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doc/Section_commands.html
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@ -362,9 +362,9 @@ full description:
<TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/opt</A></TD><TD ><A HREF = "pair_class2.html">lj/class2</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/coul/long</A></TD><TD ><A HREF = "pair_lj.html">lj/cut</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/opt</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/tip4p</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj_smooth.html">lj/smooth</A></TD><TD ><A HREF = "pair_meam.html">meam</A></TD><TD ><A HREF = "pair_morse.html">morse</A></TD><TD ><A HREF = "pair_morse.html">morse/opt</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_soft.html">soft</A></TD><TD ><A HREF = "pair_sw.html">sw</A></TD><TD ><A HREF = "pair_table.html">table</A></TD><TD ><A HREF = "pair_tersoff.html">tersoff</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_yukawa.html">yukawa</A>
<TR ALIGN="center"><TD ><A HREF = "pair_lj_smooth.html">lj/smooth</A></TD><TD ><A HREF = "pair_lubricate.html">lubricate</A></TD><TD ><A HREF = "pair_meam.html">meam</A></TD><TD ><A HREF = "pair_morse.html">morse</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_morse.html">morse/opt</A></TD><TD ><A HREF = "pair_soft.html">soft</A></TD><TD ><A HREF = "pair_sw.html">sw</A></TD><TD ><A HREF = "pair_table.html">table</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_tersoff.html">tersoff</A></TD><TD ><A HREF = "pair_yukawa.html">yukawa</A>
</TD></TR></TABLE></DIV>
<P>These are pair styles contributed by users, which can be used if

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doc/Section_commands.txt
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"lj/cut/coul/long/tip4p"_pair_lj.html,
"lj/expand"_pair_lj_expand.html,
"lj/smooth"_pair_lj_smooth.html,
"lubricate"_pair_lubricate.html,
"meam"_pair_meam.html,
"morse"_pair_morse.html,
"morse/opt"_pair_morse.html,

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doc/pair_coeff.html
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@ -122,6 +122,7 @@ the pair_style command, and coefficients specified by the associated
<LI><A HREF = "pair_lj.html">pair_style lj/cut/coul/long/tip4p</A> - LJ with long-range Coulomb for TIP4P water
<LI><A HREF = "pair_lj_expand.html">pair_style lj/expand</A> - Lennard-Jones for variable size particles
<LI><A HREF = "pair_lj_smooth.html">pair_style lj/smooth</A> - smoothed Lennard-Jones potential
<LI><A HREF = "pair_lubricate.html">pair_style lubricate</A> - hydrodynamic lubrication forces
<LI><A HREF = "pair_meam.html">pair_style meam</A> - modified embedded atom method (MEAM)
<LI><A HREF = "pair_morse.html">pair_style morse</A> - Morse potential
<LI><A HREF = "pair_morse.html">pair_style morse</A> - optimized version of Morse potential

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doc/pair_coeff.txt
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@ -118,6 +118,7 @@ the pair_style command, and coefficients specified by the associated
"pair_style lj/cut/coul/long/tip4p"_pair_lj.html - LJ with long-range Coulomb for TIP4P water
"pair_style lj/expand"_pair_lj_expand.html - Lennard-Jones for variable size particles
"pair_style lj/smooth"_pair_lj_smooth.html - smoothed Lennard-Jones potential
"pair_style lubricate"_pair_lubricate.html - hydrodynamic lubrication forces
"pair_style meam"_pair_meam.html - modified embedded atom method (MEAM)
"pair_style morse"_pair_morse.html - Morse potential
"pair_style morse"_pair_morse.html - optimized version of Morse potential

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doc/pair_lubricate.html Normal file
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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 lubricate command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>pair_style lubricate mu squeeze shear pump twist cutinner cutoff
</PRE>
<UL><LI>mu = viscosity (mass/length/time units)
<LI>squeeze = 0/1 for squeeze force off/on
<LI>shear = 0/1 for shear force off/on
<LI>pump = 0/1 for pump force off/on
<LI>twist = 0/1 for twist force off/on
<LI>cutinner = (distance units)
<LI>cutoff = outer cutoff for interactions (distance units)
</UL>
<P><B>Examples:</B>
</P>
<PRE>pair_style lubricate 1.5 1 1 1 0 2.3 2.4
pair_coeff 1 1 1.8 2.0
pair_coeff * *
</PRE>
<P><B>Description:</B>
</P>
<P>Style <I>lubricate</I> computes pairwise interactions between mono-disperse
spherical particles with the formula in Appendix A of <A HREF = "#Ball">(Ball and
Melrose)</A> which has 4 terms describing different types of
lubrication forces between pairs of particles in a background implicit
solvent, each of which is proportional in strength to the viscosity of
the solvent <I>mu</I>.
</P>
<P>These pair-wise forces and torques are a combination of four modes of
pair-wise interaction: squeezing, shearing, pumping, and twisting.
Each of these modes can be turned on or off with flags in the
pair_style command.
</P>
<P>Unlike most pair potentials, the two specified cutoffs (cutinner and
cutoff) refer to the surface-to-surface separation between two
particles, not center-to-center distance. Currently, this pair style
can only be used for mono-disperse spheres (same radii), so that
separation is r_ij - 2*radius, where r_ij is the center-to-center
distance between the particles. Within the inner cutoff <I>cutinner</I>,
the forces and torques are evaluated at a separation of cutinner. The
outer <I>cutoff</I> is the separation distance beyond which the pair-wise
forces are zero.
</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>cutinner (distance units)
<LI>cutoff (distance units)
</UL>
<P>The two coefficients are optional. If neither is specified, the two
cutoffs specified in the pair_style command are used. Otherwise both
must be specified.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info</B>:
</P>
<P>For atom type pairs I,J and I != J, the two cutoff distances for this
pair style can be mixed. The default mix value is <I>geometric</I>. See
the "pair_modify" command for details.
</P>
<P>This pair style does not support the <A HREF = "pair_modify.html">pair_modify</A>
shift option for the energy 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 does not calculate per-atom energy and stress, as used
by the <A HREF = "compute_epair_atom.html">compute epair/atom</A>, <A HREF = "compute_stress_atom.html">compute
stress/atom</A>, and <A HREF = "dump.html">dump custom</A>
commands.
</P>
<P>This pair style writes its 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>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>
<HR>
<P><B>Restrictions:</B>
</P>
<P>Because this poential computes forces and torques on particles, the
atom style must support particles whose size is set via the
<A HREF = "shape.html">shape</A> command. This is <A HREF = "atom_style.html">atom_style</A>
ellipsoid and dipole. Since only spherical mono-disperse particles
are currently allowed for pair_style lubricate, this means the 3 shape
radii for all particle types must be the same.
</P>
<P><B>Related commands:</B>
</P>
<P><A HREF = "pair_coeff.html">pair_coeff</A>
</P>
<P><B>Default:</B> none
</P>
<HR>
<A NAME = "Ball"></A>
<P><B>(Ball)</B> Ball and Melrose, Physica A, 247, 444-472 (1997).
</P>
</HTML>

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doc/pair_lubricate.txt Normal file
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@ -0,0 +1,118 @@
"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 lubricate command :h3
[Syntax:]
pair_style lubricate mu squeeze shear pump twist cutinner cutoff :pre
mu = viscosity (mass/length/time units)
squeeze = 0/1 for squeeze force off/on
shear = 0/1 for shear force off/on
pump = 0/1 for pump force off/on
twist = 0/1 for twist force off/on
cutinner = (distance units)
cutoff = outer cutoff for interactions (distance units) :ul
[Examples:]
pair_style lubricate 1.5 1 1 1 0 2.3 2.4
pair_coeff 1 1 1.8 2.0
pair_coeff * * :pre
[Description:]
Style {lubricate} computes pairwise interactions between mono-disperse
spherical particles with the formula in Appendix A of "(Ball and
Melrose)"_#Ball which has 4 terms describing different types of
lubrication forces between pairs of particles in a background implicit
solvent, each of which is proportional in strength to the viscosity of
the solvent {mu}.
These pair-wise forces and torques are a combination of four modes of
pair-wise interaction: squeezing, shearing, pumping, and twisting.
Each of these modes can be turned on or off with flags in the
pair_style command.
Unlike most pair potentials, the two specified cutoffs (cutinner and
cutoff) refer to the surface-to-surface separation between two
particles, not center-to-center distance. Currently, this pair style
can only be used for mono-disperse spheres (same radii), so that
separation is r_ij - 2*radius, where r_ij is the center-to-center
distance between the particles. Within the inner cutoff {cutinner},
the forces and torques are evaluated at a separation of cutinner. The
outer {cutoff} is the separation distance beyond which the pair-wise
forces are zero.
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:
cutinner (distance units)
cutoff (distance units) :ul
The two coefficients are optional. If neither is specified, the two
cutoffs specified in the pair_style command are used. Otherwise both
must be specified.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info]:
For atom type pairs I,J and I != J, the two cutoff distances for this
pair style can be mixed. The default mix value is {geometric}. 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.
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 does not calculate per-atom energy and stress, as used
by the "compute epair/atom"_compute_epair_atom.html, "compute
stress/atom"_compute_stress_atom.html, and "dump custom"_dump.html
commands.
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:]
Because this poential computes forces and torques on particles, the
atom style must support particles whose size is set via the
"shape"_shape.html command. This is "atom_style"_atom_style.html
ellipsoid and dipole. Since only spherical mono-disperse particles
are currently allowed for pair_style lubricate, this means the 3 shape
radii for all particle types must be the same.
[Related commands:]
"pair_coeff"_pair_coeff.html
[Default:] none
:line
:link(Ball)
[(Ball)] Ball and Melrose, Physica A, 247, 444-472 (1997).

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@ -127,6 +127,7 @@ the pair_style command, and coefficients specified by the associated
<LI><A HREF = "pair_lj.html">pair_style lj/cut/coul/long/tip4p</A> - LJ with long-range Coulomb for TIP4P water
<LI><A HREF = "pair_lj_expand.html">pair_style lj/expand</A> - Lennard-Jones for variable size particles
<LI><A HREF = "pair_lj_smooth.html">pair_style lj/smooth</A> - smoothed Lennard-Jones potential
<LI><A HREF = "pair_lubricate.html">pair_style lubricate</A> - hydrodynamic lubrication forces
<LI><A HREF = "pair_meam.html">pair_style meam</A> - modified embedded atom method (MEAM)
<LI><A HREF = "pair_morse.html">pair_style morse</A> - Morse potential
<LI><A HREF = "pair_morse.html">pair_style morse</A> - optimized version of Morse potential

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doc/pair_style.txt
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@ -123,6 +123,7 @@ the pair_style command, and coefficients specified by the associated
"pair_style lj/cut/coul/long/tip4p"_pair_lj.html - LJ with long-range Coulomb for TIP4P water
"pair_style lj/expand"_pair_lj_expand.html - Lennard-Jones for variable size particles
"pair_style lj/smooth"_pair_lj_smooth.html - smoothed Lennard-Jones potential
"pair_style lubricate"_pair_lubricate.html - hydrodynamic lubrication forces
"pair_style meam"_pair_meam.html - modified embedded atom method (MEAM)
"pair_style morse"_pair_morse.html - Morse potential
"pair_style morse"_pair_morse.html - optimized version of Morse potential