diff --git a/doc/src/Eqs/pair_zhou.jpg b/doc/src/Eqs/pair_momb.jpg similarity index 100% rename from doc/src/Eqs/pair_zhou.jpg rename to doc/src/Eqs/pair_momb.jpg diff --git a/doc/src/Eqs/pair_zhou.tex b/doc/src/Eqs/pair_momb.tex similarity index 100% rename from doc/src/Eqs/pair_zhou.tex rename to doc/src/Eqs/pair_momb.tex diff --git a/doc/src/Section_commands.txt b/doc/src/Section_commands.txt index f111fc1fe1027204201abad92bf5e0153bf9298d..5e3247af994626ac3392a424e487c56647ce75f4 100644 --- a/doc/src/Section_commands.txt +++ b/doc/src/Section_commands.txt @@ -1035,6 +1035,7 @@ package"_Section_start.html#start_3. "meam/spline (o)"_pair_meam_spline.html, "meam/sw/spline"_pair_meam_sw_spline.html, "mgpt"_pair_mgpt.html, +"momb"_pair_momb.html, "morse/smooth/linear"_pair_morse.html, "morse/soft"_pair_morse.html, "multi/lucy"_pair_multi_lucy.html, @@ -1061,8 +1062,7 @@ package"_Section_start.html#start_3. "table/rx"_pair_table_rx.html, "tersoff/table (o)"_pair_tersoff.html, "thole"_pair_thole.html, -"tip4p/long/soft (o)"_pair_lj_soft.html, -"zhou"_pair_zhou.html :tb(c=4,ea=c) +"tip4p/long/soft (o)"_pair_lj_soft.html :tb(c=4,ea=c) :line diff --git a/doc/src/pair_zhou.txt b/doc/src/pair_momb.txt similarity index 74% rename from doc/src/pair_zhou.txt rename to doc/src/pair_momb.txt index fece3afc920ddf591120aa86280b5b4a7ca909b4..ff822242a2135eb728cb12b2dbbd7fedc0496228 100644 --- a/doc/src/pair_zhou.txt +++ b/doc/src/pair_momb.txt @@ -6,11 +6,11 @@ :line -pair_style zhou command :h3 +pair_style momb command :h3 [Syntax:] -pair_style zhou cutoff s6 d :pre +pair_style momb cutoff s6 d :pre cutoff = global cutoff (distance units) s6 = global scaling factor of the exchange-correlation functional used (unitless) @@ -18,22 +18,22 @@ d = damping scaling factor of Grimme's method (unitless) :ul [Examples:] -pair_style zhou 12.0 0.75 20.0 -pair_style hybrid/overlay eam/fs lj/charmm/coul/long 10.0 12.0 zhou 12.0 0.75 20.0 morse 5.5 :pre +pair_style momb 12.0 0.75 20.0 +pair_style hybrid/overlay eam/fs lj/charmm/coul/long 10.0 12.0 momb 12.0 0.75 20.0 morse 5.5 :pre -pair_coeff 1 2 zhou 0.0 1.0 1.0 10.2847 2.361 :pre +pair_coeff 1 2 momb 0.0 1.0 1.0 10.2847 2.361 :pre [Description:] -Style {zhou} computes pairwise van der Waals (vdW) and short-range interactions using the +Style {momb} 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 +"(Zhou)"_#Zhou4. Grimme's method is widely used to correct for dispersion in density functional theory calculations. -:c,image(Eqs/pair_zhou.jpg) +:c,image(Eqs/pair_momb.jpg) -For the {zhou} pair style, the following coefficients must be defined for each +For the {momb} pair style, the following coefficients must be defined for each pair of atoms types via the "pair_coeff"_pair_coeff.html command as in the examples above, or in the data file or restart files read by the "read_data"_read_data.html as described below: @@ -49,7 +49,7 @@ Rr (distance units, typically sum of atomic vdW radii) :ul [Restrictions:] This style is part of the USER-MISC package. It is only enabled if -LAMMPS is build with that package. See the "Making of +LAMMPS is built with that package. See the "Making of LAMMPS"_Section_start.html#start_3 section for more info. [Related commands:] diff --git a/doc/src/pairs.txt b/doc/src/pairs.txt index 58f4b5b078fca1685ae63c25e935e1667808488f..daec067bfe01e450e4af340c4bf34f217359caa2 100644 --- a/doc/src/pairs.txt +++ b/doc/src/pairs.txt @@ -60,6 +60,7 @@ Pair Styles :h1 pair_meam_sw_spline pair_mgpt pair_mie + pair_momb pair_morse pair_multi_lucy pair_multi_lucy_rx @@ -101,6 +102,5 @@ Pair Styles :h1 pair_yukawa_colloid pair_zbl pair_zero - pair_zhou END_RST -->