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This commit is contained in:
Richard Berger
2020-06-16 07:20:09 -04:00
parent 95e79b2347
commit 9d74984144
29 changed files with 200 additions and 200 deletions
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14
doc/src/compute_mesont.rst
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@ -26,23 +26,23 @@ Examples
Description
"""""""""""
These computes define computations for the stretching (estretch), bending
(ebend), and intertube (etube) per-node (atom) and total energies. The
evaluated value is selected by a parameter passed to the compute: estretch,
These computes define computations for the stretching (estretch), bending
(ebend), and intertube (etube) per-node (atom) and total energies. The
evaluated value is selected by a parameter passed to the compute: estretch,
ebend, etube.
**Output info:**
These computes calculate per-node (per-atom) vectors, which can be accessed by
any command that uses per-atom values from a compute as input, and global
scalars. See the :doc:`Howto output <Howto_output>` doc page for an overview of
These computes calculate per-node (per-atom) vectors, which can be accessed by
any command that uses per-atom values from a compute as input, and global
scalars. See the :doc:`Howto output <Howto_output>` doc page for an overview of
LAMMPS output options.
The computed values are provided in energy :doc:`units <units>`.
Restrictions
""""""""""""
These computes are part of the USER-MESONT package. They are only enabled if
These computes are part of the USER-MESONT package. They are only enabled if
LAMMPS is built with that package. See the :doc:`Build package <Build_package>`
doc page for more info. In addition, :doc:`mesont pair_style <pair_style>`
must be used.

2
doc/src/compute_orientorder_atom.rst
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@ -26,7 +26,7 @@ Syntax
*wl* value = yes or no
*wl/hat* value = yes or no
*components* value = ldegree
*chunksize* value = number of atoms in each pass
*chunksize* value = number of atoms in each pass
Examples
""""""""

2
doc/src/compute_property_atom.rst
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@ -64,7 +64,7 @@ Syntax
end12x, end12y, end12z = end points of line segment
corner123x, corner123y, corner123z = corner points of triangle
nbonds = number of bonds assigned to an atom
buckling = buckling flag used in mesoscopic simulation of nanotubes
buckling = buckling flag used in mesoscopic simulation of nanotubes
.. parsed-literal::

6
doc/src/pair_mesont_tpm.rst
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@ -9,7 +9,7 @@ Syntax
.. parsed-literal::
pair_style mesont/tpm cut table_path BendingMode TPMType
pair_style mesont/tpm cut table_path BendingMode TPMType
* cut = the cutoff distance
* table_path = the path to the potential table
@ -114,7 +114,7 @@ study the thermal transport properties of carbon nanotube films
The methods for modeling of
the mechanical energy dissipation into heat (energy exchange between the
dynamic degrees of freedom of the mesoscopic model and the energy of atomic
vibrations that are not explicitly represented in the model)
vibrations that are not explicitly represented in the model)
:ref:`(Zhigilei10) <Zhigilei10>` and mesoscopic description of covalent cross-links
between nanotubes :ref:`(Banna) <Banna>` have also been developed but are not
included in this first release of the LAMMPS implementation of the force field.
@ -144,7 +144,7 @@ pair interactions.
The cutoff distance should be set to be at least :math:`max\left[2L,\sqrt{L^2/2+(2R+T_{cut})^2}\right]` ,
where L is the maximum segment length, R is the maximum tube radius, and
:math:`T_{cut}` = 10.2 A is the maximum distance between the surfaces of interacting
segments. Because of the use of extended chain concept at CNT ends, the recommended
segments. Because of the use of extended chain concept at CNT ends, the recommended
cutoff is 3L.
The MESONT-TABTP_10_10.xrs potential file provided with LAMMPS (see the