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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10153 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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2013-06-28 17:09:43 +00:00
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24
doc/pair_coeff.html
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@ -77,6 +77,30 @@ from the I,I and J,J settings by mixing rules; see the
this option as it pertains to individual potentials are described on
the doc page for the potential.
</P>
<P>Many pair styles, typically for many-body potentials, use tabulated
potential files as input, when specifying the pair_coeff command.
Potential files provided with LAMMPS are in the potentials directory
of the distribution. For some potentials, such as EAM, other archives
of suitable files can be found on the Web. They can be used with
LAMMPS so long as they are in the format LAMMPS expects, as discussed
on the individual doc pages.
</P>
<P>When a pair_coeff command using a potential file is specified, LAMMPS
looks for the potential file in 2 places. First it looks in the
location specified. E.g. if the file is specified as "niu3.eam", it
is looked for in the current working directory. If it is specified as
"../potentials/niu3.eam", then it is looked for in the potentials
directory, assuming it is a sister directory of the current working
directory. If the file is not found, it is then looked for in the
directory specified by the LAMMPS_POTENTIALS environment variable.
Thus if this is set to the potentials directory in the LAMMPS distro,
then you can use those files from anywhere on your system, without
copying them into your working directory. Environment variables are
set in different ways for different shells. For example, in tcsh, you
could type the following or put it in your .cshrc file:
</P>
<PRE>% setenv LAMMPS_POTENTIALS /home/users/plimpton/lammps/potentials
</PRE>
<HR>
<P>Here is an alphabetic list of pair styles defined in LAMMPS. Click on

24
doc/pair_coeff.txt
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@ -74,6 +74,30 @@ from the I,I and J,J settings by mixing rules; see the
this option as it pertains to individual potentials are described on
the doc page for the potential.
Many pair styles, typically for many-body potentials, use tabulated
potential files as input, when specifying the pair_coeff command.
Potential files provided with LAMMPS are in the potentials directory
of the distribution. For some potentials, such as EAM, other archives
of suitable files can be found on the Web. They can be used with
LAMMPS so long as they are in the format LAMMPS expects, as discussed
on the individual doc pages.
When a pair_coeff command using a potential file is specified, LAMMPS
looks for the potential file in 2 places. First it looks in the
location specified. E.g. if the file is specified as "niu3.eam", it
is looked for in the current working directory. If it is specified as
"../potentials/niu3.eam", then it is looked for in the potentials
directory, assuming it is a sister directory of the current working
directory. If the file is not found, it is then looked for in the
directory specified by the LAMMPS_POTENTIALS environment variable.
Thus if this is set to the potentials directory in the LAMMPS distro,
then you can use those files from anywhere on your system, without
copying them into your working directory. Environment variables are
set in different ways for different shells. For example, in tcsh, you
could type the following or put it in your .cshrc file:
% setenv LAMMPS_POTENTIALS /home/users/plimpton/lammps/potentials :pre
:line
Here is an alphabetic list of pair styles defined in LAMMPS. Click on