71 lines
2.1 KiB
C++
71 lines
2.1 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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LAMMPS development team: developers@lammps.org
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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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#ifndef LAMMPSWRAPPER_H
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#define LAMMPSWRAPPER_H
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class LammpsWrapper {
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public:
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LammpsWrapper();
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public:
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void open(int nargs, char **args);
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void close();
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void finalize();
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void file(const char *);
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void command(const char *);
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void commands_string(const char *);
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void force_timeout();
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int version();
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int extract_setting(const char *keyword);
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void *extract_global(const char *keyword);
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void *extract_pair(const char *keyword);
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void *extract_atom(const char *keyword);
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int id_count(const char *idtype);
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int id_name(const char *idtype, int idx, char *buf, int buflen);
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int style_count(const char *keyword);
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int style_name(const char *keyword, int idx, char *buf, int buflen);
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int variable_info(int idx, char *buf, int buflen);
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double get_thermo(const char *keyword);
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void *last_thermo(const char *keyword, int idx);
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bool is_open() const { return lammps_handle != nullptr; }
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bool is_running();
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bool has_error() const;
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int get_last_error_message(char *errorbuf, int buflen);
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bool config_accelerator(const char *package, const char *category, const char *setting) const;
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bool config_has_package(const char *pkg) const;
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bool has_gpu_device() const;
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bool load_lib(const char *lammpslib);
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bool has_plugin() const;
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private:
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void *lammps_handle;
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#if defined(LAMMPS_GUI_USE_PLUGIN)
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void *plugin_handle;
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#endif
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};
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#endif
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// Local Variables:
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// c-basic-offset: 4
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// End:
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