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Merge pull request #3421 from phankl/mesocnt_stable

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Major update to mesocnt styles
This commit is contained in:
Axel Kohlmeyer
2022-08-31 11:54:22 -04:00
committed by GitHub
parent dd4260da77 0c23ba71df
commit 22f7255e1d
28 changed files with 241044 additions and 2219 deletions
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2
doc/src/Commands_bond.rst
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@ -44,6 +44,7 @@ OPT.
* :doc:`harmonic (iko) <bond_harmonic>`
* :doc:`harmonic/shift (o) <bond_harmonic_shift>`
* :doc:`harmonic/shift/cut (o) <bond_harmonic_shift_cut>`
* :doc:`mesocnt <bond_mesocnt>`
* :doc:`mm3 <bond_mm3>`
* :doc:`morse (o) <bond_morse>`
* :doc:`nonlinear (o) <bond_nonlinear>`
@ -92,6 +93,7 @@ OPT.
* :doc:`fourier/simple (o) <angle_fourier_simple>`
* :doc:`gaussian <angle_gaussian>`
* :doc:`harmonic (iko) <angle_harmonic>`
* :doc:`mesocnt <angle_mesocnt>`
* :doc:`mm3 <angle_mm3>`
* :doc:`quartic (o) <angle_quartic>`
* :doc:`spica (o) <angle_spica>`

1
doc/src/Commands_pair.rst
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@ -201,6 +201,7 @@ OPT.
* :doc:`meam/spline (o) <pair_meam_spline>`
* :doc:`meam/sw/spline <pair_meam_sw_spline>`
* :doc:`mesocnt <pair_mesocnt>`
* :doc:`mesocnt/viscous <pair_mesocnt>`
* :doc:`mesont/tpm <pair_mesont_tpm>`
* :doc:`mgpt <pair_mgpt>`
* :doc:`mie/cut (g) <pair_mie>`

39
doc/src/Packages_details.rst
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@ -1556,31 +1556,40 @@ 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
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 mesocnt
<pair_mesocnt>` is a (minimal) C++ implementation, and :doc:`pair_style
mesont/tpm <pair_mesont_tpm>` is a more general and feature rich
implementation based on a Fortran library in the ``lib/mesont`` folder.
provided in the papers listed below.
This package contains two independent implementations of this model:
:doc:`pair_style mesont/tpm <pair_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 <bond_mesocnt>`,
:doc:`angle_style mesocnt <angle_mesocnt>` and :doc:`pair_style mesocnt
<pair_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* pair style:**
**Author of the *mesocnt* styles:**
Philipp Kloza (U Cambridge)
**Supporting info:**
@ -1590,6 +1599,8 @@ Philipp Kloza (U Cambridge)
* :doc:`atom_style mesont <atom_style>`
* :doc:`pair_style mesont/tpm <pair_mesont_tpm>`
* :doc:`compute mesont <compute_mesont>`
* :doc:`bond_style mesocnt <bond_mesocnt>`
* :doc:`angle_style mesocnt <angle_mesocnt>`
* :doc:`pair_style mesocnt <pair_mesocnt>`
* examples/PACKAGES/mesont
* tools/mesont

146
doc/src/angle_mesocnt.rst Normal file
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@ -0,0 +1,146 @@
.. index:: angle_style mesocnt
angle_style mesocnt command
===========================
Syntax
""""""
.. code-block:: LAMMPS
angle_style mesocnt
Examples
""""""""
.. code-block:: LAMMPS
angle_style mesocnt
angle_coeff 1 buckling C 10 10 20.0
angle_coeff 4 harmonic C 8 4 10.0
angle_coeff 2 buckling custom 400.0 50.0 5.0
angle_coeff 1 harmonic custom 300.0
Description
"""""""""""
.. versionadded:: TBD
The *mesocnt* angle style uses the potential
.. math::
E = K_\text{H} \Delta \theta^2, \qquad |\Delta \theta| < \Delta
\theta_\text{B} \\
E = K_\text{H} \Delta \theta_\text{B}^2 +
K_\text{B} (\Delta \theta - \Delta \theta_\text{B}), \qquad |\Delta
\theta| \geq \Delta \theta_\text{B}
where :math:`\Delta \theta = \theta - \pi` is the bending angle of the
nanotube, :math:`K_\text{H}` and :math:`K_\text{B}` are prefactors for
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 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) <Srivastava_2>` and buckling considerations of
:ref:`(Zhigilei) <Zhigilei1_1>`.
The following coefficients must be defined for each angle type via the
:doc:`angle_coeff <angle_coeff>` command as in the examples above, or
in the data file or restart files read by the :doc:`read_data
<read_data>` or :doc:`read_restart <read_restart>` commands:
* mode = *buckling* or *harmonic*
* preset = *C* or *custom*
* additional parameters depending on preset
If mode *harmonic* is chosen, the potential is simply harmonic and
does not switch to the linear term when the buckling angle is
reached. In *buckling* mode, the full piecewise potential is used.
Preset *C* is for carbon nanotubes, and the additional parameters are:
* chiral index :math:`n` (unitless)
* chiral index :math:`m` (unitless)
* :math:`r_0` (distance)
Here, :math:`r_0` is the equilibrium distance of the bonds included in
the angle, see :doc:`bond_style mesocnt <bond_mesocnt>`.
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
<bond_harmonic>` with an equilibrium angle of 180 degrees.
In harmonic mode with preset *custom*, the additional parameters are:
* :math:`K_\text{H}` (energy)
* :math:`K_\text{B}` (energy)
* :math:`\Delta \theta_\text{B}` (degrees)
:math:`\Delta \theta_\text{B}` is specified in degrees, but LAMMPS
converts it to radians internally; hence :math:`K_\text{H}` is
effectively energy per radian\^2 and :math:`K_\text{B}` is energy per
radian.
----------
In *buckling* mode, this angle style adds the *buckled* property to
all atoms in the simulation, which is an integer flag indicating
whether the bending angle at a given atom has exceeded :math:`\Delta
\theta_\text{B}`. It can be accessed as an atomic variable, e.g. for
custom dump commands, as *i_buckled*.
.. note::
If the initial state of the simulation contains buckled nanotubes
and :doc:`pair_style mesocnt <pair_mesocnt>` is used, the
*i_buckled* atomic variable needs to be initialized before the
pair_style is defined by doing a *run 0* command straight after the
angle_style command. See below for an example.
If CNTs are already buckled at the start of the simulation, this
script will correctly initialize *i_buckled*:
.. code-block:: LAMMPS
angle_style mesocnt
angle_coeff 1 buckling C 10 10 20.0
run 0
pair_style mesocnt 60.0
pair_coeff * * C_10_10.mesocnt 1
Restrictions
""""""""""""
This angle style can only be used if LAMMPS was built with the
MOLECULE and MESONT packages. See the :doc:`Build package
<Build_package>` doc page for more info.
Related commands
""""""""""""""""
:doc:`angle_coeff <angle_coeff>`
Default
"""""""
none
----------
.. _Srivastava_2:
**(Srivastava)** Zhigilei, Wei, Srivastava, Phys. Rev. B 71, 165417
(2005).
.. _Zhigilei1_1:
**(Zhigilei)** Volkov and Zhigilei, ACS Nano 4, 6187 (2010).

1
doc/src/angle_style.rst
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@ -90,6 +90,7 @@ of (g,i,k,o,t) to indicate which accelerated styles exist.
* :doc:`fourier/simple <angle_fourier_simple>` - angle with a single cosine term
* :doc:`gaussian <angle_gaussian>` - multi-centered Gaussian-based angle potential
* :doc:`harmonic <angle_harmonic>` - harmonic angle
* :doc:`mesocnt <angle_mesocnt>` - piecewise harmonic and linear angle for bending-buckling of nanotubes
* :doc:`mm3 <angle_mm3>` - anharmonic angle
* :doc:`quartic <angle_quartic>` - angle with cubic and quartic terms
* :doc:`spica <angle_spica>` - harmonic angle with repulsive SPICA pair style between 1-3 atoms

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doc/src/bond_mesocnt.rst Normal file
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@ -0,0 +1,84 @@
.. index:: bond_style mesocnt
bond_style mesocnt command
===========================
Syntax
""""""
.. code-block:: LAMMPS
bond_style mesocnt
Examples
""""""""
.. code-block:: LAMMPS
bond_style mesocnt
bond_coeff 1 C 10 10 20.0
bond_coeff 4 custom 800.0 10.0
Description
"""""""""""
.. versionadded:: TBD
The *mesocnt* bond style is a wrapper for the :doc:`harmonic
<bond_harmonic>` style, and uses the potential
.. math::
E = K (r - r_0)^2
where :math:`r_0` is the equilibrium bond distance. Note that the
usual 1/2 factor is included in :math:`K`. The style implements
parameterization presets of :math:`K` for mesoscopic simulations of
carbon nanotubes based on the atomistic simulations of
:ref:`(Srivastava) <Srivastava_1>`.
Other presets can be readily implemented in the future.
The following coefficients must be defined for each bond type via the
:doc:`bond_coeff <bond_coeff>` command as in the example above, or in
the data file or restart files read by the :doc:`read_data
<read_data>` or :doc:`read_restart <read_restart>` commands:
* preset = *C* or *custom*
* additional parameters depending on preset
Preset *C* is for carbon nanotubes, and the additional parameters are:
* chiral index :math:`n` (unitless)
* chiral index :math:`m` (unitless)
* :math:`r_0` (distance)
Preset *custom* is simply a direct wrapper for the :doc:`harmonic
<bond_harmonic>` style, and the additional parameters are:
* :math:`K` (energy/distance\^2)
* :math:`r_0` (distance)
Restrictions
""""""""""""
This bond style can only be used if LAMMPS was built with the MOLECULE
and MESONT packages. See the :doc:`Build package <Build_package>`
page for more info.
Related commands
""""""""""""""""
:doc:`bond_coeff <bond_coeff>`, :doc:`delete_bonds <delete_bonds>`
Default
"""""""
none
----------
.. _Srivastava_1:
**(Srivastava)** Zhigilei, Wei and Srivastava, Phys. Rev. B 71, 165417
(2005).

1
doc/src/bond_style.rst
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@ -95,6 +95,7 @@ accelerated styles exist.
* :doc:`harmonic <bond_harmonic>` - harmonic bond
* :doc:`harmonic/shift <bond_harmonic_shift>` - shifted harmonic bond
* :doc:`harmonic/shift/cut <bond_harmonic_shift_cut>` - shifted harmonic bond with a cutoff
* :doc:`mesocnt <bond_mesocnt>` - Harmonic bond wrapper with parameterization presets for nanotubes
* :doc:`mm3 <bond_mm3>` - MM3 anharmonic bond
* :doc:`morse <bond_morse>` - Morse bond
* :doc:`nonlinear <bond_nonlinear>` - nonlinear bond

242
doc/src/pair_mesocnt.rst
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@ -1,68 +1,153 @@
.. index:: pair_style mesocnt
.. index:: pair_style mesocnt/viscous
pair_style mesocnt command
==========================
pair_style mesocnt/viscous command
==================================
Syntax
""""""
.. code-block:: LAMMPS
pair_style mesocnt
pair_style style neigh_cutoff mode neigh_mode
* style = *mesocnt* or *mesocnt/viscous*
* neigh_cutoff = neighbor list cutoff (distance units)
* mode = *chain* or *segment* (optional)
* neigh_mode = *id* or *topology* (optional)
Examples
""""""""
.. code-block:: LAMMPS
pair_style mesocnt
pair_coeff * * 10_10.cnt
pair_style mesocnt 30.0
pair_coeff * * C_10_10.mesocnt 2
pair_style mesocnt/viscous 60.0 chain topology
pair_coeff * * C_10_10.mesocnt 0.001 20.0 0.2 2 4
Description
"""""""""""
Style *mesocnt* implements a mesoscopic potential
for the interaction of carbon nanotubes (CNTs). In this potential,
CNTs are modelled as chains of cylindrical segments in which
each infinitesimal surface element interacts with all other
CNT surface elements with the Lennard-Jones (LJ) term adopted from
the :doc:`airebo <pair_airebo>` style. The interaction energy
is then computed by integrating over the surfaces of all interacting
CNTs.
Style *mesocnt* implements a mesoscopic potential for the interaction
of carbon nanotubes (CNTs), or other quasi-1D objects such as other
kinds of nanotubes or nanowires. In this potential, CNTs are modelled
as chains of cylindrical segments in which each infinitesimal surface
element interacts with all other CNT surface elements with the
Lennard-Jones (LJ) term adopted from the :doc:`airebo <pair_airebo>`
style. The interaction energy is then computed by integrating over the
surfaces of all interacting CNTs.
The potential is based on interactions between one cylindrical
segment and infinitely or semi-infinitely long CNTs as described
in :ref:`(Volkov1) <Volkov1>`. Chains of segments are
converted to these (semi-)infinite CNTs bases on an approximate
chain approach outlined in :ref:`(Volkov2) <Volkov2>`.
This allows to simplify the computation of the interactions
significantly and reduces the computational times to the
same order of magnitude as for regular bead spring models
where beads interact with the standard :doc:`pair_lj/cut <pair_lj>`
potential.
In LAMMPS, cylindrical segments are represented by bonds. Each segment
is defined by its two end points ("nodes") which correspond to atoms
in LAMMPS. For the exact functional form of the potential and
implementation details, the reader is referred to the original papers
:ref:`(Volkov1) <Volkov1>` and :ref:`(Volkov2) <Volkov2>`.
In LAMMPS, cylindrical segments are represented by bonds. Each
segment is defined by its two end points ("nodes") which correspond
to atoms in LAMMPS. For the exact functional form of the potential
and implementation details, the reader is referred to the
original papers :ref:`(Volkov1) <Volkov1>` and
:ref:`(Volkov2) <Volkov2>`.
.. versionchanged:: TBD
The potential requires tabulated data provided in a single ASCII
text file specified in the :doc:`pair_coeff <pair_coeff>` command.
The first line of the file provides a time stamp and
general information. The second line lists four integers giving
the number of data points provided in the subsequent four
data tables. The third line lists four floating point numbers:
the CNT radius R, the LJ parameter sigma and two numerical
parameters delta1 and delta2. These four parameters are given
in Angstroms. This is followed by four data tables each separated
by a single empty line. The first two tables have two columns
and list the parameters uInfParallel and Gamma respectively.
The last two tables have three columns giving data on a quadratic
array and list the parameters Phi and uSemiParallel respectively.
uInfParallel and uSemiParallel are given in eV/Angstrom, Phi is
given in eV and Gamma is unitless.
The potential supports two modes, *segment* and *chain*. By default,
*chain* mode is enabled. In *segment* mode, interactions are
pair-wise between all neighboring segments based on a segment-segment
approach (keyword *segment* in pair_style command). In *chain* mode,
interactions are calculated between each segment and infinitely or
semi-infinitely long CNTs as described in :ref:`(Volkov1) <Volkov1>`.
Chains of segments are converted to these (semi-)infinite CNTs bases
on an approximate chain approach outlined in :ref:`(Volkov2)
<Volkov2>`. Hence, interactions are calculated on a segment-chain
basis (keyword *chain* in the pair_style command). Using *chain* mode
allows to simplify the computation of the interactions significantly
and reduces the computational times to the same order of magnitude as
for regular bead spring models where beads interact with the standard
:doc:`pair_lj/cut <pair_lj>` potential. However, this method is only
valid when the curvature of the CNTs in the system is small. When
CNTs are buckled (see :doc:`angle_mesocnt <angle_mesocnt>`), local
curvature can be very high and the pair_style automatically switches
to *segment* mode for interactions involving buckled CNTs.
The potential further implements two different neighbor list
construction modes. Mode *id* uses atom and mol IDs to construct
neighbor lists while *topology* modes uses only the bond topology of
the system. While *id* mode requires bonded atoms to have consecutive
LAMMPS atom IDs and atoms in different CNTs to have different LAMMPS
molecule IDs, *topology* mode has no such requirement. Using *id* mode
is faster and is enabled by default.
.. note::
Neighbor *id* mode requires all CNTs in the system to have distinct
LAMMPS molecule IDs and bonded atoms to have consecutive LAMMPS atom
IDs. If this is not possible (e.g. in simulations of CNT rings),
*topology* mode needs to be enabled in the pair_style command.
.. versionadded:: TBD
In addition to the LJ interactions described above, style
*mesocnt/viscous* explicitly models friction between neighboring
segments. Friction forces are a function of the relative velocity
between a segment and its neighboring approximate chain (even in
*segment* mode) and only act along the axes of the interacting segment
and chain. In this potential, friction forces acting per unit length
of a nanotube segent are modelled as a shifted logistic function:
.. math::
F^{\text{FRICTION}}(v) / L = \frac{F^{\text{max}}}{1 +
\exp(-k(v-v_0))} - \frac{F^{\text{max}}}{1 + \exp(k v_0)}
----------
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
the potential cutoff, which is directly calculated from parameters
specified in the potential file. We recommend using a neighbor list
cutoff of at least 3 times the maximum segment length used in the
simulation to ensure proper neighbor chain construction.
.. note::
CNT ends are treated differently by all *mesocnt* styles. Atoms on
CNT ends need to be assigned different LAMMPS atom types than atoms
not on CNT ends.
Style *mesocnt* requires tabulated data provided in a single ASCII
text file, as well as a list of integers corresponding to all LAMMPS
atom types representing CNT ends:
* filename
* :math:`N` CNT end atom types
For example, if your LAMMPS simulation of (10, 10) nanotubes has 4
atom types where atom types 1 and 3 are assigned to 'inner' nodes and
atom types 2 and 4 are assigned to CNT end nodes, the pair_coeff
command would be:
.. code-block:: LAMMPS
pair_coeff * * C_10_10.mesocnt 2 4
Likewise, style *mesocnt/viscous* also requires the same information
as style *mesocnt*, with the addition of 3 parameters for the viscous
friction forces as listed above:
* filename
* :math:`F^{\text{max}}`
* :math:`k`
* :math:`v_0`
* :math:`N` CNT end atom types
Using the same example system as with style *mesocnt* with the
addition of friction, the pair_coeff command is:
.. code-block:: LAMMPS
pair_coeff * * C_10_10.mesocnt 0.03 20.0 0.20 2 4
Potential files for CNTs can be readily generated using the freely
available code provided on
@ -71,45 +156,51 @@ available code provided on
https://github.com/phankl/cntpot
Using the same approach, it should also be possible to
generate potential files for other 1D systems such as
boron nitride nanotubes.
Using the same approach, it should also be possible to generate
potential files for other 1D systems mentioned above.
.. note::
Because of their size, *mesocnt* style potential files
are not bundled with LAMMPS. When compiling LAMMPS from
source code, the file ``C_10_10.mesocnt`` should be downloaded
transparently from `https://download.lammps.org/potentials/C_10_10.mesocnt <https://download.lammps.org/potentials/C_10_10.mesocnt>`_
This file has as number of data points per table 1001.
This is sufficient for NVT simulations. For proper energy
conservation, we recommend using a potential file where
the resolution for Phi is at least 2001 data points.
Because of their size, *mesocnt* style potential files are not
bundled with LAMMPS. When compiling LAMMPS from source code, the
file ``C_10_10.mesocnt`` should be downloaded separately from
`https://download.lammps.org/potentials/C_10_10.mesocnt
<https://download.lammps.org/potentials/C_10_10.mesocnt>`_
.. note::
The first line of the potential file provides a time stamp and
general information. The second line lists four integers giving the
number of data points provided in the subsequent four data
tables. The third line lists four floating point numbers: the CNT
radius R, the LJ parameter sigma and two numerical parameters
delta1 and delta2. These four parameters are given in
Angstroms. This is followed by four data tables each separated by a
single empty line. The first two tables have two columns and list
the parameters uInfParallel and Gamma respectively. The last two
tables have three columns giving data on a quadratic array and list
the parameters Phi and uSemiParallel respectively. uInfParallel
and uSemiParallel are given in eV/Angstrom, Phi is given in eV and
Gamma is unitless.
The *mesocnt* style requires CNTs to be represented
as a chain of atoms connected by bonds. Atoms need
to be numbered consecutively within one chain.
Atoms belonging to different CNTs need to be assigned
different molecule IDs.
If a simulation produces many warnings about segment-chain
interactions falling outside the interpolation range, we recommend
generating a potential file with lower values of delta1 and delta2.
----------
Mixing, shift, table, tail correction, restart, rRESPA info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
This pair style does not support mixing.
These pair styles does not support mixing.
This pair style does not support the :doc:`pair_modify <pair_modify>`
shift, table, and tail options.
These pair styles does not support the :doc:`pair_modify
<pair_modify>` shift, table, and tail options.
The *mesocnt* pair style do not write their information to :doc:`binary restart files <restart>`,
since it is stored in tabulated potential files.
Thus, you need to re-specify the pair_style and pair_coeff commands in
an input script that reads a restart file.
These pair styles do not write their information to :doc:`binary
restart files <restart>`, since it is stored in tabulated potential
files. Thus, you need to re-specify the pair_style and pair_coeff
commands in an input script that reads a restart file.
This pair style can only be used via the *pair* keyword of the
These pair styles can only be used via the *pair* keyword of the
:doc:`run_style respa <run_style>` command. They do not support the
*inner*, *middle*, *outer* keywords.
@ -118,12 +209,21 @@ This pair style can only be used via the *pair* keyword of the
Restrictions
""""""""""""
This style is part of the MESONT package. It is only
enabled if LAMMPS was built with that package. See the :doc:`Build package <Build_package>` page for more info.
These styles are part of the MESONT package. They are only enabled if
LAMMPS was built with that package. See the :doc:`Build package
<Build_package>` page for more info.
This pair potential requires the :doc:`newton <newton>` setting to be
These pair styles require the :doc:`newton <newton>` setting to be
"on" for pair interactions.
These pair styles require all 3 :doc:`special_bonds lj
<special_bonds>` settings to be non-zero for proper neighbor list
construction.
Pair style *mesocnt/viscous* requires you to use the :doc:`comm_modify
vel yes <comm_modify>` command so that velocities are stored by ghost
atoms.
Related commands
""""""""""""""""
@ -132,7 +232,7 @@ Related commands
Default
"""""""
none
mode = chain, neigh_mode = id
----------

3
doc/src/pair_style.rst
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@ -278,7 +278,8 @@ accelerated styles exist.
* :doc:`meam <pair_meam>` - modified embedded atom method (MEAM) in C
* :doc:`meam/spline <pair_meam_spline>` - splined version of MEAM
* :doc:`meam/sw/spline <pair_meam_sw_spline>` - splined version of MEAM with a Stillinger-Weber term
* :doc:`mesocnt <pair_mesocnt>` - mesoscale model for (carbon) nanotubes
* :doc:`mesocnt <pair_mesocnt>` - mesoscopic vdW potential for (carbon) nanotubes
* :doc:`mesocnt/viscous <pair_mesocnt>` - mesoscopic vdW potential for (carbon) nanotubes with friction
* :doc:`mgpt <pair_mgpt>` - simplified model generalized pseudopotential theory (MGPT) potential
* :doc:`mesont/tpm <pair_mesont_tpm>` - nanotubes mesoscopic force field
* :doc:`mie/cut <pair_mie>` - Mie potential