forked from lijiext/lammps
39 lines
1.4 KiB
Plaintext
39 lines
1.4 KiB
Plaintext
This directory has examples of how to use LAMMPS as a library, either
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by itself or in tandem with another code or library.
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These examples is meant to illustrate what is possible when coupling
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codes or calling LAMMPS as a library. The examples are provided for
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demonstration purposes. The physics they calculate is too simple to
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model a realistic problem.
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See these sections of the LAMMPS manaul for details:
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2.4 Building LAMMPS as a library (doc/Section_start.html#2_4)
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4.10 Coupling LAMMPS to other codes (doc/Section_howto.html#4_10)
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In all of the examples included here, LAMMPS must first be built as a
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library. Basically, you type something like
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make makelib
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make -f Makefile.lib g++
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in the LAMMPS src directory to create liblmp_g++.a
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The library interface to LAMMPS is in src/library.cpp. Routines can
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be easily added to this file so an external program can perform the
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LAMMPS tasks desired.
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-------------------------------------------------------------------
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These are the sub-directories included in this directory:
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lammps_quest MD with quantum forces, coupling to Quest DFT code
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lammps_spparks grain-growth Monte Carlo with strain via MD,
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coupling to SPPARKS kinetic MC code
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library collection of useful inter-code communication routines
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simple simple example of driver code calling LAMMPS as library
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fortran a wrapper on the LAMMPS library API that
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can be called from Fortran
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Each sub-directory has its own README.
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