lammps/examples/COUPLE
sjplimp 661c056cdb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10965 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-11-04 21:06:38 +00:00
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fortran git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8636 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-13 23:49:26 +00:00
fortran2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9908 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-24 14:11:43 +00:00
lammps_quest git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9227 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-04 17:58:46 +00:00
lammps_spparks git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9641 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-03-11 21:37:15 +00:00
library git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8608 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-11 19:09:14 +00:00
simple git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10965 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-11-04 21:06:38 +00:00
README git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9002 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-25 15:35:14 +00:00

README

This directory has examples of how to use LAMMPS as a library, either
by itself or in tandem with another code or library.

These examples is meant to illustrate what is possible when coupling
codes or calling LAMMPS as a library.  The examples are provided for
demonstration purposes.  The physics they calculate is too simple to
model a realistic problem.

See these sections of the LAMMPS manaul for details:

2.5 Building LAMMPS as a library (doc/Section_start.html#start_5)
6.10 Coupling LAMMPS to other codes (doc/Section_howto.html#howto_10)

In all of the examples included here, LAMMPS must first be built as a
library.  Basically, you type something like

make makelib
make -f Makefile.lib g++

in the LAMMPS src directory to create liblammps_g++.a

The library interface to LAMMPS is in src/library.cpp.  Routines can
be easily added to this file so an external program can perform the
LAMMPS tasks desired.

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These are the sub-directories included in this directory:

lammps_quest	    MD with quantum forces, coupling to Quest DFT code
lammps_spparks	    grain-growth Monte Carlo with strain via MD,
		    coupling to SPPARKS kinetic MC code
library		    collection of useful inter-code communication routines
simple		    simple example of driver code calling LAMMPS as library
fortran             a simple wrapper on the LAMMPS library API that
 		      can be called from Fortran
fortran2            a more sophisticated wrapper on the LAMMPS library API that
 		      can be called from Fortran

Each sub-directory has its own README.