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Commit 6d395ec5 authored by Tonnam Balankura's avatar Tonnam Balankura
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change name zhou to momb in docs, fix grammar

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...@@ -1035,6 +1035,7 @@ package"_Section_start.html#start_3. ...@@ -1035,6 +1035,7 @@ package"_Section_start.html#start_3.
"meam/spline (o)"_pair_meam_spline.html, "meam/spline (o)"_pair_meam_spline.html,
"meam/sw/spline"_pair_meam_sw_spline.html, "meam/sw/spline"_pair_meam_sw_spline.html,
"mgpt"_pair_mgpt.html, "mgpt"_pair_mgpt.html,
"momb"_pair_momb.html,
"morse/smooth/linear"_pair_morse.html, "morse/smooth/linear"_pair_morse.html,
"morse/soft"_pair_morse.html, "morse/soft"_pair_morse.html,
"multi/lucy"_pair_multi_lucy.html, "multi/lucy"_pair_multi_lucy.html,
...@@ -1061,8 +1062,7 @@ package"_Section_start.html#start_3. ...@@ -1061,8 +1062,7 @@ package"_Section_start.html#start_3.
"table/rx"_pair_table_rx.html, "table/rx"_pair_table_rx.html,
"tersoff/table (o)"_pair_tersoff.html, "tersoff/table (o)"_pair_tersoff.html,
"thole"_pair_thole.html, "thole"_pair_thole.html,
"tip4p/long/soft (o)"_pair_lj_soft.html, "tip4p/long/soft (o)"_pair_lj_soft.html :tb(c=4,ea=c)
"zhou"_pair_zhou.html :tb(c=4,ea=c)
:line :line
......
...@@ -6,11 +6,11 @@ ...@@ -6,11 +6,11 @@
:line :line
pair_style zhou command :h3 pair_style momb command :h3
[Syntax:] [Syntax:]
pair_style zhou cutoff s6 d :pre pair_style momb cutoff s6 d :pre
cutoff = global cutoff (distance units) cutoff = global cutoff (distance units)
s6 = global scaling factor of the exchange-correlation functional used (unitless) 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 ...@@ -18,22 +18,22 @@ d = damping scaling factor of Grimme's method (unitless) :ul
[Examples:] [Examples:]
pair_style zhou 12.0 0.75 20.0 pair_style momb 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 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:] [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 Morse potential and "(Grimme)"_#Grimme method implemented in the Many-Body
Metal-Organic (MOMB) force field described comprehensively in "(Fichthorn)"_#Fichthorn and 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. 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 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 examples above, or in the data file or restart files read by the
"read_data"_read_data.html as described below: "read_data"_read_data.html as described below:
...@@ -49,7 +49,7 @@ Rr (distance units, typically sum of atomic vdW radii) :ul ...@@ -49,7 +49,7 @@ Rr (distance units, typically sum of atomic vdW radii) :ul
[Restrictions:] [Restrictions:]
This style is part of the USER-MISC package. It is only enabled if 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. LAMMPS"_Section_start.html#start_3 section for more info.
[Related commands:] [Related commands:]
......
...@@ -60,6 +60,7 @@ Pair Styles :h1 ...@@ -60,6 +60,7 @@ Pair Styles :h1
pair_meam_sw_spline pair_meam_sw_spline
pair_mgpt pair_mgpt
pair_mie pair_mie
pair_momb
pair_morse pair_morse
pair_multi_lucy pair_multi_lucy
pair_multi_lucy_rx pair_multi_lucy_rx
...@@ -101,6 +102,5 @@ Pair Styles :h1 ...@@ -101,6 +102,5 @@ Pair Styles :h1
pair_yukawa_colloid pair_yukawa_colloid
pair_zbl pair_zbl
pair_zero pair_zero
pair_zhou
END_RST --> END_RST -->
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