git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8611 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-08-11 19:17:33 +00:00
parent f44c7cdc38
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@ -654,8 +654,8 @@ invoked with minimal overhead (no setup or clean-up) if you wish to do
multiple short runs, driven by another program. multiple short runs, driven by another program.
Examples of driver codes that call LAMMPS as a library are included in Examples of driver codes that call LAMMPS as a library are included in
the "couple" directory of the LAMMPS distribution; see couple/README the examples/COUPLE directory of the LAMMPS distribution; see
for more details: examples/COUPLE/README for more details:
simple: simple driver programs in C++ and C which invoke LAMMPS as a simple: simple driver programs in C++ and C which invoke LAMMPS as a
library :ulb,l library :ulb,l
@ -1807,11 +1807,12 @@ details.
The key idea of the library interface is that you can write any The key idea of the library interface is that you can write any
functions you wish to define how your code talks to LAMMPS and add functions you wish to define how your code talks to LAMMPS and add
them to src/library.cpp and src/library.h, as well as to the "Python them to src/library.cpp and src/library.h, as well as to the "Python
interface"_Section_python.html. The routines you add can access interface"_Section_python.html. The routines you add can access or
or change any LAMMPS data you wish. The couple and python directories change any LAMMPS data you wish. The examples/COUPLE and python
have example C++ and C and Python codes which show how a driver code directories have example C++ and C and Python codes which show how a
can link to LAMMPS as a library, run LAMMPS on a subset of processors, driver code can link to LAMMPS as a library, run LAMMPS on a subset of
grab data from LAMMPS, change it, and put it back into LAMMPS. processors, grab data from LAMMPS, change it, and put it back into
LAMMPS.
:line :line

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@ -39,7 +39,6 @@ sub-directories:
README: text file README: text file
LICENSE: the GNU General Public License (GPL) LICENSE: the GNU General Public License (GPL)
bench: benchmark problems bench: benchmark problems
couple: code coupling examples, using LAMMPS as a library
doc: documentation doc: documentation
examples: simple test problems examples: simple test problems
potentials: embedded atom method (EAM) potential files potentials: embedded atom method (EAM) potential files
@ -794,13 +793,14 @@ When used from a C or Fortran program or a scripting language, the
library has a simple function-style interface, provided in library has a simple function-style interface, provided in
src/library.cpp and src/library.h. src/library.cpp and src/library.h.
See the sample codes couple/simple/simple.cpp and simple.c as examples See the sample codes in the examples/COUPLE/simple directory as
of C++ and C codes that invoke LAMMPS thru its library interface. examples of C++ and C codes that invoke LAMMPS thru its library
There are other examples as well in the couple directory which are interface. There are other examples as well in the examples/COUPLE
discussed in "Section_howto 10"_Section_howto.html#howto_10 of the directory which are discussed in "Section_howto
manual. See "Section_python"_Section_python.html of the manual for a 10"_Section_howto.html#howto_10 of the manual. See
description of the Python wrapper provided with LAMMPS that operates "Section_python"_Section_python.html of the manual for a description
through the LAMMPS library interface. of the Python wrapper provided with LAMMPS that operates through the
LAMMPS library interface.
The files src/library.cpp and library.h contain the C-style interface The files src/library.cpp and library.h contain the C-style interface
to LAMMPS. See "Section_howto 19"_Section_howto.html#howto_19 of the to LAMMPS. See "Section_howto 19"_Section_howto.html#howto_19 of the