change name zhou to momb in docs, fix grammar
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@ -1035,6 +1035,7 @@ package"_Section_start.html#start_3.
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"meam/spline (o)"_pair_meam_spline.html,
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"meam/sw/spline"_pair_meam_sw_spline.html,
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"mgpt"_pair_mgpt.html,
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"momb"_pair_momb.html,
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"morse/smooth/linear"_pair_morse.html,
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"morse/soft"_pair_morse.html,
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"multi/lucy"_pair_multi_lucy.html,
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@ -1061,8 +1062,7 @@ package"_Section_start.html#start_3.
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"table/rx"_pair_table_rx.html,
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"tersoff/table (o)"_pair_tersoff.html,
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"thole"_pair_thole.html,
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"tip4p/long/soft (o)"_pair_lj_soft.html,
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"zhou"_pair_zhou.html :tb(c=4,ea=c)
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"tip4p/long/soft (o)"_pair_lj_soft.html :tb(c=4,ea=c)
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:line
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@ -6,11 +6,11 @@
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:line
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pair_style zhou command :h3
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pair_style momb command :h3
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[Syntax:]
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pair_style zhou cutoff s6 d :pre
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pair_style momb cutoff s6 d :pre
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cutoff = global cutoff (distance units)
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s6 = global scaling factor of the exchange-correlation functional used (unitless)
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@ -18,22 +18,22 @@ d = damping scaling factor of Grimme's method (unitless) :ul
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[Examples:]
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pair_style zhou 12.0 0.75 20.0
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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
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pair_style momb 12.0 0.75 20.0
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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
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pair_coeff 1 2 zhou 0.0 1.0 1.0 10.2847 2.361 :pre
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pair_coeff 1 2 momb 0.0 1.0 1.0 10.2847 2.361 :pre
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[Description:]
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Style {zhou} computes pairwise van der Waals (vdW) and short-range interactions using the
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Style {momb} computes pairwise van der Waals (vdW) and short-range interactions using the
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Morse potential and "(Grimme)"_#Grimme method implemented in the Many-Body
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Metal-Organic (MOMB) force field described comprehensively in "(Fichthorn)"_#Fichthorn and
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"(Zhou)"_#Zhou4. The Grimme's method is widely used to correct for dispersion
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"(Zhou)"_#Zhou4. Grimme's method is widely used to correct for dispersion
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in density functional theory calculations.
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:c,image(Eqs/pair_zhou.jpg)
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:c,image(Eqs/pair_momb.jpg)
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For the {zhou} pair style, the following coefficients must be defined for each
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For the {momb} pair style, the following coefficients must be defined for each
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pair of atoms types via the "pair_coeff"_pair_coeff.html command as in the
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examples above, or in the data file or restart files read by the
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"read_data"_read_data.html as described below:
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@ -49,7 +49,7 @@ Rr (distance units, typically sum of atomic vdW radii) :ul
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[Restrictions:]
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This style is part of the USER-MISC package. It is only enabled if
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LAMMPS is build with that package. See the "Making of
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LAMMPS is built with that package. See the "Making of
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LAMMPS"_Section_start.html#start_3 section for more info.
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[Related commands:]
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@ -60,6 +60,7 @@ Pair Styles :h1
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pair_meam_sw_spline
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pair_mgpt
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pair_mie
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pair_momb
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pair_morse
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pair_multi_lucy
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pair_multi_lucy_rx
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@ -101,6 +102,5 @@ Pair Styles :h1
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pair_yukawa_colloid
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pair_zbl
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pair_zero
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pair_zhou
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END_RST -->
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