diff --git a/doc/src/pair_zhou.txt b/doc/src/pair_zhou.txt index 78eb7620b3..fece3afc92 100644 --- a/doc/src/pair_zhou.txt +++ b/doc/src/pair_zhou.txt @@ -25,10 +25,10 @@ pair_coeff 1 2 zhou 0.0 1.0 1.0 10.2847 2.361 :pre [Description:] -Style {zhou} computes pairwise van der Waals (vdW) interactions using the -"(Grimme)"_#Grimme method implemented in the Many-Body Metal-Organic (MOMB) -force field described extensively in "(Fichthorn)"_#Fichthorn and -"(Zhou)"_#Zhou4. This potential is widely used to correct for dispersion +Style {zhou} computes pairwise van der Waals (vdW) and short-range interactions using the +Morse potential and "(Grimme)"_#Grimme method implemented in the Many-Body +Metal-Organic (MOMB) force field described comprehensively in "(Fichthorn)"_#Fichthorn and +"(Zhou)"_#Zhou4. The Grimme's method is widely used to correct for dispersion in density functional theory calculations. :c,image(Eqs/pair_zhou.jpg) @@ -42,7 +42,7 @@ D0 (energy units) alpha (1/distance units) r0 (distance units) C6 (energy*distance^6 units) -Rr (distance units) :ul +Rr (distance units, typically sum of atomic vdW radii) :ul :line @@ -54,6 +54,12 @@ LAMMPS"_Section_start.html#start_3 section for more info. [Related commands:] +"pair_coeff"_pair_coeff.html, "pair_style morse"_pair_morse.html + +[Default:] none + +:line + :link(Grimme) [(Grimme)] Grimme, J Comput Chem, 27(15), 1787-1799 (2006).