Apply override to Dump classes
This commit is contained in:
@ -28,17 +28,16 @@ namespace LAMMPS_NS {
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class DumpAtomGZ : public DumpAtom {
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public:
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DumpAtomGZ(class LAMMPS *, int, char **);
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virtual ~DumpAtomGZ() = default;
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protected:
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GzFileWriter writer;
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virtual void openfile();
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virtual void write_header(bigint);
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virtual void write_data(int, double *);
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virtual void write();
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void openfile() override;
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void write_header(bigint) override;
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void write_data(int, double *) override;
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void write() override;
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virtual int modify_param(int, char **);
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int modify_param(int, char **) override;
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};
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} // namespace LAMMPS_NS
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@ -34,17 +34,16 @@ namespace LAMMPS_NS {
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class DumpAtomZstd : public DumpAtom {
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public:
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DumpAtomZstd(class LAMMPS *, int, char **);
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virtual ~DumpAtomZstd() = default;
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protected:
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ZstdFileWriter writer;
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virtual void openfile();
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virtual void write_header(bigint);
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virtual void write_data(int, double *);
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virtual void write();
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void openfile() override;
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void write_header(bigint) override;
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void write_data(int, double *) override;
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void write() override;
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virtual int modify_param(int, char **);
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int modify_param(int, char **) override;
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};
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} // namespace LAMMPS_NS
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@ -28,17 +28,16 @@ namespace LAMMPS_NS {
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class DumpCFGGZ : public DumpCFG {
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public:
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DumpCFGGZ(class LAMMPS *, int, char **);
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virtual ~DumpCFGGZ() = default;
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protected:
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GzFileWriter writer;
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virtual void openfile();
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virtual void write_header(bigint);
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virtual void write_data(int, double *);
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virtual void write();
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void openfile() override;
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void write_header(bigint) override;
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void write_data(int, double *) override;
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void write() override;
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virtual int modify_param(int, char **);
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int modify_param(int, char **) override;
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};
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} // namespace LAMMPS_NS
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@ -33,17 +33,16 @@ namespace LAMMPS_NS {
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class DumpCFGZstd : public DumpCFG {
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public:
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DumpCFGZstd(class LAMMPS *, int, char **);
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virtual ~DumpCFGZstd() = default;
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protected:
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ZstdFileWriter writer;
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virtual void openfile();
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virtual void write_header(bigint);
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virtual void write_data(int, double *);
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virtual void write();
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void openfile() override;
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void write_header(bigint) override;
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void write_data(int, double *) override;
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void write() override;
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virtual int modify_param(int, char **);
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int modify_param(int, char **) override;
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};
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} // namespace LAMMPS_NS
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@ -28,17 +28,16 @@ namespace LAMMPS_NS {
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class DumpCustomGZ : public DumpCustom {
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public:
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DumpCustomGZ(class LAMMPS *, int, char **);
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virtual ~DumpCustomGZ() = default;
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protected:
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GzFileWriter writer;
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virtual void openfile();
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virtual void write_header(bigint);
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virtual void write_data(int, double *);
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virtual void write();
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void openfile() override;
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void write_header(bigint) override;
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void write_data(int, double *) override;
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void write() override;
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virtual int modify_param(int, char **);
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int modify_param(int, char **) override;
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};
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} // namespace LAMMPS_NS
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@ -34,17 +34,16 @@ namespace LAMMPS_NS {
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class DumpCustomZstd : public DumpCustom {
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public:
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DumpCustomZstd(class LAMMPS *, int, char **);
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virtual ~DumpCustomZstd() = default;
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protected:
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ZstdFileWriter writer;
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virtual void openfile();
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virtual void write_header(bigint);
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virtual void write_data(int, double *);
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virtual void write();
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void openfile() override;
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void write_header(bigint) override;
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void write_data(int, double *) override;
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void write() override;
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virtual int modify_param(int, char **);
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int modify_param(int, char **) override;
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};
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} // namespace LAMMPS_NS
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@ -28,17 +28,16 @@ namespace LAMMPS_NS {
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class DumpLocalGZ : public DumpLocal {
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public:
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DumpLocalGZ(class LAMMPS *, int, char **);
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virtual ~DumpLocalGZ() = default;
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protected:
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GzFileWriter writer;
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virtual void openfile();
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virtual void write_header(bigint);
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virtual void write_data(int, double *);
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virtual void write();
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void openfile() override;
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void write_header(bigint) override;
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void write_data(int, double *) override;
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void write() override;
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virtual int modify_param(int, char **);
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int modify_param(int, char **) override;
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};
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} // namespace LAMMPS_NS
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@ -34,17 +34,16 @@ namespace LAMMPS_NS {
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class DumpLocalZstd : public DumpLocal {
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public:
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DumpLocalZstd(class LAMMPS *, int, char **);
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virtual ~DumpLocalZstd() = default;
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protected:
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ZstdFileWriter writer;
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virtual void openfile();
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virtual void write_header(bigint);
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virtual void write_data(int, double *);
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virtual void write();
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void openfile() override;
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void write_header(bigint) override;
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void write_data(int, double *) override;
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void write() override;
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virtual int modify_param(int, char **);
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int modify_param(int, char **) override;
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};
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} // namespace LAMMPS_NS
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@ -28,17 +28,16 @@ namespace LAMMPS_NS {
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class DumpXYZGZ : public DumpXYZ {
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public:
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DumpXYZGZ(class LAMMPS *, int, char **);
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virtual ~DumpXYZGZ() = default;
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protected:
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GzFileWriter writer;
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virtual void openfile();
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virtual void write_header(bigint);
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virtual void write_data(int, double *);
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virtual void write();
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void openfile() override;
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void write_header(bigint) override;
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void write_data(int, double *) override;
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void write() override;
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virtual int modify_param(int, char **);
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int modify_param(int, char **) override;
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};
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} // namespace LAMMPS_NS
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@ -34,17 +34,16 @@ namespace LAMMPS_NS {
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class DumpXYZZstd : public DumpXYZ {
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public:
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DumpXYZZstd(class LAMMPS *, int, char **);
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virtual ~DumpXYZZstd() = default;
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protected:
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ZstdFileWriter writer;
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virtual void openfile();
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virtual void write_header(bigint);
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virtual void write_data(int, double *);
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virtual void write();
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void openfile() override;
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void write_header(bigint) override;
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void write_data(int, double *) override;
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void write() override;
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virtual int modify_param(int, char **);
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int modify_param(int, char **) override;
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};
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} // namespace LAMMPS_NS
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@ -31,12 +31,12 @@ class GzFileWriter : public FileWriter {
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gzFile gzFp; // file pointer for the compressed output stream
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public:
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GzFileWriter();
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virtual ~GzFileWriter();
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virtual void open(const std::string &path, bool append = false) override;
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virtual void close() override;
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virtual void flush() override;
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virtual size_t write(const void *buffer, size_t length) override;
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virtual bool isopen() const override;
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~GzFileWriter() override;
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void open(const std::string &path, bool append = false) override;
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void close() override;
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void flush() override;
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size_t write(const void *buffer, size_t length) override;
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bool isopen() const override;
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void setCompressionLevel(int level);
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};
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@ -42,12 +42,12 @@ class ZstdFileWriter : public FileWriter {
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public:
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ZstdFileWriter();
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virtual ~ZstdFileWriter();
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virtual void open(const std::string &path, bool append = false) override;
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virtual void close() override;
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virtual void flush() override;
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virtual size_t write(const void *buffer, size_t length) override;
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virtual bool isopen() const override;
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~ZstdFileWriter() override;
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void open(const std::string &path, bool append = false) override;
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void close() override;
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void flush() override;
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size_t write(const void *buffer, size_t length) override;
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bool isopen() const override;
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void setCompressionLevel(int level);
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void setChecksum(bool enabled);
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@ -27,7 +27,7 @@ namespace LAMMPS_NS {
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class DumpDCD : public Dump {
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public:
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DumpDCD(LAMMPS *, int, char **);
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virtual ~DumpDCD();
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~DumpDCD() override;
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private:
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int natoms, ntotal;
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@ -36,13 +36,13 @@ class DumpDCD : public Dump {
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float *coords, *xf, *yf, *zf;
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int unwrap_flag; // 1 if atom coords are unwrapped, 0 if no
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void init_style();
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void openfile();
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void write_header(bigint);
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void pack(tagint *);
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void write_data(int, double *);
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int modify_param(int, char **);
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double memory_usage();
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void init_style() override;
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void openfile() override;
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void write_header(bigint) override;
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void pack(tagint *) override;
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void write_data(int, double *) override;
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int modify_param(int, char **) override;
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double memory_usage() override;
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void write_frame();
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void write_dcd_header(const char *);
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@ -28,7 +28,7 @@ namespace LAMMPS_NS {
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class DumpXTC : public Dump {
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public:
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DumpXTC(class LAMMPS *, int, char **);
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virtual ~DumpXTC();
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~DumpXTC() override;
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private:
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int natoms, ntotal;
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@ -39,13 +39,13 @@ class DumpXTC : public Dump {
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double sfactor, tfactor; // scaling factors for positions and time unit
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XDR xd;
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void init_style();
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int modify_param(int, char **);
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void openfile();
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void write_header(bigint);
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void pack(tagint *);
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void write_data(int, double *);
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double memory_usage();
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void init_style() override;
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int modify_param(int, char **) override;
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void openfile() override;
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void write_header(bigint) override;
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void pack(tagint *) override;
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void write_data(int, double *) override;
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double memory_usage() override;
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void write_frame();
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};
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@ -29,8 +29,8 @@ namespace LAMMPS_NS {
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class DumpMolfile : public Dump {
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public:
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DumpMolfile(LAMMPS *, int, char **);
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virtual ~DumpMolfile();
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virtual void write();
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~DumpMolfile() override;
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void write() override;
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protected:
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class MolfileInterface *mf; //< handles low-level I/O
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@ -46,13 +46,13 @@ class DumpMolfile : public Dump {
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int topology_flag; // 1 if writing topology data, 0 if not
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float cell[6]; // cell parameters: A, B, C, alpha, beta, gamma
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virtual void init_style();
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virtual int modify_param(int, char **);
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virtual void write_header(bigint){};
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virtual void pack(tagint *);
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virtual void write_data(int, double *);
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virtual double memory_usage();
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virtual void openfile();
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void init_style() override;
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int modify_param(int, char **) override;
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void write_header(bigint) override{};
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void pack(tagint *) override;
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void write_data(int, double *) override;
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double memory_usage() override;
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void openfile() override;
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};
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} // namespace LAMMPS_NS
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@ -29,8 +29,8 @@ namespace LAMMPS_NS {
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class DumpCFGUef : public DumpCFG {
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public:
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DumpCFGUef(LAMMPS *lmp, int narg, char **arg) : DumpCFG(lmp, narg, arg) {}
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void init_style();
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void write_header(bigint);
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void init_style() override;
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void write_header(bigint) override;
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protected:
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int ifix_uef;
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@ -27,28 +27,28 @@ namespace UEF_utils {
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class FixNHUef : public FixNH {
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public:
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FixNHUef(class LAMMPS *, int, char **);
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virtual ~FixNHUef();
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virtual int setmask();
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virtual void init();
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virtual void setup(int);
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virtual void pre_exchange();
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virtual int pack_restart_data(double *);
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virtual void restart(char *);
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virtual void end_of_step();
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virtual void initial_integrate(int);
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virtual void final_integrate();
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virtual void initial_integrate_respa(int, int, int);
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virtual void final_integrate_respa(int, int);
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virtual void post_run();
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~FixNHUef() override;
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int setmask() override;
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void init() override;
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void setup(int) override;
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void pre_exchange() override;
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int pack_restart_data(double *) override;
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void restart(char *) override;
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void end_of_step() override;
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void initial_integrate(int) override;
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void final_integrate() override;
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void initial_integrate_respa(int, int, int) override;
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void final_integrate_respa(int, int) override;
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void post_run() override;
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void get_rot(double[3][3]);
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void get_ext_flags(bool *);
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void get_box(double[3][3]);
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protected:
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virtual void remap();
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virtual int size_restart_global();
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virtual void nve_x();
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virtual void nve_v();
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void remap() override;
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int size_restart_global() override;
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void nve_x() override;
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void nve_v() override;
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void rotate_x(double[3][3]);
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void inv_rotate_x(double[3][3]);
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void rotate_v(double[3][3]);
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@ -37,7 +37,7 @@ class Dump : protected Pointers {
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#endif
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Dump(class LAMMPS *, int, char **);
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virtual ~Dump();
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~Dump() override;
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void init();
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virtual void write();
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@ -38,12 +38,12 @@ class DumpAtom : public Dump {
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char *columns; // column labels
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void init_style();
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int modify_param(int, char **);
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void write_header(bigint);
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void pack(tagint *);
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int convert_string(int, double *);
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void write_data(int, double *);
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void init_style() override;
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int modify_param(int, char **) override;
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void write_header(bigint) override;
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void pack(tagint *) override;
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int convert_string(int, double *) override;
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void write_data(int, double *) override;
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void header_format_binary();
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void header_unit_style_binary();
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@ -29,16 +29,16 @@ class DumpCFG : public DumpCustom {
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int multifile_override; // used by write_dump command
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DumpCFG(class LAMMPS *, int, char **);
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virtual ~DumpCFG();
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~DumpCFG() override;
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protected:
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char **auxname; // name strings of auxiliary properties
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int unwrapflag; // 1 if unwrapped coordinates are requested
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void init_style();
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virtual void write_header(bigint);
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int convert_string(int, double *);
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virtual void write_data(int, double *);
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void init_style() override;
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void write_header(bigint) override;
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int convert_string(int, double *) override;
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void write_data(int, double *) override;
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typedef void (DumpCFG::*FnPtrWrite)(int, double *);
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FnPtrWrite write_choice; // ptr to write data functions
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@ -27,7 +27,7 @@ namespace LAMMPS_NS {
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class DumpCustom : public Dump {
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public:
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DumpCustom(class LAMMPS *, int, char **);
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virtual ~DumpCustom();
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~DumpCustom() override;
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const char *MAGIC_STRING = "DUMPCUSTOM";
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const int FORMAT_REVISION = 0x0002;
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@ -97,20 +97,20 @@ class DumpCustom : public Dump {
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// private methods
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virtual void init_style();
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virtual void write_header(bigint);
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int count();
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void pack(tagint *);
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virtual int convert_string(int, double *);
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virtual void write_data(int, double *);
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double memory_usage();
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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();
|
||||
|
||||
@ -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
|
||||
|
||||
@ -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();
|
||||
|
||||
@ -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 *);
|
||||
|
||||
@ -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
|
||||
|
||||
@ -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
|
||||
|
||||
@ -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
|
||||
|
||||
@ -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);
|
||||
|
||||
Reference in New Issue
Block a user