73 lines
1.6 KiB
C++
73 lines
1.6 KiB
C++
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifdef COMMAND_CLASS
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CommandStyle(read_data,ReadData)
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#else
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#ifndef LMP_READ_DATA_H
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#define LMP_READ_DATA_H
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#include "stdio.h"
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#include "pointers.h"
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namespace LAMMPS_NS {
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class ReadData : protected Pointers {
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public:
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ReadData(class LAMMPS *);
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~ReadData();
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void command(int, char **);
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private:
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int me;
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char *line,*keyword,*buffer;
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FILE *fp;
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int narg,maxarg,compressed;
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char **arg;
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bigint nellipsoids;
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class AtomVecEllipsoid *avec_ellipsoid;
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void open(char *);
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void scan(int &, int &, int &, int &);
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int reallocate(int **, int, int);
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void header(int);
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void parse_keyword(int, int);
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void skip_lines(int);
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void parse_coeffs(char *, char *, int);
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void atoms();
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void velocities();
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void ellipsoids();
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void bonds();
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void angles();
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void dihedrals();
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void impropers();
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void mass();
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void paircoeffs();
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void bondcoeffs();
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void anglecoeffs(int);
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void dihedralcoeffs(int);
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void impropercoeffs(int);
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};
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}
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#endif
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#endif
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