git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7913 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
@ -10,10 +10,16 @@ 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
|
||||
Buckingham interactions that can also be used with ewald/n.
|
||||
|
||||
Another advantage of kspace_style ewald/n is that it can be used with
|
||||
non-orthogonal (triclinic symmetry) simulation boxes, either for just
|
||||
long-range Coulombic interactions, or for both Coulombic and 1/r^N LJ
|
||||
or Buckingham, which is not currently possible for other kspace styles
|
||||
Two other advantages of kspace_style ewald/n are that
|
||||
|
||||
a) it can be used with non-orthogonal (triclinic symmetry) simulation
|
||||
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.
|
||||
|
||||
See the doc pages for these commands for details.
|
||||
|
||||
Reference in New Issue
Block a user