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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9994 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2013-05-31 15:40:10 +00:00
parent 6732c9bbc0
commit 0e032e0785
2 changed files with 31 additions and 20 deletions
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26
doc/pair_gauss.html
View File

@ -109,7 +109,7 @@ more instructions on how to use the accelerated styles effectively.
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>These pair style do not support mixing. Thus, coefficients for all
<P>These pair styles do not support mixing. Thus, coefficients for all
I,J pairs must be specified explicitly.
</P>
<P>The <I>gauss</I> style does not support the <A HREF = "pair_modify.html">pair_modify</A>
@ -121,21 +121,17 @@ option for the energy of the Gauss-potential portion of the pair
interaction.
</P>
<P>The <A HREF = "pair_modify.html">pair_modify</A> table and tail options are not
relevant for this pair style.
relevant for these pair styles.
</P>
<P>This pair style does not support the <A HREF = "pair_modify.html">pair_modify</A>
table option, since a tabulation capability does not exist for this
potential.
</P>
<P>This pair style writes its information to <A HREF = "restart.html">binary restart
<P>These pair styles write their information to <A HREF = "restart.html">binary restart
files</A>, so pair_style and pair_coeff commands do not need
to be specified in an input script that reads a restart file.
</P>
<P>This pair style can only be used via the <I>pair</I> keyword of the
<A HREF = "run_style.html">run_style respa</A> command. It does not support the
<P>These pair styles can only be used via the <I>pair</I> keyword of the
<A HREF = "run_style.html">run_style respa</A> command. They do not support the
<I>inner</I>, <I>middle</I>, <I>outer</I> keywords.
</P>
<P>Thes <I>gauss</I> pair style tallies an "occupancy" count of how many Gaussian-well
<P>The <I>gauss</I> pair style tallies an "occupancy" count of how many Gaussian-well
sites have an atom within the distance at which the force is a maximum
= sqrt(0.5/b). This quantity can be accessed via the <A HREF = "compute_pair.html">compute
pair</A> command as a vector of values of length 1.
@ -162,4 +158,14 @@ LAMMPS</A> section for more info.
</P>
<P><B>Default:</B> none
</P>
<A NAME = "Lenart"></A>
<P><B>(Lenart)</B> Lenart , Jusufi, and Panagiotopoulos, J Chem Phys, 126,
044509 (2007).
</P>
<A NAME = "Jusufi"></A>
<P><B>(Jusufi)</B> Jusufi, Hynninen, and Panagiotopoulos, J Phys Chem B, 112,
13783 (2008).
</P>
</HTML>

25
doc/pair_gauss.txt
View File

@ -103,7 +103,7 @@ more instructions on how to use the accelerated styles effectively.
[Mixing, shift, table, tail correction, restart, rRESPA info]:
These pair style do not support mixing. Thus, coefficients for all
These pair styles do not support mixing. Thus, coefficients for all
I,J pairs must be specified explicitly.
The {gauss} style does not support the "pair_modify"_pair_modify.html
@ -115,21 +115,17 @@ option for the energy of the Gauss-potential portion of the pair
interaction.
The "pair_modify"_pair_modify.html table and tail options are not
relevant for this pair style.
relevant for these pair styles.
This pair style does not support the "pair_modify"_pair_modify.html
table option, since a tabulation capability does not exist for this
potential.
This pair style writes its information to "binary restart
These pair styles write their information to "binary restart
files"_restart.html, so pair_style and pair_coeff commands do not need
to be specified in an input script that reads a restart file.
This pair style can only be used via the {pair} keyword of the
"run_style respa"_run_style.html command. It does not support the
These pair styles can only be used via the {pair} keyword of the
"run_style respa"_run_style.html command. They do not support the
{inner}, {middle}, {outer} keywords.
Thes {gauss} pair style tallies an "occupancy" count of how many Gaussian-well
The {gauss} pair style tallies an "occupancy" count of how many Gaussian-well
sites have an atom within the distance at which the force is a maximum
= sqrt(0.5/b). This quantity can be accessed via the "compute
pair"_compute_pair.html command as a vector of values of length 1.
@ -155,3 +151,12 @@ LAMMPS"_Section_start.html#3 section for more info.
"pair_style coul/diel"_pair_coul_diel.html
[Default:] none
:link(Lenart)
[(Lenart)] Lenart , Jusufi, and Panagiotopoulos, J Chem Phys, 126,
044509 (2007).
:link(Jusufi)
[(Jusufi)] Jusufi, Hynninen, and Panagiotopoulos, J Phys Chem B, 112,
13783 (2008).