67 lines
2.2 KiB
C++
67 lines
2.2 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://www.lammps.org/, 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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/* ----------------------------------------------------------------------
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Contributing authors: Richard Berger (Temple U)
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------------------------------------------------------------------------- */
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#ifndef LMP_POTENTIAL_FILE_READER_H
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#define LMP_POTENTIAL_FILE_READER_H
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#include "pointers.h" // IWYU pragma: export
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#include "tokenizer.h" // IWYU pragma: export
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namespace LAMMPS_NS {
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class TextFileReader;
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class PotentialFileReader : protected Pointers {
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protected:
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TextFileReader *reader;
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std::string filename;
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std::string filetype;
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int unit_convert;
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TextFileReader *open_potential(const std::string &path);
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public:
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PotentialFileReader(class LAMMPS *lmp, const std::string &filename,
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const std::string &potential_name, const int auto_convert = 0);
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PotentialFileReader(class LAMMPS *lmp, const std::string &filename,
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const std::string &potential_name, const std::string &name_suffix,
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const int auto_convert = 0);
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~PotentialFileReader() override;
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void ignore_comments(bool value);
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void rewind();
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void skip_line();
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char *next_line(int nparams = 0);
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void next_dvector(double *list, int n);
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ValueTokenizer next_values(int nparams,
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const std::string &separators = TOKENIZER_DEFAULT_SEPARATORS);
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// convenience functions
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double next_double();
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int next_int();
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tagint next_tagint();
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bigint next_bigint();
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std::string next_string();
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// unit conversion info
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int get_unit_convert() const { return unit_convert; }
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};
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} // namespace LAMMPS_NS
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#endif
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