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<HTML>
<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A>
</CENTER>
<HR>
<H3>angle_style sdk command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>angle_style sdk
</PRE>
<PRE>angle_style sdk/omp
</PRE>
<P><B>Examples:</B>
</P>
<PRE>angle_style sdk
angle_coeff 1 300.0 107.0
</PRE>
<P><B>Description:</B>
</P>
<P>The <I>sdk</I> angle style is a combination of the harmonic angle potential,
</P>
<CENTER><IMG SRC = "Eqs/angle_harmonic.jpg">
</CENTER>
<P>where theta0 is the equilibrium value of the angle and K a prefactor,
with the <I>repulsive</I> part of the non-bonded <I>lj/sdk</I> pair style
between the atoms 1 and 3. This angle potential is intended for
coarse grained MD simulations with the CMM parametrization using the
<A HREF = "pair_sdk.html">pair_style lj/sdk</A>. Relative to the pair_style
<I>lj/sdk</I>, however, the energy is shifted by <I>epsilon</I>, to avoid sudden
jumps. Note that the usual 1/2 factor is included in K.
</P>
<P>The following coefficients must be defined for each angle type via the
<A HREF = "angle_coeff.html">angle_coeff</A> command as in the example above:
</P>
<UL><LI>K (energy/radian^2)
<LI>theta0 (degrees)
</UL>
<P>Theta0 is specified in degrees, but LAMMPS converts it to radians
internally; hence the units of K are in energy/radian^2.
The also required <I>lj/sdk</I> parameters will be extracted automatically
from the pair_style.
</P>
<P><B>Restrictions:</B>
</P>
<P>This angle style can only be used if LAMMPS was built with the
USER-CG-CMM package. See the <A HREF = "Section_start.html#start_3">Making
LAMMPS</A> section for more info on packages.
</P>
<P><B>Related commands:</B>
</P>
<P><A HREF = "angle_coeff.html">angle_coeff</A>, <A HREF = "angle_harmonic.html">angle_style
harmonic</A>, <A HREF = "pair_sdk.html">pair_style lj/sdk</A>,
<A HREF = "pair_sdk.html">pair_style lj/sdk/coul/long</A>
</P>
<P><B>Default:</B> none
</P>
</HTML>

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"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Section_commands.html#comm)
:line
angle_style sdk command :h3
[Syntax:]
angle_style sdk :pre
angle_style sdk/omp :pre
[Examples:]
angle_style sdk
angle_coeff 1 300.0 107.0 :pre
[Description:]
The {sdk} angle style is a combination of the harmonic angle potential,
:c,image(Eqs/angle_harmonic.jpg)
where theta0 is the equilibrium value of the angle and K a prefactor,
with the {repulsive} part of the non-bonded {lj/sdk} pair style
between the atoms 1 and 3. This angle potential is intended for
coarse grained MD simulations with the CMM parametrization using the
"pair_style lj/sdk"_pair_sdk.html. Relative to the pair_style
{lj/sdk}, however, the energy is shifted by {epsilon}, to avoid sudden
jumps. Note that the usual 1/2 factor is included in K.
The following coefficients must be defined for each angle type via the
"angle_coeff"_angle_coeff.html command as in the example above:
K (energy/radian^2)
theta0 (degrees) :ul
Theta0 is specified in degrees, but LAMMPS converts it to radians
internally; hence the units of K are in energy/radian^2.
The also required {lj/sdk} parameters will be extracted automatically
from the pair_style.
[Restrictions:]
This angle style can only be used if LAMMPS was built with the
USER-CG-CMM package. See the "Making
LAMMPS"_Section_start.html#start_3 section for more info on packages.
[Related commands:]
"angle_coeff"_angle_coeff.html, "angle_style
harmonic"_angle_harmonic.html, "pair_style lj/sdk"_pair_sdk.html,
"pair_style lj/sdk/coul/long"_pair_sdk.html
[Default:] none

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<HTML>
<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A>
</CENTER>
<HR>
<H3>pair_style coul/diel command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>pair_style coul/diel cutoff
</PRE>
<P>cutoff = global cutoff (distance units)
</P>
<P><B>Examples:</B>
</P>
<PRE>pair_style coul/diel 3.5
pair_coeff 1 4 78. 1.375 0.112
</PRE>
<P><B>Description:</B>
</P>
<P>Style <I>coul/diel</I> computes a Coulomb correction for implict solvent
ion interactions in which the dielectric perimittivity is distance dependent.
The dielectric permittivity epsilon_D(r) connects to limiting regimes:
One limit is defined by a small dielectric permittivity (close to vacuum)
at or close to contact seperation between the ions. At larger separations
the dielectric permittivity reaches a bulk value used in the regular Coulomb
interaction coul/long or coul/cut.
The transition is modeled by a hyperbolic function which is incorporated
in the Coulomb correction term for small ion separations as follows
</P>
<CENTER><IMG SRC = "Eqs/pair_coul_diel.jpg">
</CENTER>
<P>where r_me is the inflection point of epsilon_D(r) and sigma_e is a slope
defining length scale. C is the same Coulomb conversion factor as in the
pair_styles coul/cut, coul/long, and coul/debye. In this way the Coulomb
interaction between ions is corrected at small distances r. The lower
limit of epsilon_D(r->0)=5.2 due to dielectric saturation <A HREF = "#Stiles">(Stiles)</A>
while the Coulomb interaction reaches its bulk limit by setting
epsilon_D(r->\infty)=epsilon, the bulk value of the solvent which is 78
for water at 298K.
</P>
<P>Examples of the use of this type of Coulomb interaction include implicit
solvent simulations of salt ions
<A HREF = "#Lenart">(Lenart)</A> and of ionic surfactants <A HREF = "#Jusufi">(Jusufi)</A>.
Note that this potential is only reasonable for implicit solvent simulations
and in combiantion with coul/cut or coul/long. It is also usually combined
with gauss/cut, see <A HREF = "#Lenart">(Lenart)</A> or <A HREF = "#Jusufi">(Jusufi)</A>.
</P>
<P>The following coefficients must be defined for each pair of atom
types via the <A HREF = "pair_coeff.html">pair_coeff</A> command as in the example
above, or in the data file or restart files read by the
<A HREF = "read_data.html">read_data</A> or <A HREF = "read_restart.html">read_restart</A>
commands:
</P>
<UL><LI>epsilon (no units)
<LI>r_me (distance units)
<LI>sigma_e (distance units)
</UL>
<P>The global cutoff (r_c) specified in the pair_style command is used.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>This pair style does not support parameter mixing. Coefficients must be given explicitly for each type of particle pairs.
</P>
<P>This pair style supports the <A HREF = "pair_modify.html">pair_modify</A> shift
option for the energy of the Gauss-potential portion of the pair
interaction.
</P>
<P>The <A HREF = "pair_modify.html">pair_modify</A> table option is not relevant
for this pair style.
</P>
<P>This pair style does not support the <A HREF = "pair_modify.html">pair_modify</A>
tail option for adding long-range tail corrections to energy and
pressure.
</P>
<P>This pair style can only be used via the <I>pair</I> keyword of the
<A HREF = "run_style.html">run_style respa</A> command. It does not support the
<I>inner</I>, <I>middle</I>, <I>outer</I> keywords.
</P>
<P><B>Restrictions:</B>
</P>
<P>This style is part of the "user-gauss" package. It is only enabled
if LAMMPS was built with that package. See the <A HREF = "Section_start.html#2_3">Making
LAMMPS</A> section for more info.
</P>
<P><B>Related commands:</B>
</P>
<P><A HREF = "pair_coeff.html">pair_coeff</A>
<A HREF = "pair_gauss.html">pair_style gauss/cut</A>
</P>
<P><B>Default:</B> none
</P>
<HR>
<A NAME = "Stiles"></A>
<P><B>(Stiles)</B> Stiles , Hubbard, and Kayser, J Chem Phys, 77,
6189 (1982).
</P>
<A NAME = "Lenart"></A>
<P><B>(Lenart)</B> Lenart , Jusufi, and Panagiotopoulos, J Chem Phys, 126,
044509 (2007).
</P>
<A NAME = "Jusufi"></A>
<P><B>(Jusufi)</B> Jusufi, Hynninen, and Panagiotopoulos, J Phys Chem B, 112,
13783 (2008).
</P>
</HTML>

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"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Section_commands.html#comm)
:line
pair_style coul/diel command :h3
[Syntax:]
pair_style coul/diel cutoff :pre
cutoff = global cutoff (distance units)
[Examples:]
pair_style coul/diel 3.5
pair_coeff 1 4 78. 1.375 0.112 :pre
[Description:]
Style {coul/diel} computes a Coulomb correction for implict solvent
ion interactions in which the dielectric perimittivity is distance dependent.
The dielectric permittivity epsilon_D(r) connects to limiting regimes:
One limit is defined by a small dielectric permittivity (close to vacuum)
at or close to contact seperation between the ions. At larger separations
the dielectric permittivity reaches a bulk value used in the regular Coulomb
interaction coul/long or coul/cut.
The transition is modeled by a hyperbolic function which is incorporated
in the Coulomb correction term for small ion separations as follows
:c,image(Eqs/pair_coul_diel.jpg)
where r_me is the inflection point of epsilon_D(r) and sigma_e is a slope
defining length scale. C is the same Coulomb conversion factor as in the
pair_styles coul/cut, coul/long, and coul/debye. In this way the Coulomb
interaction between ions is corrected at small distances r. The lower
limit of epsilon_D(r->0)=5.2 due to dielectric saturation "(Stiles)"_#Stiles
while the Coulomb interaction reaches its bulk limit by setting
epsilon_D(r->\infty)=epsilon, the bulk value of the solvent which is 78
for water at 298K.
Examples of the use of this type of Coulomb interaction include implicit
solvent simulations of salt ions
"(Lenart)"_#Lenart and of ionic surfactants "(Jusufi)"_#Jusufi.
Note that this potential is only reasonable for implicit solvent simulations
and in combiantion with coul/cut or coul/long. It is also usually combined
with gauss/cut, see "(Lenart)"_#Lenart or "(Jusufi)"_#Jusufi.
The following coefficients must be defined for each pair of atom
types via the "pair_coeff"_pair_coeff.html command as in the example
above, or in the data file or restart files read by the
"read_data"_read_data.html or "read_restart"_read_restart.html
commands:
epsilon (no units)
r_me (distance units)
sigma_e (distance units) :ul
The global cutoff (r_c) specified in the pair_style command is used.
:line
[Mixing, shift, table, tail correction, restart, rRESPA info]:
This pair style does not support parameter mixing. Coefficients must be given explicitly for each type of particle pairs.
This pair style supports the "pair_modify"_pair_modify.html shift
option for the energy of the Gauss-potential portion of the pair
interaction.
The "pair_modify"_pair_modify.html table option is not relevant
for this pair style.
This pair style does not support the "pair_modify"_pair_modify.html
tail option for adding long-range tail corrections to energy and
pressure.
This pair style can only be used via the {pair} keyword of the
"run_style respa"_run_style.html command. It does not support the
{inner}, {middle}, {outer} keywords.
[Restrictions:]
This style is part of the "user-gauss" package. It is only enabled
if LAMMPS was built with that package. See the "Making
LAMMPS"_Section_start.html#2_3 section for more info.
[Related commands:]
"pair_coeff"_pair_coeff.html
"pair_style gauss/cut"_pair_gauss.html
[Default:] none
:line
:link(Stiles)
[(Stiles)] Stiles , Hubbard, and Kayser, J Chem Phys, 77,
6189 (1982).
:link(Lenart)
[(Lenart)] Lenart , Jusufi, and Panagiotopoulos, J Chem Phys, 126,
044509 (2007).
:link(Jusufi)
[(Jusufi)] Jusufi, Hynninen, and Panagiotopoulos, J Phys Chem B, 112,
13783 (2008).

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<HTML>
<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A>
</CENTER>
<HR>
<H3>pair_style lj/sdk command
</H3>
<H3>pair_style lj/sdk/gpu command
</H3>
<H3>pair_style lj/sdk/omp command
</H3>
<H3>pair_style lj/sdk/coul/long command
</H3>
<H3>pair_style lj/sdk/coul/long/gpu command
</H3>
<H3>pair_style lj/sdk/coul/long/omp command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>pair_style style args
</PRE>
<UL><LI>style = <I>lj/sdk</I> or <I>lj/sdk/coul/long</I>
<LI>args = list of arguments for a particular style
</UL>
<PRE> <I>lj/sdk</I> args = cutoff
cutoff = global cutoff for Lennard Jones interactions (distance units)
<I>lj/sdk/coul/long</I> args = cutoff (cutoff2)
cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
cutoff2 = global cutoff for Coulombic (optional) (distance units)
</PRE>
<P><B>Examples:</B>
</P>
<PRE>pair_style lj/sdk 2.5
pair_coeff 1 1 lj12_6 1 1.1 2.8
</PRE>
<PRE>pair_style lj/sdk/coul/long 10.0
pair_style lj/sdk/coul/long 10.0 12.0
pair_coeff 1 1 lj9_6 100.0 3.5 12.0
</PRE>
<P><B>Description:</B>
</P>
<P>The <I>lj/sdk</I> styles compute a 9/6, 12/4, or 12/6 Lennard-Jones potential,
given by
</P>
<CENTER><IMG SRC = "Eqs/pair_cmm.jpg">
</CENTER>
<P>as required for the SDK Coarse-grained MD parametrization discussed in
<A HREF = "#Shinoda">(Shinoda)</A> and <A HREF = "#DeVane">(DeVane)</A>. Rc is the cutoff.
</P>
<P>Style <I>lj/sdk/coul/long</I> computes the adds Coulombic interactions
with an additional damping factor applied so it can be used in
conjunction with the <A HREF = "kspace_style.html">kspace_style</A> command and
its <I>ewald</I> or <I>pppm</I> or <I>pppm/cg</I> option. The Coulombic cutoff
specified for this style means that pairwise interactions within
this distance are computed directly; interactions outside that
distance are computed in reciprocal space.
</P>
<P>The following coefficients must be defined for each pair of atoms
types via the <A HREF = "pair_coeff.html">pair_coeff</A> command as in the examples
above, or in the data file or restart files read by the
<A HREF = "read_data.html">read_data</A> or <A HREF = "read_restart.html">read_restart</A>
commands, or by mixing as described below:
</P>
<UL><LI>cg_type (lj9_6, lj12_4, or lj12_6)
<LI>epsilon (energy units)
<LI>sigma (distance units)
<LI>cutoff1 (distance units)
</UL>
<P>Note that sigma is defined in the LJ formula as the zero-crossing
distance for the potential, not as the energy minimum. The prefactors
are chosen so that the potential minimum is at -epsilon.
</P>
<P>The latter 2 coefficients are optional. If not specified, the global
LJ and Coulombic cutoffs specified in the pair_style command are used.
If only one cutoff is specified, it is used as the cutoff for both LJ
and Coulombic interactions for this type pair. If both coefficients
are specified, they are used as the LJ and Coulombic cutoffs for this
type pair.
</P>
<P>For <I>lj/sdk/coul/long</I> only the LJ cutoff can be specified since a
Coulombic cutoff cannot be specified for an individual I,J type pair.
All type pairs use the same global Coulombic cutoff specified in the
pair_style command.
</P>
<HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I> or <I>opt</I> suffix are functionally
the same as the corresponding style without the suffix. They have been
optimized to run faster, depending on your available hardware, as
discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
The accelerated styles take the same arguments and should produce the
same results, except for round-off and precision issues.
</P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP, and
OPT packages respectively. They are only enabled if LAMMPS was built with
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
instructions on how to use the accelerated styles effectively.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, restart, and rRESPA info</B>:
</P>
<P>For atom type pairs I,J and I != J, the epsilon and sigma coefficients
and cutoff distance for all of the lj/sdk pair styles <I>cannot</I> be mixed,
since different pairs may have different exponents. So all parameters
for all pairs have to be specified explicitly through the "pair_coeff"
command. Defining then in a data file is also not supported, due to
limitations of that file format.
</P>
<P>All of the lj/sdk pair styles support the
<A HREF = "pair_modify.html">pair_modify</A> shift option for the energy of the
Lennard-Jones portion of the pair interaction.
</P>
<P>The <I>lj/sdk/coul/long</I> pair styles support the
<A HREF = "pair_modify.html">pair_modify</A> table option since they can tabulate
the short-range portion of the long-range Coulombic interaction.
</P>
<P>All of the lj/sdk pair styles write their information to <A HREF = "restart.html">binary
restart files</A>, so pair_style and pair_coeff commands do
not need to be specified in an input script that reads a restart file.
</P>
<P>The lj/sdk and lj/cut/coul/long pair styles do not support
the use of the <I>inner</I>, <I>middle</I>, and <I>outer</I> keywords of the <A HREF = "run_style.html">run_style
respa</A> command.
</P>
<HR>
<P><B>Restrictions:</B>
</P>
<P>All of the lj/sdk pair styles are part of the USER-CG-CMM package.
The <I>lj/sdk/coul/long</I> style also requires the KSPACE package to be
built (which is enabled by default). They are only enabled if LAMMPS
was built with that package. See the <A HREF = "Section_start.html#start_3">Making
LAMMPS</A> section for more info.
</P>
<P><B>Related commands:</B>
</P>
<P><A HREF = "pair_coeff.html">pair_coeff</A>, <A HREF = "angle_sdk.html">angle_style sdk</A>
</P>
<P><B>Default:</B> none
</P>
<HR>
<A NAME = "Shinoda"></A>
<P><B>(Shinoda)</B> Shinoda, DeVane, Klein, Mol Sim, 33, 27 (2007).
</P>
<A NAME = "DeVane"></A>
<P><B>(DeVane)</B> Shinoda, DeVane, Klein, Soft Matter, 4, 2453-2462 (2008).
</P>
</HTML>

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"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Section_commands.html#comm)
:line
pair_style lj/sdk command :h3
pair_style lj/sdk/gpu command :h3
pair_style lj/sdk/omp command :h3
pair_style lj/sdk/coul/long command :h3
pair_style lj/sdk/coul/long/gpu command :h3
pair_style lj/sdk/coul/long/omp command :h3
[Syntax:]
pair_style style args :pre
style = {lj/sdk} or {lj/sdk/coul/long}
args = list of arguments for a particular style :ul
{lj/sdk} args = cutoff
cutoff = global cutoff for Lennard Jones interactions (distance units)
{lj/sdk/coul/long} args = cutoff (cutoff2)
cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
cutoff2 = global cutoff for Coulombic (optional) (distance units) :pre
[Examples:]
pair_style lj/sdk 2.5
pair_coeff 1 1 lj12_6 1 1.1 2.8 :pre
pair_style lj/sdk/coul/long 10.0
pair_style lj/sdk/coul/long 10.0 12.0
pair_coeff 1 1 lj9_6 100.0 3.5 12.0 :pre
[Description:]
The {lj/sdk} styles compute a 9/6, 12/4, or 12/6 Lennard-Jones potential,
given by
:c,image(Eqs/pair_cmm.jpg)
as required for the SDK Coarse-grained MD parametrization discussed in
"(Shinoda)"_#Shinoda and "(DeVane)"_#DeVane. Rc is the cutoff.
Style {lj/sdk/coul/long} computes the adds Coulombic interactions
with an additional damping factor applied so it can be used in
conjunction with the "kspace_style"_kspace_style.html command and
its {ewald} or {pppm} or {pppm/cg} option. The Coulombic cutoff
specified for this style means that pairwise interactions within
this distance are computed directly; interactions outside that
distance are computed in reciprocal space.
The following coefficients must be defined for each 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
"read_data"_read_data.html or "read_restart"_read_restart.html
commands, or by mixing as described below:
cg_type (lj9_6, lj12_4, or lj12_6)
epsilon (energy units)
sigma (distance units)
cutoff1 (distance units) :ul
Note that sigma is defined in the LJ formula as the zero-crossing
distance for the potential, not as the energy minimum. The prefactors
are chosen so that the potential minimum is at -epsilon.
The latter 2 coefficients are optional. If not specified, the global
LJ and Coulombic cutoffs specified in the pair_style command are used.
If only one cutoff is specified, it is used as the cutoff for both LJ
and Coulombic interactions for this type pair. If both coefficients
are specified, they are used as the LJ and Coulombic cutoffs for this
type pair.
For {lj/sdk/coul/long} only the LJ cutoff can be specified since a
Coulombic cutoff cannot be specified for an individual I,J type pair.
All type pairs use the same global Coulombic cutoff specified in the
pair_style command.
:line
Styles with a {cuda}, {gpu}, {omp} or {opt} suffix are functionally
the same as the corresponding style without the suffix. They have been
optimized to run faster, depending on your available hardware, as
discussed in "this section"_Section_accelerate.html of the manual.
The accelerated styles take the same arguments and should produce the
same results, except for round-off and precision issues.
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP, and
OPT packages respectively. They are only enabled if LAMMPS was built with
those packages. See the "Making LAMMPS"_Section_start.html#start_3
section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
use the "suffix"_suffix.html command in your input script.
See "this section"_Section_accelerate.html of the manual for more
instructions on how to use the accelerated styles effectively.
:line
[Mixing, shift, table, tail correction, restart, and rRESPA info]:
For atom type pairs I,J and I != J, the epsilon and sigma coefficients
and cutoff distance for all of the lj/sdk pair styles {cannot} be mixed,
since different pairs may have different exponents. So all parameters
for all pairs have to be specified explicitly through the "pair_coeff"
command. Defining then in a data file is also not supported, due to
limitations of that file format.
All of the lj/sdk pair styles support the
"pair_modify"_pair_modify.html shift option for the energy of the
Lennard-Jones portion of the pair interaction.
The {lj/sdk/coul/long} pair styles support the
"pair_modify"_pair_modify.html table option since they can tabulate
the short-range portion of the long-range Coulombic interaction.
All of the lj/sdk pair styles write their information to "binary
restart files"_restart.html, so pair_style and pair_coeff commands do
not need to be specified in an input script that reads a restart file.
The lj/sdk and lj/cut/coul/long pair styles do not support
the use of the {inner}, {middle}, and {outer} keywords of the "run_style
respa"_run_style.html command.
:line
[Restrictions:]
All of the lj/sdk pair styles are part of the USER-CG-CMM package.
The {lj/sdk/coul/long} style also requires the KSPACE package to be
built (which is enabled by default). They are only enabled if LAMMPS
was built with that package. See the "Making
LAMMPS"_Section_start.html#start_3 section for more info.
[Related commands:]
"pair_coeff"_pair_coeff.html, "angle_style sdk"_angle_sdk.html
[Default:] none
:line
:link(Shinoda)
[(Shinoda)] Shinoda, DeVane, Klein, Mol Sim, 33, 27 (2007).
:link(DeVane)
[(DeVane)] Shinoda, DeVane, Klein, Soft Matter, 4, 2453-2462 (2008).