diff --git a/src/COMPRESS/dump_atom_gz.h b/src/COMPRESS/dump_atom_gz.h index 2b87e36f1d..b7cd1bf476 100644 --- a/src/COMPRESS/dump_atom_gz.h +++ b/src/COMPRESS/dump_atom_gz.h @@ -28,17 +28,16 @@ namespace LAMMPS_NS { class DumpAtomGZ : public DumpAtom { public: DumpAtomGZ(class LAMMPS *, int, char **); - virtual ~DumpAtomGZ() = default; protected: GzFileWriter writer; - virtual void openfile(); - virtual void write_header(bigint); - virtual void write_data(int, double *); - virtual void write(); + void openfile() override; + void write_header(bigint) override; + void write_data(int, double *) override; + void write() override; - virtual int modify_param(int, char **); + int modify_param(int, char **) override; }; } // namespace LAMMPS_NS diff --git a/src/COMPRESS/dump_atom_zstd.h b/src/COMPRESS/dump_atom_zstd.h index fb2da0c83b..9bc9796915 100644 --- a/src/COMPRESS/dump_atom_zstd.h +++ b/src/COMPRESS/dump_atom_zstd.h @@ -34,17 +34,16 @@ namespace LAMMPS_NS { class DumpAtomZstd : public DumpAtom { public: DumpAtomZstd(class LAMMPS *, int, char **); - virtual ~DumpAtomZstd() = default; protected: ZstdFileWriter writer; - virtual void openfile(); - virtual void write_header(bigint); - virtual void write_data(int, double *); - virtual void write(); + void openfile() override; + void write_header(bigint) override; + void write_data(int, double *) override; + void write() override; - virtual int modify_param(int, char **); + int modify_param(int, char **) override; }; } // namespace LAMMPS_NS diff --git a/src/COMPRESS/dump_cfg_gz.h b/src/COMPRESS/dump_cfg_gz.h index 153a4490c6..ca88600b51 100644 --- a/src/COMPRESS/dump_cfg_gz.h +++ b/src/COMPRESS/dump_cfg_gz.h @@ -28,17 +28,16 @@ namespace LAMMPS_NS { class DumpCFGGZ : public DumpCFG { public: DumpCFGGZ(class LAMMPS *, int, char **); - virtual ~DumpCFGGZ() = default; protected: GzFileWriter writer; - virtual void openfile(); - virtual void write_header(bigint); - virtual void write_data(int, double *); - virtual void write(); + void openfile() override; + void write_header(bigint) override; + void write_data(int, double *) override; + void write() override; - virtual int modify_param(int, char **); + int modify_param(int, char **) override; }; } // namespace LAMMPS_NS diff --git a/src/COMPRESS/dump_cfg_zstd.h b/src/COMPRESS/dump_cfg_zstd.h index 32013b274e..88541503f8 100644 --- a/src/COMPRESS/dump_cfg_zstd.h +++ b/src/COMPRESS/dump_cfg_zstd.h @@ -33,17 +33,16 @@ namespace LAMMPS_NS { class DumpCFGZstd : public DumpCFG { public: DumpCFGZstd(class LAMMPS *, int, char **); - virtual ~DumpCFGZstd() = default; protected: ZstdFileWriter writer; - virtual void openfile(); - virtual void write_header(bigint); - virtual void write_data(int, double *); - virtual void write(); + void openfile() override; + void write_header(bigint) override; + void write_data(int, double *) override; + void write() override; - virtual int modify_param(int, char **); + int modify_param(int, char **) override; }; } // namespace LAMMPS_NS diff --git a/src/COMPRESS/dump_custom_gz.h b/src/COMPRESS/dump_custom_gz.h index 660af8bfae..ba0a1a83fc 100644 --- a/src/COMPRESS/dump_custom_gz.h +++ b/src/COMPRESS/dump_custom_gz.h @@ -28,17 +28,16 @@ namespace LAMMPS_NS { class DumpCustomGZ : public DumpCustom { public: DumpCustomGZ(class LAMMPS *, int, char **); - virtual ~DumpCustomGZ() = default; protected: GzFileWriter writer; - virtual void openfile(); - virtual void write_header(bigint); - virtual void write_data(int, double *); - virtual void write(); + void openfile() override; + void write_header(bigint) override; + void write_data(int, double *) override; + void write() override; - virtual int modify_param(int, char **); + int modify_param(int, char **) override; }; } // namespace LAMMPS_NS diff --git a/src/COMPRESS/dump_custom_zstd.h b/src/COMPRESS/dump_custom_zstd.h index f179223265..d9b836c365 100644 --- a/src/COMPRESS/dump_custom_zstd.h +++ b/src/COMPRESS/dump_custom_zstd.h @@ -34,17 +34,16 @@ namespace LAMMPS_NS { class DumpCustomZstd : public DumpCustom { public: DumpCustomZstd(class LAMMPS *, int, char **); - virtual ~DumpCustomZstd() = default; protected: ZstdFileWriter writer; - virtual void openfile(); - virtual void write_header(bigint); - virtual void write_data(int, double *); - virtual void write(); + void openfile() override; + void write_header(bigint) override; + void write_data(int, double *) override; + void write() override; - virtual int modify_param(int, char **); + int modify_param(int, char **) override; }; } // namespace LAMMPS_NS diff --git a/src/COMPRESS/dump_local_gz.h b/src/COMPRESS/dump_local_gz.h index e2e7a028aa..b2e2c55127 100644 --- a/src/COMPRESS/dump_local_gz.h +++ b/src/COMPRESS/dump_local_gz.h @@ -28,17 +28,16 @@ namespace LAMMPS_NS { class DumpLocalGZ : public DumpLocal { public: DumpLocalGZ(class LAMMPS *, int, char **); - virtual ~DumpLocalGZ() = default; protected: GzFileWriter writer; - virtual void openfile(); - virtual void write_header(bigint); - virtual void write_data(int, double *); - virtual void write(); + void openfile() override; + void write_header(bigint) override; + void write_data(int, double *) override; + void write() override; - virtual int modify_param(int, char **); + int modify_param(int, char **) override; }; } // namespace LAMMPS_NS diff --git a/src/COMPRESS/dump_local_zstd.h b/src/COMPRESS/dump_local_zstd.h index fb4f017b3d..cc04c6512a 100644 --- a/src/COMPRESS/dump_local_zstd.h +++ b/src/COMPRESS/dump_local_zstd.h @@ -34,17 +34,16 @@ namespace LAMMPS_NS { class DumpLocalZstd : public DumpLocal { public: DumpLocalZstd(class LAMMPS *, int, char **); - virtual ~DumpLocalZstd() = default; protected: ZstdFileWriter writer; - virtual void openfile(); - virtual void write_header(bigint); - virtual void write_data(int, double *); - virtual void write(); + void openfile() override; + void write_header(bigint) override; + void write_data(int, double *) override; + void write() override; - virtual int modify_param(int, char **); + int modify_param(int, char **) override; }; } // namespace LAMMPS_NS diff --git a/src/COMPRESS/dump_xyz_gz.h b/src/COMPRESS/dump_xyz_gz.h index 62a25cfc66..714911c735 100644 --- a/src/COMPRESS/dump_xyz_gz.h +++ b/src/COMPRESS/dump_xyz_gz.h @@ -28,17 +28,16 @@ namespace LAMMPS_NS { class DumpXYZGZ : public DumpXYZ { public: DumpXYZGZ(class LAMMPS *, int, char **); - virtual ~DumpXYZGZ() = default; protected: GzFileWriter writer; - virtual void openfile(); - virtual void write_header(bigint); - virtual void write_data(int, double *); - virtual void write(); + void openfile() override; + void write_header(bigint) override; + void write_data(int, double *) override; + void write() override; - virtual int modify_param(int, char **); + int modify_param(int, char **) override; }; } // namespace LAMMPS_NS diff --git a/src/COMPRESS/dump_xyz_zstd.h b/src/COMPRESS/dump_xyz_zstd.h index 110e27ab8f..fe93be1156 100644 --- a/src/COMPRESS/dump_xyz_zstd.h +++ b/src/COMPRESS/dump_xyz_zstd.h @@ -34,17 +34,16 @@ namespace LAMMPS_NS { class DumpXYZZstd : public DumpXYZ { public: DumpXYZZstd(class LAMMPS *, int, char **); - virtual ~DumpXYZZstd() = default; protected: ZstdFileWriter writer; - virtual void openfile(); - virtual void write_header(bigint); - virtual void write_data(int, double *); - virtual void write(); + void openfile() override; + void write_header(bigint) override; + void write_data(int, double *) override; + void write() override; - virtual int modify_param(int, char **); + int modify_param(int, char **) override; }; } // namespace LAMMPS_NS diff --git a/src/COMPRESS/gz_file_writer.h b/src/COMPRESS/gz_file_writer.h index 3de1d0d2b8..2356675921 100644 --- a/src/COMPRESS/gz_file_writer.h +++ b/src/COMPRESS/gz_file_writer.h @@ -31,12 +31,12 @@ class GzFileWriter : public FileWriter { gzFile gzFp; // file pointer for the compressed output stream public: GzFileWriter(); - virtual ~GzFileWriter(); - virtual void open(const std::string &path, bool append = false) override; - virtual void close() override; - virtual void flush() override; - virtual size_t write(const void *buffer, size_t length) override; - virtual bool isopen() const override; + ~GzFileWriter() override; + void open(const std::string &path, bool append = false) override; + void close() override; + void flush() override; + size_t write(const void *buffer, size_t length) override; + bool isopen() const override; void setCompressionLevel(int level); }; diff --git a/src/COMPRESS/zstd_file_writer.h b/src/COMPRESS/zstd_file_writer.h index 3fde376b47..77b3838f83 100644 --- a/src/COMPRESS/zstd_file_writer.h +++ b/src/COMPRESS/zstd_file_writer.h @@ -42,12 +42,12 @@ class ZstdFileWriter : public FileWriter { public: ZstdFileWriter(); - virtual ~ZstdFileWriter(); - virtual void open(const std::string &path, bool append = false) override; - virtual void close() override; - virtual void flush() override; - virtual size_t write(const void *buffer, size_t length) override; - virtual bool isopen() const override; + ~ZstdFileWriter() override; + void open(const std::string &path, bool append = false) override; + void close() override; + void flush() override; + size_t write(const void *buffer, size_t length) override; + bool isopen() const override; void setCompressionLevel(int level); void setChecksum(bool enabled); diff --git a/src/EXTRA-DUMP/dump_dcd.h b/src/EXTRA-DUMP/dump_dcd.h index b445742104..e6e7e3c766 100644 --- a/src/EXTRA-DUMP/dump_dcd.h +++ b/src/EXTRA-DUMP/dump_dcd.h @@ -27,7 +27,7 @@ namespace LAMMPS_NS { class DumpDCD : public Dump { public: DumpDCD(LAMMPS *, int, char **); - virtual ~DumpDCD(); + ~DumpDCD() override; private: int natoms, ntotal; @@ -36,13 +36,13 @@ class DumpDCD : public Dump { float *coords, *xf, *yf, *zf; int unwrap_flag; // 1 if atom coords are unwrapped, 0 if no - void init_style(); - void openfile(); - void write_header(bigint); - void pack(tagint *); - void write_data(int, double *); - int modify_param(int, char **); - double memory_usage(); + void init_style() override; + void openfile() override; + void write_header(bigint) override; + void pack(tagint *) override; + void write_data(int, double *) override; + int modify_param(int, char **) override; + double memory_usage() override; void write_frame(); void write_dcd_header(const char *); diff --git a/src/EXTRA-DUMP/dump_xtc.h b/src/EXTRA-DUMP/dump_xtc.h index ef26b70295..4fd5ee57ff 100644 --- a/src/EXTRA-DUMP/dump_xtc.h +++ b/src/EXTRA-DUMP/dump_xtc.h @@ -28,7 +28,7 @@ namespace LAMMPS_NS { class DumpXTC : public Dump { public: DumpXTC(class LAMMPS *, int, char **); - virtual ~DumpXTC(); + ~DumpXTC() override; private: int natoms, ntotal; @@ -39,13 +39,13 @@ class DumpXTC : public Dump { double sfactor, tfactor; // scaling factors for positions and time unit XDR xd; - void init_style(); - int modify_param(int, char **); - void openfile(); - void write_header(bigint); - void pack(tagint *); - void write_data(int, double *); - double memory_usage(); + void init_style() override; + int modify_param(int, char **) override; + void openfile() override; + void write_header(bigint) override; + void pack(tagint *) override; + void write_data(int, double *) override; + double memory_usage() override; void write_frame(); }; diff --git a/src/MOLFILE/dump_molfile.h b/src/MOLFILE/dump_molfile.h index 968ed783ca..3f627835e6 100644 --- a/src/MOLFILE/dump_molfile.h +++ b/src/MOLFILE/dump_molfile.h @@ -29,8 +29,8 @@ namespace LAMMPS_NS { class DumpMolfile : public Dump { public: DumpMolfile(LAMMPS *, int, char **); - virtual ~DumpMolfile(); - virtual void write(); + ~DumpMolfile() override; + void write() override; protected: class MolfileInterface *mf; //< handles low-level I/O @@ -46,13 +46,13 @@ class DumpMolfile : public Dump { int topology_flag; // 1 if writing topology data, 0 if not float cell[6]; // cell parameters: A, B, C, alpha, beta, gamma - virtual void init_style(); - virtual int modify_param(int, char **); - virtual void write_header(bigint){}; - virtual void pack(tagint *); - virtual void write_data(int, double *); - virtual double memory_usage(); - virtual void openfile(); + void init_style() override; + int modify_param(int, char **) override; + void write_header(bigint) override{}; + void pack(tagint *) override; + void write_data(int, double *) override; + double memory_usage() override; + void openfile() override; }; } // namespace LAMMPS_NS diff --git a/src/UEF/dump_cfg_uef.h b/src/UEF/dump_cfg_uef.h index 56df6db033..d4fa3bfc02 100644 --- a/src/UEF/dump_cfg_uef.h +++ b/src/UEF/dump_cfg_uef.h @@ -29,8 +29,8 @@ namespace LAMMPS_NS { class DumpCFGUef : public DumpCFG { public: DumpCFGUef(LAMMPS *lmp, int narg, char **arg) : DumpCFG(lmp, narg, arg) {} - void init_style(); - void write_header(bigint); + void init_style() override; + void write_header(bigint) override; protected: int ifix_uef; diff --git a/src/UEF/fix_nh_uef.h b/src/UEF/fix_nh_uef.h index b8fb776366..8f74de7bbb 100644 --- a/src/UEF/fix_nh_uef.h +++ b/src/UEF/fix_nh_uef.h @@ -27,28 +27,28 @@ namespace UEF_utils { class FixNHUef : public FixNH { public: FixNHUef(class LAMMPS *, int, char **); - virtual ~FixNHUef(); - virtual int setmask(); - virtual void init(); - virtual void setup(int); - virtual void pre_exchange(); - virtual int pack_restart_data(double *); - virtual void restart(char *); - virtual void end_of_step(); - 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 post_run(); + ~FixNHUef() override; + int setmask() override; + void init() override; + void setup(int) override; + void pre_exchange() override; + int pack_restart_data(double *) override; + void restart(char *) override; + void end_of_step() 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 post_run() override; void get_rot(double[3][3]); void get_ext_flags(bool *); void get_box(double[3][3]); protected: - virtual void remap(); - virtual int size_restart_global(); - virtual void nve_x(); - virtual void nve_v(); + void remap() override; + int size_restart_global() override; + void nve_x() override; + void nve_v() override; void rotate_x(double[3][3]); void inv_rotate_x(double[3][3]); void rotate_v(double[3][3]); diff --git a/src/dump.h b/src/dump.h index 35da154d7c..b18b7293c0 100644 --- a/src/dump.h +++ b/src/dump.h @@ -37,7 +37,7 @@ class Dump : protected Pointers { #endif Dump(class LAMMPS *, int, char **); - virtual ~Dump(); + ~Dump() override; void init(); virtual void write(); diff --git a/src/dump_atom.h b/src/dump_atom.h index b960bf3665..1e1a9315d7 100644 --- a/src/dump_atom.h +++ b/src/dump_atom.h @@ -38,12 +38,12 @@ class DumpAtom : public Dump { char *columns; // column labels - void init_style(); - int modify_param(int, char **); - void write_header(bigint); - void pack(tagint *); - int convert_string(int, double *); - void write_data(int, double *); + void init_style() override; + int modify_param(int, char **) override; + void write_header(bigint) override; + void pack(tagint *) override; + int convert_string(int, double *) override; + void write_data(int, double *) override; void header_format_binary(); void header_unit_style_binary(); diff --git a/src/dump_cfg.h b/src/dump_cfg.h index 49699a2789..21b5396677 100644 --- a/src/dump_cfg.h +++ b/src/dump_cfg.h @@ -29,16 +29,16 @@ class DumpCFG : public DumpCustom { int multifile_override; // used by write_dump command DumpCFG(class LAMMPS *, int, char **); - virtual ~DumpCFG(); + ~DumpCFG() override; protected: char **auxname; // name strings of auxiliary properties int unwrapflag; // 1 if unwrapped coordinates are requested - void init_style(); - virtual void write_header(bigint); - int convert_string(int, double *); - virtual void write_data(int, double *); + void init_style() override; + void write_header(bigint) override; + int convert_string(int, double *) override; + void write_data(int, double *) override; typedef void (DumpCFG::*FnPtrWrite)(int, double *); FnPtrWrite write_choice; // ptr to write data functions diff --git a/src/dump_custom.h b/src/dump_custom.h index 4209d8e46f..5a99cca009 100644 --- a/src/dump_custom.h +++ b/src/dump_custom.h @@ -27,7 +27,7 @@ namespace LAMMPS_NS { class DumpCustom : public Dump { public: DumpCustom(class LAMMPS *, int, char **); - virtual ~DumpCustom(); + ~DumpCustom() override; const char *MAGIC_STRING = "DUMPCUSTOM"; const int FORMAT_REVISION = 0x0002; @@ -97,20 +97,20 @@ class DumpCustom : public Dump { // private methods - virtual void init_style(); - virtual void write_header(bigint); - int count(); - void pack(tagint *); - virtual int convert_string(int, double *); - virtual void write_data(int, double *); - double memory_usage(); + void init_style() override; + void write_header(bigint) override; + int count() override; + void pack(tagint *) override; + int convert_string(int, double *) override; + void write_data(int, double *) override; + double memory_usage() override; int parse_fields(int, char **); int add_compute(const char *); int add_fix(const char *); int add_variable(const char *); int add_custom(const char *, int); - virtual int modify_param(int, char **); + int modify_param(int, char **) override; void header_format_binary(); void header_unit_style_binary(); diff --git a/src/dump_deprecated.h b/src/dump_deprecated.h index 811fde2edb..3e51f19dda 100644 --- a/src/dump_deprecated.h +++ b/src/dump_deprecated.h @@ -28,11 +28,11 @@ namespace LAMMPS_NS { class DumpDeprecated : public Dump { public: DumpDeprecated(class LAMMPS *, int, char **); - ~DumpDeprecated() {} - virtual void init_style() {} - virtual void write_header(bigint) {} - virtual void pack(tagint *) {} - virtual void write_data(int, double *) {} + ~DumpDeprecated() override {} + void init_style() override {} + void write_header(bigint) override {} + void pack(tagint *) override {} + void write_data(int, double *) override {} }; } // namespace LAMMPS_NS diff --git a/src/dump_image.h b/src/dump_image.h index e3bf1a9183..6c2f419f2e 100644 --- a/src/dump_image.h +++ b/src/dump_image.h @@ -29,9 +29,9 @@ class DumpImage : public DumpCustom { int multifile_override; // used by write_dump command DumpImage(class LAMMPS *, int, char **); - virtual ~DumpImage(); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); + ~DumpImage() override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; protected: int filetype; @@ -91,9 +91,9 @@ class DumpImage : public DumpCustom { double **bufcopy; // buffer for communicating bond/atom info int maxbufcopy; - virtual void init_style(); - int modify_param(int, char **); - void write(); + void init_style() override; + int modify_param(int, char **) override; + void write() override; void box_center(); void view_params(); diff --git a/src/dump_local.h b/src/dump_local.h index 1bbdbb1db7..7cd441c8e7 100644 --- a/src/dump_local.h +++ b/src/dump_local.h @@ -27,7 +27,7 @@ namespace LAMMPS_NS { class DumpLocal : public Dump { public: DumpLocal(LAMMPS *, int, char **); - virtual ~DumpLocal(); + ~DumpLocal() override; protected: int nevery; // dump frequency to check Fix against @@ -53,13 +53,13 @@ class DumpLocal : public Dump { char **id_fix; // their IDs class Fix **fix; // list of ptrs to the Fix objects - void init_style(); - int modify_param(int, char **); - virtual void write_header(bigint); - int count(); - void pack(tagint *); - int convert_string(int, double *); - virtual void write_data(int, double *); + void init_style() override; + int modify_param(int, char **) override; + void write_header(bigint) override; + int count() override; + void pack(tagint *) override; + int convert_string(int, double *) override; + void write_data(int, double *) override; void parse_fields(int, char **); int add_compute(const char *); diff --git a/src/dump_movie.h b/src/dump_movie.h index 770193e039..dd302d40b3 100644 --- a/src/dump_movie.h +++ b/src/dump_movie.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class DumpMovie : public DumpImage { public: DumpMovie(LAMMPS *, int, char **); - virtual ~DumpMovie(); + ~DumpMovie() override; - virtual void openfile(); - virtual void init_style(); - virtual int modify_param(int, char **); + void openfile() override; + void init_style() override; + int modify_param(int, char **) override; protected: double framerate; // frame rate of animation diff --git a/src/dump_xyz.h b/src/dump_xyz.h index b517a1db13..e9d43a5d91 100644 --- a/src/dump_xyz.h +++ b/src/dump_xyz.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class DumpXYZ : public Dump { public: DumpXYZ(class LAMMPS *, int, char **); - virtual ~DumpXYZ(); + ~DumpXYZ() override; protected: int ntypes; char **typenames; - void init_style(); - void write_header(bigint); - void pack(tagint *); - int convert_string(int, double *); - void write_data(int, double *); - int modify_param(int, char **); + void init_style() override; + void write_header(bigint) override; + void pack(tagint *) override; + int convert_string(int, double *) override; + void write_data(int, double *) override; + int modify_param(int, char **) override; typedef void (DumpXYZ::*FnPtrWrite)(int, double *); FnPtrWrite write_choice; // ptr to write data functions diff --git a/src/file_writer.h b/src/file_writer.h index 42e636d16f..ff54371d2e 100644 --- a/src/file_writer.h +++ b/src/file_writer.h @@ -39,9 +39,9 @@ class FileWriterException : public std::exception { public: FileWriterException(const std::string &msg) : message(msg) {} - ~FileWriterException() noexcept {} + ~FileWriterException() noexcept override {} - virtual const char *what() const noexcept { return message.c_str(); } + const char *what() const noexcept override { return message.c_str(); } }; } // namespace LAMMPS_NS diff --git a/src/image.h b/src/image.h index f9937cacfa..9eb5c899cb 100644 --- a/src/image.h +++ b/src/image.h @@ -35,7 +35,7 @@ class Image : protected Pointers { int background[3]; // RGB values of background Image(class LAMMPS *, int); - ~Image(); + ~Image() override; void buffers(); void clear(); void merge(); @@ -150,7 +150,7 @@ class ColorMap : protected Pointers { int dynamic; // 0/1 if lo/hi bounds are static/dynamic ColorMap(class LAMMPS *, class Image *); - ~ColorMap(); + ~ColorMap() override; int reset(int, char **); int minmax(double, double); double *value2color(double);