(ea95ee88) · Commits · 郑智淋 / lammps

doc/Section_howto.html

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		@@ -582,6 +582,24 @@ Again, the <A HREF = "run.html">run</A> command has options that allow it to be
		invoked with minimal overhead (no setup or clean-up) if you wish to do
		multiple short runs, driven by another program.
		</P>
		<P>Examples of driver codes that call LAMMPS as a library are included in
		the "couple" directory of the LAMMPS distribution; see couple/README
		for more details:
		</P>
		<UL><LI>simple: simple driver programs in C++ and C which invoke LAMMPS as a
		library

		<LI>lammps_quest: coupling of LAMMPS and <A HREF = "http://dft.sandia.gov/Quest">Quest</A>, to run classical
		MD with quantum forces calculated by a density functional code

		<LI>lammps_spparks: coupling of LAMMPS and <A HREF = "http://www.sandia.gov/~sjplimp/spparks.html">SPPARKS</A>, to couple
		a kinetic Monte Carlo model for grain growth using MD to calculate
		strain induced across grain boundaries
		</UL>




		<P><A HREF = "Section_start.html#2_4">This section</A> of the documentation describes
		how to build LAMMPS as a library. Once this is done, you can
		interface with LAMMPS either via C++, C, or Fortran (or any other

+17 −0

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		@@ -578,6 +578,23 @@ Again, the "run"_run.html command has options that allow it to be
		invoked with minimal overhead (no setup or clean-up) if you wish to do
		multiple short runs, driven by another program.

		Examples of driver codes that call LAMMPS as a library are included in
		the "couple" directory of the LAMMPS distribution; see couple/README
		for more details:

		simple: simple driver programs in C++ and C which invoke LAMMPS as a
		library :ulb,l

		lammps_quest: coupling of LAMMPS and "Quest"_quest, to run classical
		MD with quantum forces calculated by a density functional code :l

		lammps_spparks: coupling of LAMMPS and "SPPARKS"_spparks, to couple
		a kinetic Monte Carlo model for grain growth using MD to calculate
		strain induced across grain boundaries :l,ule

		:link(quest,http://dft.sandia.gov/Quest)
		:link(spparks,http://www.sandia.gov/~sjplimp/spparks.html)

		"This section"_Section_start.html#2_4 of the documentation describes
		how to build LAMMPS as a library. Once this is done, you can
		interface with LAMMPS either via C++, C, or Fortran (or any other

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		@@ -42,6 +42,7 @@ sub-directories:
		<TR><TD >README</TD><TD > text file</TD></TR>
		<TR><TD >LICENSE</TD><TD > the GNU General Public License (GPL)</TD></TR>
		<TR><TD >bench</TD><TD > benchmark problems</TD></TR>
		<TR><TD >couple</TD><TD > code coupling examples, using LAMMPS as a library</TD></TR>
		<TR><TD >doc</TD><TD > documentation</TD></TR>
		<TR><TD >examples</TD><TD > simple test problems</TD></TR>
		<TR><TD >potentials</TD><TD > embedded atom method (EAM) potential files</TD></TR>

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		@@ -38,6 +38,7 @@ sub-directories:
		README: text file
		LICENSE: the GNU General Public License (GPL)
		bench: benchmark problems
		couple: code coupling examples, using LAMMPS as a library
		doc: documentation
		examples: simple test problems
		potentials: embedded atom method (EAM) potential files