lijiext
/
lammps
mirror of https://github.com/lammps/lammps.git
1
0
Fork 1
Code Issues Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4110 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-05-07 15:28:16 +00:00
parent 6a1e42fb41
commit f1aa3776c5
2 changed files with 14 additions and 10 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

12
doc/pair_dpd.html
View File

@ -68,10 +68,10 @@ dropped. Also, during the run, T is set each timestep to a ramped
value from Tstart to Tstop.
</P>
<P>For style <I>dpd</I>, the pairwise energy associated with style <I>dpd</I> is
only due to the conservative force term Fc. The pairwise virial is
calculated using all 3 terms. For style <I>dpd/tstat</I> there is no
pairwise energy, but the last two terms of the formula make a
contribution to the virial.
only due to the conservative force term Fc, and is shifted to be zero
at the cutoff distance Rc. The pairwise virial is calculated using
all 3 terms. For style <I>dpd/tstat</I> there is no pairwise energy, but
the last two terms of the formula make a contribution to the virial.
</P>
<P>For style <I>dpd</I>, the following coefficients must be defined for each
pair of atoms types via the <A HREF = "pair_coeff.html">pair_coeff</A> command as in
@ -100,7 +100,9 @@ except that A is not included.
I,J pairs must be specified explicitly.
</P>
<P>These pair styles do not support the <A HREF = "pair_modify.html">pair_modify</A>
shift option for the energy of the pair interaction.
shift option for the energy of the pair interaction. Note that as
discussed above, the energy due to the conservative Fc term is already
shifted to be 0.0 at the cutoff distance Rc.
</P>
<P>The <A HREF = "pair_modify.html">pair_modify</A> table option is not relevant
for these pair styles.

12
doc/pair_dpd.txt
View File

@ -64,10 +64,10 @@ dropped. Also, during the run, T is set each timestep to a ramped
value from Tstart to Tstop.
For style {dpd}, the pairwise energy associated with style {dpd} is
only due to the conservative force term Fc. The pairwise virial is
calculated using all 3 terms. For style {dpd/tstat} there is no
pairwise energy, but the last two terms of the formula make a
contribution to the virial.
only due to the conservative force term Fc, and is shifted to be zero
at the cutoff distance Rc. The pairwise virial is calculated using
all 3 terms. For style {dpd/tstat} there is no pairwise energy, but
the last two terms of the formula make a contribution to the virial.
For style {dpd}, the following coefficients must be defined for each
pair of atoms types via the "pair_coeff"_pair_coeff.html command as in
@ -96,7 +96,9 @@ These pair styles do not support mixing. Thus, coefficients for all
I,J pairs must be specified explicitly.
These pair styles do not support the "pair_modify"_pair_modify.html
shift option for the energy of the pair interaction.
shift option for the energy of the pair interaction. Note that as
discussed above, the energy due to the conservative Fc term is already
shifted to be 0.0 at the cutoff distance Rc.
The "pair_modify"_pair_modify.html table option is not relevant
for these pair styles.