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edit description and add related commands and default

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Tonnam Balankura
2017-03-22 16:56:40 -04:00
parent daae76c465
commit bf560e78f3
1 changed files with 11 additions and 5 deletions
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16
doc/src/pair_zhou.txt
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@ -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).