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@7914 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2012-03-05 16:13:14 +00:00
parent 42d468abfa
commit 5d7feb1f6a
2 changed files with 20 additions and 8 deletions
Download Patch File Download Diff File Expand all files Collapse all files

14
doc/Section_packages.html
View File

@ -336,10 +336,16 @@ lj/cut/coul/long can be used with ewald/n. The two new pair_style
commands provide the modifications for the short-range LJ and commands provide the modifications for the short-range LJ and
Buckingham interactions that can also be used with ewald/n. Buckingham interactions that can also be used with ewald/n.
</P> </P>
<P>Another advantage of kspace_style ewald/n is that it can be used with <P>Two other advantages of kspace_style ewald/n are that
non-orthogonal (triclinic symmetry) simulation boxes, either for just </P>
long-range Coulombic interactions, or for both Coulombic and 1/r^N LJ <P>a) it can be used with non-orthogonal (triclinic symmetry) simulation
or Buckingham, which is not currently possible for other kspace styles boxes
</P>
<P>b) it can include long-range summations not just for Coulombic
interactions (1/r), but also for dispersion interactions (1/r^6) and
dipole interactions (1/r^3).
</P>
<P>Neither of these options is currently possible for other kspace styles
such as PPPM and ewald. such as PPPM and ewald.
</P> </P>
<P>See the doc pages for these commands for details. <P>See the doc pages for these commands for details.

14
doc/Section_packages.txt
View File

@ -324,10 +324,16 @@ lj/cut/coul/long can be used with ewald/n. The two new pair_style
commands provide the modifications for the short-range LJ and commands provide the modifications for the short-range LJ and
Buckingham interactions that can also be used with ewald/n. Buckingham interactions that can also be used with ewald/n.
Another advantage of kspace_style ewald/n is that it can be used with Two other advantages of kspace_style ewald/n are that
non-orthogonal (triclinic symmetry) simulation boxes, either for just
long-range Coulombic interactions, or for both Coulombic and 1/r^N LJ a) it can be used with non-orthogonal (triclinic symmetry) simulation
or Buckingham, which is not currently possible for other kspace styles boxes
b) it can include long-range summations not just for Coulombic
interactions (1/r), but also for dispersion interactions (1/r^6) and
dipole interactions (1/r^3).
Neither of these options is currently possible for other kspace styles
such as PPPM and ewald. such as PPPM and ewald.
See the doc pages for these commands for details. See the doc pages for these commands for details.