ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@491 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2007-04-19 23:25:27 +00:00
parent d082429dd7
commit aba05c2cf9
45 changed files with 958 additions and 155 deletions
Download Patch File Download Diff File Expand all files Collapse all files

56
doc/Section_start.html
View File

@ -272,6 +272,7 @@ can see the list of packages by typing "make package". The current
list of packages is as follows:
</P>
<DIV ALIGN=center><TABLE WIDTH="0%" BORDER=1 >
<TR><TD >asphere </TD><TD > aspherical particles</TD></TR>
<TR><TD >class2 </TD><TD > class 2 force fields</TD></TR>
<TR><TD >dpd </TD><TD > dissipative particle dynamics (DPD) force field</TD></TR>
<TR><TD >granular </TD><TD > force fields and boundary conditions for granular systems</TD></TR>
@ -293,7 +294,7 @@ This will produce a smaller executable which may run a bit faster.
<P>By default, LAMMPS includes only the "kspace", "manybody", and
"molecule" packages. As described below, some packages require LAMMPS
be linked to separately built library files, which will require
editing of your machine Makefile.
editing of your src/MAKE/Makefile.machine.
</P>
<P>Packages are included or excluded by typing "make yes-name" or "make
no-name", where "name" is the name of the package. You can also type
@ -316,33 +317,19 @@ overwrite files in the package directories with src files. Typing
"make package-check" will list differences between src and package
versions of the same files.
</P>
<P>To use the "poems" package you must build LAMMPS with the POEMS
library, which computes the constrained rigid-body motion of
articulated (jointed) multibody systems. POEMS was written and is
distributed by Prof Kurt Anderson's group at Rensselaer Polytechnic
Institute (RPI) and a version is included in the LAMMPS distribution
under the "lib" directory. To build LAMMPS with POEMS, you must use a
low-level LAMMPS Makefile that includes the POEMS directory in its
paths. See Makefile.g++_poems as an example. You must also build
POEMS itself as a library before building LAMMPS, so that LAMMPS can
link against it. The POEMS library is built by typing "make" from
within the poems directory with the appropriate Makefile, e.g. "make
-f Makefile.g++". If one of the provided Makefiles is not appropriate
for your system you can edit or add one as needed.
</P>
<P>To use the "meam" package you must build LAMMPS with the MEAM library,
which computes the modified embedded atom method potential, which is a
generalization of EAM potentials that can be used to model a wider
variety of materials. This MEAM implementation was written by Greg
Wagner at Sandia and is included under the "lib" directory. To build
LAMMPS with MEAM, you must use a low-level LAMMPS Makefile that
includes the MEAM directory in its paths. See Makefile.linux_meam as
an example. You must also build MEAM itself as a library before
building LAMMPS, so that LAMMPS can link against it. This requires a
F90 compiler. The library is built by typing "make" from within the
meam directory with the appropriate Makefile, e.g. "make -f
Makefile.icc". If one of the provided Makefiles is not appropriate
for your system you can edit or add one as needed.
<P>To use the "meam" package you must build LAMMPS with the MEAM library
in lib/meam, which computes the modified embedded atom method
potential, which is a generalization of EAM potentials that can be
used to model a wider variety of materials. This MEAM implementation
was written by Greg Wagner at Sandia. To build LAMMPS with MEAM, you
must use a low-level LAMMPS Makefile that includes the MEAM directory
in its paths. See Makefile.linux_meam as an example. You must also
build MEAM itself as a library before building LAMMPS, so that LAMMPS
can link against it. This requires a F90 compiler. The library is
built by typing "make" from within the meam directory with the
appropriate Makefile, e.g. "make -f Makefile.icc". If one of the
provided Makefiles is not appropriate for your system you can edit or
add one as needed.
</P>
<P>Note that linking a Fortran library to a C++ code can be problematic
(e.g. Fortran routine names can't be found due to non-standard
@ -350,6 +337,19 @@ underscore rules) and typically requires additional C++ or F90
libraries be included in the link. You may need to read documentation
for your compiler about how to do this correctly.
</P>
<P>To use the "poems" package you must build LAMMPS with the POEMS
library in lib/poems, which computes the constrained rigid-body motion
of articulated (jointed) multibody systems. POEMS was written and is
distributed by Prof Kurt Anderson's group at Rensselaer Polytechnic
Institute (RPI). To build LAMMPS with POEMS, you must use a low-level
LAMMPS Makefile that includes the POEMS directory in its paths. See
Makefile.g++_poems as an example. You must also build POEMS itself as
a library before building LAMMPS, so that LAMMPS can link against it.
The POEMS library is built by typing "make" from within the poems
directory with the appropriate Makefile, e.g. "make -f Makefile.g++".
If one of the provided Makefiles is not appropriate for your system
you can edit or add one as needed.
</P>
<H4><A NAME = "2_4"></A>2.4 Building LAMMPS as a library
</H4>
<P>LAMMPS can be built as a library, which can then be called from