34 lines
1.4 KiB
ReStructuredText
34 lines
1.4 KiB
ReStructuredText
LAMMPS Class
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************
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The LAMMPS class is encapsulating an MD simulation state and thus it is
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the class that needs to be created when starting a new simulation system
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state. The LAMMPS executable essentially creates one instance of this
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class and passes the command line flags and tells it to process the
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provided input (a file or ``stdin``). It shuts the class down when
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control is returned to it and then exits. When using LAMMPS as a
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library from another code it is required to create an instance of this
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class, either directly from C++ with ``new LAMMPS()`` or through one
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of the library interface functions like :cpp:func:`lammps_open` of the
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C-library interface, or the :py:class:`lammps.lammps` class constructor
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of the Python module, or the :f:func:`lammps` constructor of the Fortran
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module.
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In order to avoid clashes of function names, all of the core code in
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LAMMPS is placed into the ``LAMMPS_NS`` namespace. Functions or variables
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outside of that namespace must be "static", i.e. visible only to the
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scope of the file/object they are defined in. Code in packages or the
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libraries in the ``lib`` folder may not adhere to this as some of them
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are adapted from legacy code or consist of external libraries with their
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own requirements and policies.
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--------------------
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.. doxygenclass:: LAMMPS_NS::LAMMPS
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:project: progguide
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:members:
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.. doxygenclass:: LAMMPS_NS::Pointers
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:project: progguide
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