/fix_nvt.h index f6ab23b96b..375055ac6f 100644 --- a/src/fix_nvt.h +++ b/src/fix_nvt.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixNVT : public FixNH { public: FixNVT(class LAMMPS *, int, char **); - ~FixNVT() {} }; } // namespace LAMMPS_NS diff --git a/src/fix_nvt_sllod.h b/src/fix_nvt_sllod.h index dbd15458ca..57e17cf3b8 100644 --- a/src/fix_nvt_sllod.h +++ b/src/fix_nvt_sllod.h @@ -27,13 +27,13 @@ namespace LAMMPS_NS { class FixNVTSllod : public FixNH { public: FixNVTSllod(class LAMMPS *, int, char **); - ~FixNVTSllod() {} - void init(); + + void init() override; private: int nondeformbias; - void nh_v_temp(); + void nh_v_temp() override; }; } // namespace LAMMPS_NS diff --git a/src/fix_nvt_sphere.h b/src/fix_nvt_sphere.h index e0d7716fdb..d2e89bdd0c 100644 --- a/src/fix_nvt_sphere.h +++ b/src/fix_nvt_sphere.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class FixNVTSphere : public FixNHSphere { public: FixNVTSphere(class LAMMPS *, int, char **); - ~FixNVTSphere() {} }; } // namespace LAMMPS_NS diff --git a/src/fix_planeforce.h b/src/fix_planeforce.h index 12a8b3f34a..8253192777 100644 --- a/src/fix_planeforce.h +++ b/src/fix_planeforce.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class FixPlaneForce : public Fix { public: FixPlaneForce(class LAMMPS *, int, char **); - int setmask(); - void setup(int); - void min_setup(int); - void post_force(int); - void post_force_respa(int, int, int); - void min_post_force(int); + int setmask() override; + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void min_post_force(int) override; private: double xdir, ydir, zdir; diff --git a/src/fix_press_berendsen.h b/src/fix_press_berendsen.h index 806e6698f7..33399605fd 100644 --- a/src/fix_press_berendsen.h +++ b/src/fix_press_berendsen.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class FixPressBerendsen : public Fix { public: FixPressBerendsen(class LAMMPS *, int, char **); - ~FixPressBerendsen(); - int setmask(); - void init(); - void setup(int); - void end_of_step(); - int modify_param(int, char **); + ~FixPressBerendsen() override; + int setmask() override; + void init() override; + void setup(int) override; + void end_of_step() override; + int modify_param(int, char **) override; protected: int dimension, which; diff --git a/src/fix_print.h b/src/fix_print.h index 82e72d725a..079c339798 100644 --- a/src/fix_print.h +++ b/src/fix_print.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class FixPrint : public Fix { public: FixPrint(class LAMMPS *, int, char **); - ~FixPrint(); - void init(); - void setup(int); - int setmask(); - void end_of_step(); + ~FixPrint() override; + void init() override; + void setup(int) override; + int setmask() override; + void end_of_step() override; private: int me, screenflag; diff --git a/src/fix_property_atom.h b/src/fix_property_atom.h index 8580865e59..500ad6316c 100644 --- a/src/fix_property_atom.h +++ b/src/fix_property_atom.h @@ -27,28 +27,28 @@ namespace LAMMPS_NS { class FixPropertyAtom : public Fix { public: FixPropertyAtom(class LAMMPS *, int, char **); - virtual ~FixPropertyAtom(); - int setmask(); - void init(); + ~FixPropertyAtom() override; + int setmask() override; + void init() override; - void read_data_section(char *, int, char *, tagint); - bigint read_data_skip_lines(char *); - void write_data_section_size(int, int &, int &); - void write_data_section_pack(int, double **); - void write_data_section_keyword(int, FILE *); - void write_data_section(int, FILE *, int, double **, int); + void read_data_section(char *, int, char *, tagint) override; + bigint read_data_skip_lines(char *) override; + void write_data_section_size(int, int &, int &) override; + void write_data_section_pack(int, double **) override; + void write_data_section_keyword(int, FILE *) override; + void write_data_section(int, FILE *, int, double **, int) override; - virtual void grow_arrays(int); - void copy_arrays(int, int, int); - int pack_border(int, int *, double *); - int unpack_border(int, int, double *); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); - int pack_restart(int, double *); - void unpack_restart(int, int); - int size_restart(int); - int maxsize_restart(); - double memory_usage(); + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_border(int, int *, double *) override; + int unpack_border(int, int, double *) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + int pack_restart(int, double *) override; + void unpack_restart(int, int) override; + int size_restart(int) override; + int maxsize_restart() override; + double memory_usage() override; protected: int nvalue, border; diff --git a/src/fix_read_restart.h b/src/fix_read_restart.h index 8431803f05..49d03db052 100644 --- a/src/fix_read_restart.h +++ b/src/fix_read_restart.h @@ -30,14 +30,14 @@ class FixReadRestart : public Fix { double **extra; FixReadRestart(class LAMMPS *, int, char **); - ~FixReadRestart(); - int setmask(); + ~FixReadRestart() override; + int setmask() override; - double memory_usage(); - void grow_arrays(int); - void copy_arrays(int, int, int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; private: int nextra; // max number of extra values for any atom diff --git a/src/fix_recenter.h b/src/fix_recenter.h index 53fe65100b..a2c7c9866d 100644 --- a/src/fix_recenter.h +++ b/src/fix_recenter.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class FixRecenter : public Fix { public: FixRecenter(class LAMMPS *, int, char **); - int setmask(); - void init(); - void initial_integrate(int); - void initial_integrate_respa(int, int, int); - double compute_scalar(); - double compute_vector(int); + int setmask() override; + void init() override; + void initial_integrate(int) override; + void initial_integrate_respa(int, int, int) override; + double compute_scalar() override; + double compute_vector(int) override; private: int group2bit, scaleflag; diff --git a/src/fix_respa.h b/src/fix_respa.h index a1c477c6d7..b6b80711de 100644 --- a/src/fix_respa.h +++ b/src/fix_respa.h @@ -31,15 +31,15 @@ class FixRespa : public Fix { public: FixRespa(class LAMMPS *, int, char **); - ~FixRespa(); - int setmask(); - void init() {} + ~FixRespa() override; + int setmask() override; + void init() override {} - double memory_usage(); - void grow_arrays(int); - void copy_arrays(int, int, int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; private: int nlevels; diff --git a/src/fix_restrain.h b/src/fix_restrain.h index d42d639204..607927a5fb 100644 --- a/src/fix_restrain.h +++ b/src/fix_restrain.h @@ -27,16 +27,16 @@ namespace LAMMPS_NS { class FixRestrain : public Fix { public: FixRestrain(class LAMMPS *, int, char **); - ~FixRestrain(); - int setmask(); - void init(); - void setup(int); - void min_setup(int); - void post_force(int); - void post_force_respa(int, int, int); - void min_post_force(int); - double compute_scalar(); - double compute_vector(int); + ~FixRestrain() override; + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void min_post_force(int) override; + double compute_scalar() override; + double compute_vector(int) override; private: int ilevel_respa; diff --git a/src/fix_setforce.h b/src/fix_setforce.h index aed39abaf0..ea242ba954 100644 --- a/src/fix_setforce.h +++ b/src/fix_setforce.h @@ -27,17 +27,17 @@ namespace LAMMPS_NS { class FixSetForce : public Fix { public: FixSetForce(class LAMMPS *, int, char **); - virtual ~FixSetForce(); - int setmask(); - virtual void init(); - void setup(int); - void min_setup(int); - virtual void post_force(int); - void post_force_respa(int, int, int); - void min_post_force(int); - double compute_vector(int); + ~FixSetForce() override; + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void min_post_force(int) override; + double compute_vector(int) override; - double memory_usage(); + double memory_usage() override; protected: double xvalue, yvalue, zvalue; diff --git a/src/fix_spring.h b/src/fix_spring.h index d8a2a30307..4180658a2f 100644 --- a/src/fix_spring.h +++ b/src/fix_spring.h @@ -27,16 +27,16 @@ namespace LAMMPS_NS { class FixSpring : public Fix { public: FixSpring(class LAMMPS *, int, char **); - ~FixSpring(); - int setmask(); - void init(); - void setup(int); - void min_setup(int); - void post_force(int); - void post_force_respa(int, int, int); - void min_post_force(int); - double compute_scalar(); - double compute_vector(int); + ~FixSpring() override; + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void min_post_force(int) override; + double compute_scalar() override; + double compute_vector(int) override; private: double xc, yc, zc, r0; diff --git a/src/fix_spring_chunk.h b/src/fix_spring_chunk.h index 53f4c67810..181bced917 100644 --- a/src/fix_spring_chunk.h +++ b/src/fix_spring_chunk.h @@ -27,17 +27,17 @@ namespace LAMMPS_NS { class FixSpringChunk : public Fix { public: FixSpringChunk(class LAMMPS *, int, char **); - ~FixSpringChunk(); - int setmask(); - void init(); - void setup(int); - void min_setup(int); - void post_force(int); - void post_force_respa(int, int, int); - void min_post_force(int); - void write_restart(FILE *); - void restart(char *); - double compute_scalar(); + ~FixSpringChunk() override; + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void min_post_force(int) override; + void write_restart(FILE *) override; + void restart(char *) override; + double compute_scalar() override; private: int ilevel_respa; diff --git a/src/fix_spring_self.h b/src/fix_spring_self.h index 03c12ca13b..ca957fd845 100644 --- a/src/fix_spring_self.h +++ b/src/fix_spring_self.h @@ -27,25 +27,25 @@ namespace LAMMPS_NS { class FixSpringSelf : public Fix { public: FixSpringSelf(class LAMMPS *, int, char **); - ~FixSpringSelf(); - int setmask(); - void init(); - void setup(int); - void min_setup(int); - void post_force(int); - void post_force_respa(int, int, int); - void min_post_force(int); - double compute_scalar(); + ~FixSpringSelf() override; + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void min_post_force(int) override; + double compute_scalar() override; - double memory_usage(); - void grow_arrays(int); - void copy_arrays(int, int, int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); - int pack_restart(int, double *); - void unpack_restart(int, int); - int size_restart(int); - int maxsize_restart(); + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + int pack_restart(int, double *) override; + void unpack_restart(int, int) override; + int size_restart(int) override; + int maxsize_restart() override; private: double k, espring; diff --git a/src/fix_store.h b/src/fix_store.h index a30e2d5c1f..d1b58db155 100644 --- a/src/fix_store.h +++ b/src/fix_store.h @@ -33,23 +33,23 @@ class FixStore : public Fix { int disable; // 1 if operations (except grow) are currently disabled FixStore(class LAMMPS *, int, char **); - ~FixStore(); - int setmask(); + ~FixStore() override; + int setmask() override; void reset_global(int, int); - void write_restart(FILE *); - void restart(char *); + void write_restart(FILE *) override; + void restart(char *) override; - void grow_arrays(int); - void copy_arrays(int, int, int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); - int pack_restart(int, double *); - void unpack_restart(int, int); - int size_restart(int); - int maxsize_restart(); + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + int pack_restart(int, double *) override; + void unpack_restart(int, int) override; + int size_restart(int) override; + int maxsize_restart() override; - double memory_usage(); + double memory_usage() override; private: int flavor; // GLOBAL or PERATOM diff --git a/src/fix_store_force.h b/src/fix_store_force.h index 31b042b5ca..adbd3573c4 100644 --- a/src/fix_store_force.h +++ b/src/fix_store_force.h @@ -27,15 +27,15 @@ namespace LAMMPS_NS { class FixStoreForce : public Fix { public: FixStoreForce(class LAMMPS *, int, char **); - ~FixStoreForce(); - int setmask(); - void init(); - void setup(int); - void min_setup(int); - void post_force(int); - void post_force_respa(int, int, int); - void min_post_force(int); - double memory_usage(); + ~FixStoreForce() override; + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void min_post_force(int) override; + double memory_usage() override; private: int nlevels_respa; diff --git a/src/fix_store_state.h b/src/fix_store_state.h index 59c17341f1..b7237dbc14 100644 --- a/src/fix_store_state.h +++ b/src/fix_store_state.h @@ -27,21 +27,21 @@ namespace LAMMPS_NS { class FixStoreState : public Fix { public: FixStoreState(class LAMMPS *, int, char **); - ~FixStoreState(); - int setmask(); - void init(); - void setup(int); - void end_of_step(); + ~FixStoreState() override; + int setmask() override; + void init() override; + void setup(int) override; + void end_of_step() override; - double memory_usage(); - void grow_arrays(int); - void copy_arrays(int, int, int); - int pack_exchange(int, double *); - int unpack_exchange(int, double *); - int pack_restart(int, double *); - void unpack_restart(int, int); - int size_restart(int); - int maxsize_restart(); + double memory_usage() override; + void grow_arrays(int) override; + void copy_arrays(int, int, int) override; + int pack_exchange(int, double *) override; + int unpack_exchange(int, double *) override; + int pack_restart(int, double *) override; + void unpack_restart(int, int) override; + int size_restart(int) override; + int maxsize_restart() override; private: int nvalues; diff --git a/src/fix_temp_berendsen.h b/src/fix_temp_berendsen.h index f45a5e7f03..ec6381086a 100644 --- a/src/fix_temp_berendsen.h +++ b/src/fix_temp_berendsen.h @@ -27,16 +27,16 @@ namespace LAMMPS_NS { class FixTempBerendsen : public Fix { public: FixTempBerendsen(class LAMMPS *, int, char **); - ~FixTempBerendsen(); - int setmask(); - void init(); - void end_of_step(); - int modify_param(int, char **); - void reset_target(double); - double compute_scalar(); - void write_restart(FILE *); - void restart(char *buf); - virtual void *extract(const char *, int &); + ~FixTempBerendsen() override; + int setmask() override; + void init() override; + void end_of_step() override; + int modify_param(int, char **) override; + void reset_target(double) override; + double compute_scalar() override; + void write_restart(FILE *) override; + void restart(char *buf) override; + void *extract(const char *, int &) override; private: int which; diff --git a/src/fix_temp_rescale.h b/src/fix_temp_rescale.h index c24f35eb34..058cf7cefe 100644 --- a/src/fix_temp_rescale.h +++ b/src/fix_temp_rescale.h @@ -27,16 +27,16 @@ namespace LAMMPS_NS { class FixTempRescale : public Fix { public: FixTempRescale(class LAMMPS *, int, char **); - virtual ~FixTempRescale(); - int setmask(); - void init(); - virtual void end_of_step(); - int modify_param(int, char **); - void reset_target(double); - double compute_scalar(); - void write_restart(FILE *); - void restart(char *buf); - virtual void *extract(const char *, int &); + ~FixTempRescale() override; + int setmask() override; + void init() override; + void end_of_step() override; + int modify_param(int, char **) override; + void reset_target(double) override; + double compute_scalar() override; + void write_restart(FILE *) override; + void restart(char *buf) override; + void *extract(const char *, int &) override; protected: int which; diff --git a/src/fix_thermal_conductivity.h b/src/fix_thermal_conductivity.h index 3f598bce5b..e502e8496a 100644 --- a/src/fix_thermal_conductivity.h +++ b/src/fix_thermal_conductivity.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class FixThermalConductivity : public Fix { public: FixThermalConductivity(class LAMMPS *, int, char **); - ~FixThermalConductivity(); - int setmask(); - void init(); - void end_of_step(); - double compute_scalar(); + ~FixThermalConductivity() override; + int setmask() override; + void init() override; + void end_of_step() override; + double compute_scalar() override; private: int me; diff --git a/src/fix_vector.h b/src/fix_vector.h index 2d82a22d9d..c43e287b4c 100644 --- a/src/fix_vector.h +++ b/src/fix_vector.h @@ -27,13 +27,13 @@ namespace LAMMPS_NS { class FixVector : public Fix { public: FixVector(class LAMMPS *, int, char **); - ~FixVector(); - int setmask(); - void init(); - void setup(int); - void end_of_step(); - double compute_vector(int); - double compute_array(int, int); + ~FixVector() override; + int setmask() override; + void init() override; + void setup(int) override; + void end_of_step() override; + double compute_vector(int) override; + double compute_array(int, int) override; private: int nvalues; diff --git a/src/fix_viscous.h b/src/fix_viscous.h index 08970094bc..0353004911 100644 --- a/src/fix_viscous.h +++ b/src/fix_viscous.h @@ -27,14 +27,14 @@ namespace LAMMPS_NS { class FixViscous : public Fix { public: FixViscous(class LAMMPS *, int, char **); - virtual ~FixViscous(); - int setmask(); - void init(); - void setup(int); - void min_setup(int); - void post_force(int); - void post_force_respa(int, int, int); - void min_post_force(int); + ~FixViscous() override; + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void min_post_force(int) override; protected: double *gamma; diff --git a/src/fix_wall.h b/src/fix_wall.h index 9d44ff4e4c..99086aac6c 100644 --- a/src/fix_wall.h +++ b/src/fix_wall.h @@ -29,17 +29,17 @@ class FixWall : public Fix { char *xstr[6]; FixWall(class LAMMPS *, int, char **); - virtual ~FixWall(); - int setmask(); - virtual void init(); - void setup(int); - void min_setup(int); - void pre_force(int); - void post_force(int); - void post_force_respa(int, int, int); - void min_post_force(int); - double compute_scalar(); - double compute_vector(int); + ~FixWall() override; + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; + void pre_force(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void min_post_force(int) override; + double compute_scalar() override; + double compute_vector(int) override; virtual void precompute(int) = 0; virtual void wall_particle(int, int, double) = 0; diff --git a/src/fix_wall_harmonic.h b/src/fix_wall_harmonic.h index 473504d47d..629f4eede9 100644 --- a/src/fix_wall_harmonic.h +++ b/src/fix_wall_harmonic.h @@ -27,8 +27,8 @@ namespace LAMMPS_NS { class FixWallHarmonic : public FixWall { public: FixWallHarmonic(class LAMMPS *, int, char **); - void precompute(int) {} - void wall_particle(int, int, double); + void precompute(int) override {} + void wall_particle(int, int, double) override; }; } // namespace LAMMPS_NS diff --git a/src/fix_wall_lj1043.h b/src/fix_wall_lj1043.h index 17d5836302..9e09a4b6b9 100644 --- a/src/fix_wall_lj1043.h +++ b/src/fix_wall_lj1043.h @@ -27,8 +27,8 @@ namespace LAMMPS_NS { class FixWallLJ1043 : public FixWall { public: FixWallLJ1043(class LAMMPS *, int, char **); - void precompute(int); - void wall_particle(int, int, double); + void precompute(int) override; + void wall_particle(int, int, double) override; private: double coeff1[6], coeff2[6], coeff3[6], coeff4[6], coeff5[6], coeff6[6], coeff7[6], offset[6]; diff --git a/src/fix_wall_lj126.h b/src/fix_wall_lj126.h index 2ea768ba65..9f9e870fd5 100644 --- a/src/fix_wall_lj126.h +++ b/src/fix_wall_lj126.h @@ -27,8 +27,8 @@ namespace LAMMPS_NS { class FixWallLJ126 : public FixWall { public: FixWallLJ126(class LAMMPS *, int, char **); - void precompute(int); - void wall_particle(int, int, double); + void precompute(int) override; + void wall_particle(int, int, double) override; private: double coeff1[6], coeff2[6], coeff3[6], coeff4[6], offset[6]; diff --git a/src/fix_wall_lj93.h b/src/fix_wall_lj93.h index 4326e7acc0..5f0a90773d 100644 --- a/src/fix_wall_lj93.h +++ b/src/fix_wall_lj93.h @@ -27,8 +27,8 @@ namespace LAMMPS_NS { class FixWallLJ93 : public FixWall { public: FixWallLJ93(class LAMMPS *, int, char **); - void precompute(int); - virtual void wall_particle(int, int, double); + void precompute(int) override; + void wall_particle(int, int, double) override; protected: double coeff1[6], coeff2[6], coeff3[6], coeff4[6], offset[6]; diff --git a/src/fix_wall_morse.h b/src/fix_wall_morse.h index 55ab2c0cd8..973adfeaf8 100644 --- a/src/fix_wall_morse.h +++ b/src/fix_wall_morse.h @@ -27,8 +27,8 @@ namespace LAMMPS_NS { class FixWallMorse : public FixWall { public: FixWallMorse(class LAMMPS *, int, char **); - void precompute(int); - void wall_particle(int, int, double); + void precompute(int) override; + void wall_particle(int, int, double) override; private: double coeff1[6], offset[6]; diff --git a/src/fix_wall_reflect.h b/src/fix_wall_reflect.h index 45b5c8d2d2..d708c07180 100644 --- a/src/fix_wall_reflect.h +++ b/src/fix_wall_reflect.h @@ -30,10 +30,10 @@ class FixWallReflect : public Fix { enum { NONE = 0, EDGE, CONSTANT, VARIABLE }; FixWallReflect(class LAMMPS *, int, char **); - virtual ~FixWallReflect(); - int setmask(); - void init(); - void post_integrate(); + ~FixWallReflect() override; + int setmask() override; + void init() override; + void post_integrate() override; protected: int nwall; diff --git a/src/fix_wall_region.h b/src/fix_wall_region.h index e72ada5301..5da19f6698 100644 --- a/src/fix_wall_region.h +++ b/src/fix_wall_region.h @@ -27,16 +27,16 @@ namespace LAMMPS_NS { class FixWallRegion : public Fix { public: FixWallRegion(class LAMMPS *, int, char **); - ~FixWallRegion(); - int setmask(); - void init(); - void setup(int); - void min_setup(int); - void post_force(int); - void post_force_respa(int, int, int); - void min_post_force(int); - double compute_scalar(); - double compute_vector(int); + ~FixWallRegion() override; + int setmask() override; + void init() override; + void setup(int) override; + void min_setup(int) override; + void post_force(int) override; + void post_force_respa(int, int, int) override; + void min_post_force(int) override; + double compute_scalar() override; + double compute_vector(int) override; private: int style, iregion;