forked from lijiext/lammps
revert reformatting of unrelated file
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9959997376
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@ -15,7 +15,7 @@
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#ifdef READER_CLASS
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ReaderStyle(molfile, ReaderMolfile)
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ReaderStyle(molfile,ReaderMolfile)
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#else
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@ -24,44 +24,42 @@ ReaderStyle(molfile, ReaderMolfile)
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#include "reader.h"
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namespace LAMMPS_NS
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{
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namespace LAMMPS_NS {
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class ReaderMolfile : public Reader
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{
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public:
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ReaderMolfile(class LAMMPS *);
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virtual ~ReaderMolfile();
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class ReaderMolfile : public Reader {
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public:
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ReaderMolfile(class LAMMPS *);
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virtual ~ReaderMolfile();
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virtual void settings(int, char **);
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virtual void settings(int, char **);
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virtual int read_time(bigint &);
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virtual void skip();
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virtual bigint read_header(double[3][3], int &, int &, int, int, int *,
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char **, int, int, int &, int &, int &, int &);
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virtual void read_atoms(int, int, double **);
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virtual int read_time(bigint &);
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virtual void skip();
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virtual bigint read_header(double [3][3], int &, int &, int, int, int *, char **,
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int, int, int &, int &, int &, int &);
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virtual void read_atoms(int, int, double **);
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virtual void open_file(const char *);
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virtual void close_file();
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virtual void open_file(const char *);
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virtual void close_file();
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private:
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int *fieldindex; // mapping of input fields to dump
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int *fieldindex; // mapping of input fields to dump
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class MolfileInterface *mf;
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float *coords; // pointer to temporary coordinate storage
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float *vels; // pointer to temporary velocity storage
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int *types; // pointer to temporary type info storage
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float cell[6]; // box info (stored as, a, b, c, alpha, beta, gamma)
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int natoms; // current number of atoms
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int needvels; // 1 if velocities are required, otherwise 0
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class MolfileInterface *mf;
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float *coords; // pointer to temporary coordinate storage
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float *vels; // pointer to temporary velocity storage
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int *types; // pointer to temporary type info storage
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float cell[6]; // box info (stored as, a, b, c, alpha, beta, gamma)
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int natoms; // current number of atoms
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int needvels; // 1 if velocities are required, otherwise 0
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bigint nstep; // current (time) step number
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bigint nid; // current atom id.
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bigint nstep; // current (time) step number
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bigint nid; // current atom id.
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int me;
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int me;
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};
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} // namespace LAMMPS_NS
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}
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#endif
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#endif
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