55 lines
1.9 KiB
C++
55 lines
1.9 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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#ifndef LMP_LAMMPS_H
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#define LMP_LAMMPS_H
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#include "stdio.h"
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namespace LAMMPS_NS {
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class LAMMPS {
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public:
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// ptrs to fundamental LAMMPS classes
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class Memory *memory; // memory allocation functions
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class Error *error; // error handling
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class Universe *universe; // universe of processors
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class Input *input; // input script processing
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// ptrs to top-level LAMMPS-specific classes
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class Atom *atom; // atom-based quantities
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class Update *update; // integrators/minimizers
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class Neighbor *neighbor; // neighbor lists
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class Comm *comm; // inter-processor communication
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class Domain *domain; // simulation box
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class Force *force; // inter-particle forces
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class Modify *modify; // fixes and computes
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class Group *group; // groups of atoms
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class Output *output; // thermo/dump/restart
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class Timer *timer; // CPU timing info
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MPI_Comm world; // MPI communicator
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FILE *infile; // infile
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FILE *screen; // screen output
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FILE *logfile; // logfile
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LAMMPS(int, char **, MPI_Comm);
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~LAMMPS();
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void create();
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void init();
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void destroy();
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};
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}
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#endif
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