git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8611 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
@ -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
|
||||||
|
|
||||||
|
|||||||
@ -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
|
||||||
|
|||||||
Reference in New Issue
Block a user