alias pair style lj/sf to lj/smooth/linear and remove/update related files

\documentclass[12pt]{article}

\begin{document}

\begin{eqnarray*}

 F & = & F_{\mathrm{LJ}}(r) - F_{\mathrm{LJ}}(r_{\mathrm{c}}) \qquad r < r_{\mathrm{c}} \\

 E & = & E_{\mathrm{LJ}}(r) - E_{\mathrm{LJ}}(r_{\mathrm{c}}) + (r - r_{\mathrm{c}}) F_{\mathrm{LJ}}(r_{\mathrm{c}}) \qquad r < r_{\mathrm{c}} \\

 \mathrm{with} \qquad E_{\mathrm{LJ}}(r) & = & 4 \epsilon \left[ \left(\frac{\sigma}{r}\right)^{12} - \left(\frac{\sigma}{r}\right)^6 \right] \qquad \mathrm{and} \qquad F_{\mathrm{LJ}}(r) = - E^\prime_{\mathrm{LJ}}(r)

\end{eqnarray*}                           

\end{document}

"lj/sdk (gko)"_pair_sdk.html,

"lj/sdk/coul/long (go)"_pair_sdk.html,

"lj/sdk/coul/msm (o)"_pair_sdk.html,

"lj/sf (o)"_pair_lj_sf.html,

"meam/spline (o)"_pair_meam_spline.html,

"meam/sw/spline"_pair_meam_sw_spline.html,

"mgpt"_pair_mgpt.html,

"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/sf command :h3

pair_style lj/sf/omp command :h3

[Syntax:]

pair_style lj/sf cutoff :pre

cutoff = global cutoff for Lennard-Jones interactions (distance units) :ul

[Examples:]

pair_style lj/sf 2.5

pair_coeff * * 1.0 1.0

pair_coeff 1 1 1.0 1.0 3.0 :pre

[Description:]

Style {lj/sf} computes a truncated and force-shifted LJ interaction

(Shifted Force Lennard-Jones), so that both the potential and the

force go continuously to zero at the cutoff "(Toxvaerd)"_#Toxvaerd:

:c,image(Eqs/pair_lj_sf.jpg)

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:

epsilon (energy units)

sigma (distance units)

cutoff (distance units) :ul

The last coefficient is optional. If not specified, the global

LJ cutoff specified in the pair_style command is used.

:line

Styles with a {gpu}, {intel}, {kk}, {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 "Section 5"_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 GPU, USER-INTEL, KOKKOS,

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_7 when you invoke LAMMPS, or you can

use the "suffix"_suffix.html command in your input script.

See "Section 5"_Section_accelerate.html of the manual for

more instructions on how to use the accelerated styles effectively.

:line

[Mixing, shift, table, tail correction, restart, rRESPA info]:

For atom type pairs I,J and I != J, the epsilon and sigma

coefficients and cutoff distance for this pair style can be mixed.

Rin is a cutoff value and is mixed like the cutoff. The

default mix value is {geometric}.  See the "pair_modify" command for

details.

The "pair_modify"_pair_modify.html shift option is not relevant for

this pair style, since the pair interaction goes to 0.0 at the cutoff.

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, since the energy of the pair interaction is smoothed to 0.0

at the cutoff.

This pair style writes its 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.

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.

:line

[Restrictions:]

This pair style is part of the USER-MISC package.  It is 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

[Default:] none

:line

:link(Toxvaerd)

[(Toxvaerd)] Toxvaerd, Dyre, J Chem Phys, 134, 081102 (2011).

[Syntax:]

pair_style lj/smooth/linear Rc :pre

pair_style lj/smooth/linear cutoff :pre

Rc = cutoff for lj/smooth/linear interactions (distance units) :ul

cutoff = global cutoff for Lennard-Jones interactions (distance units) :ul

[Examples:]

pair_style lj/smooth/linear 5.456108274435118

pair_coeff * * 0.7242785984051078 2.598146797350056

pair_coeff 1 1 20.0 1.3 9.0 :pre

pair_style lj/smooth/linear 2.5

pair_coeff * * 1.0 1.0

pair_coeff 1 1 0.3 3.0 9.0 :pre

[Description:]

Style {lj/smooth/linear} computes a LJ interaction that combines the

standard 12/6 Lennard-Jones function and subtracts a linear term that

includes the cutoff distance Rc, as in this formula:

Style {lj/smooth/linear} computes a truncated and force-shifted LJ

interaction (aka Shifted Force Lennard-Jones) that combines the

standard 12/6 Lennard-Jones function and subtracts a linear term based

on the cutoff distance, so that both, the potential and the force, go

continuously to zero at the cutoff Rc "(Toxvaerd)"_#Toxvaerd:

:c,image(Eqs/pair_lj_smooth_linear.jpg)

At the cutoff Rc, the energy and force (its 1st derivative) will be 0.0.

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

sigma (distance units)

cutoff (distance units) :ul

The last coefficient is optional.  If not specified, the global value

for Rc is used.

The last coefficient is optional. If not specified, the global

LJ cutoff specified in the pair_style command is used.

:line

See the "pair_modify" command for details.

This pair style does not support the "pair_modify"_pair_modify.html

shift option for the energy of the pair interaction.

shift option for the energy of the pair interaction, since it goes

to 0.0 at the cutoff by construction.

The "pair_modify"_pair_modify.html table option is not relevant for

this pair style.

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