From 42d468abfa1ec0de4a55e4401e963d72cf840995 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Mon, 5 Mar 2012 16:13:04 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7913 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/USER-EWALDN/README | 14 ++++++++++---- 1 file changed, 10 insertions(+), 4 deletions(-) diff --git a/src/USER-EWALDN/README b/src/USER-EWALDN/README index e88839bd28..71e2da0f07 100644 --- a/src/USER-EWALDN/README +++ b/src/USER-EWALDN/README @@ -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.