diff --git a/doc/src/Packages_details.rst b/doc/src/Packages_details.rst index 039b9833fe..85475ef16a 100644 --- a/doc/src/Packages_details.rst +++ b/doc/src/Packages_details.rst @@ -1556,9 +1556,9 @@ MESONT package **Contents:** -MESONT is a LAMMPS package for simulation of nanomechanics of -nanotubes (NTs). The model is based on a coarse-grained representation -of NTs as "flexible cylinders" consisting of a variable number of +MESONT is a LAMMPS package for simulation of nanomechanics of nanotubes +(NTs). The model is based on a coarse-grained representation of NTs as +"flexible cylinders" consisting of a variable number of segments. Internal interactions within a NT and the van der Waals interaction between the tubes are described by a mesoscopic force field designed and parameterized based on the results of atomic-level @@ -1566,26 +1566,28 @@ molecular dynamics simulations. The description of the force field is provided in the papers listed below. This package contains two independent implementations of this model: -:doc:`pair_style mesont/tpm ` is the original implemention -of the model based on a Fortran library in the ``lib/mesont`` folder. The -second implementation is given by the mesocnt styles (:doc:`bond_style mesocnt `, -:doc:`angle_style mesocnt ` and :doc:`pair_style mesocnt `). -The mesocnt implemenation has the same features as the original implementation with the -addition of friction, -but is directly implemented in C++, interfaces more cleanly with general LAMMPS -functionality and is typically faster. It also doesn't require its own atom style -and can be installed without any external libraries. +:doc:`pair_style mesont/tpm ` is the original +implementation of the model based on a Fortran library in the +``lib/mesont`` folder. The second implementation is provided by the +mesocnt styles (:doc:`bond_style mesocnt `, +:doc:`angle_style mesocnt ` and :doc:`pair_style mesocnt +`). The mesocnt implementation has the same features as +the original implementation with the addition of friction, but is +directly implemented in C++, interfaces more cleanly with general LAMMPS +functionality, and is typically faster. It also does not require its own +atom style and can be installed without any external libraries. **Download of potential files:** -The potential files for these pair styles are *very* large and thus -are not included in the regular downloaded packages of LAMMPS or the -git repositories. Instead, they will be automatically downloaded -from a web server when the package is installed for the first time. +The potential files for these pair styles are *very* large and thus are +not included in the regular downloaded packages of LAMMPS or the git +repositories. Instead, they will be automatically downloaded from a web +server when the package is installed for the first time. **Authors of the *mesont* styles:** -Maxim V. Shugaev (University of Virginia), Alexey N. Volkov (University of Alabama), Leonid V. Zhigilei (University of Virginia) +Maxim V. Shugaev (University of Virginia), Alexey N. Volkov (University +of Alabama), Leonid V. Zhigilei (University of Virginia) **Author of the *mesocnt* styles:** Philipp Kloza (U Cambridge) diff --git a/doc/src/angle_mesocnt.rst b/doc/src/angle_mesocnt.rst index 391e362db1..c960a3a058 100644 --- a/doc/src/angle_mesocnt.rst +++ b/doc/src/angle_mesocnt.rst @@ -40,7 +40,7 @@ the harmonic and linear regime respectively and :math:`\Delta \theta_\text{B}` is the buckling angle. Note that the usual 1/2 factor for the harmonic potential is included in :math:`K_\text{H}`. -The style implements parametrisation presets of :math:`K_\text{H}`, +The style implements parameterization presets of :math:`K_\text{H}`, :math:`K_\text{B}` and :math:`\Delta \theta_\text{B}` for mesoscopic simulations of carbon nanotubes based on the atomistic simulations of :ref:`(Srivastava) ` and buckling considerations of @@ -68,14 +68,14 @@ Preset *C* is for carbon nanotubes, and the additional parameters are: Here, :math:`r_0` is the equilibrium distance of the bonds included in the angle, see :doc:`bond_style mesocnt `. -In harmonic mode with preset *custom*, the additional paramter is: +In harmonic mode with preset *custom*, the additional parameter is: * :math:`K_\text{H}` (energy) Hence, this setting is simply a wrapper for :doc:`bond_style harmonic ` with an equilibrium angle of 180 degrees. -In harmonic mode with preset *custom*, the additional paramters are: +In harmonic mode with preset *custom*, the additional parameters are: * :math:`K_\text{H}` (energy) * :math:`K_\text{B}` (energy) diff --git a/doc/src/bond_mesocnt.rst b/doc/src/bond_mesocnt.rst index 952fc8aac5..f9a4cd5aba 100644 --- a/doc/src/bond_mesocnt.rst +++ b/doc/src/bond_mesocnt.rst @@ -31,7 +31,7 @@ The *mesocnt* bond style is a wrapper for the :doc:`harmonic where :math:`r_0` is the equilibrium bond distance. Note that the usual 1/2 factor is included in :math:`K`. The style implements -parametrisation presets of :math:`K` for mesoscopic simulations of +parameterization presets of :math:`K` for mesoscopic simulations of carbon nanotubes based on the atomistic simulations of :ref:`(Srivastava) `. diff --git a/doc/src/bond_style.rst b/doc/src/bond_style.rst index 896d99ed1d..9197e6c4eb 100644 --- a/doc/src/bond_style.rst +++ b/doc/src/bond_style.rst @@ -95,7 +95,7 @@ accelerated styles exist. * :doc:`harmonic ` - harmonic bond * :doc:`harmonic/shift ` - shifted harmonic bond * :doc:`harmonic/shift/cut ` - shifted harmonic bond with a cutoff -* :doc:`mesocnt ` - Harmonic bond wrapper with parametrisation presets for nanotubes +* :doc:`mesocnt ` - Harmonic bond wrapper with parameterization presets for nanotubes * :doc:`mm3 ` - MM3 anharmonic bond * :doc:`morse ` - Morse bond * :doc:`nonlinear ` - nonlinear bond diff --git a/doc/src/pair_mesocnt.rst b/doc/src/pair_mesocnt.rst index d45ffcbb72..cb3a61e94c 100644 --- a/doc/src/pair_mesocnt.rst +++ b/doc/src/pair_mesocnt.rst @@ -97,7 +97,7 @@ shifted logistic function: ---------- -In the pair_style command, the modes described above can be toggeled +In the pair_style command, the modes described above can be toggled using the *segment* or *chain* keywords. The neighbor list cutoff defines the cutoff within which atoms are included in the neighbor list for constructing neighboring CNT chains. This is different from diff --git a/doc/utils/sphinx-config/false_positives.txt b/doc/utils/sphinx-config/false_positives.txt index 8b3689c367..416f47654d 100644 --- a/doc/utils/sphinx-config/false_positives.txt +++ b/doc/utils/sphinx-config/false_positives.txt @@ -2249,6 +2249,7 @@ nanoparticles nanotube Nanotube nanotubes +nanowires Narulkar nasa nasr