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. diff --git a/doc/Section_packages.txt b/doc/Section_packages.txt index 47b03c559b..d1c5416ef3 100644 --- a/doc/Section_packages.txt +++ b/doc/Section_packages.txt @@ -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 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.