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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1406 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2008-01-21 18:12:34 +00:00
parent b53979e1ec
commit 58d4fd4479
54 changed files with 80 additions and 406 deletions
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8
doc/pair_airebo.html
View File

@ -106,17 +106,11 @@ off.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, and rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>This pair style does not support the <A HREF = "pair_modify.html">pair_modify</A>
mix, shift, table, and tail options.
</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 does not write its information to <A HREF = "restart.html">binary restart
files</A>, since it is stored in potential files. Thus, you
need to re-specify the pair_style and pair_coeff commands in an input

8
doc/pair_airebo.txt
View File

@ -103,17 +103,11 @@ off.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, and rRESPA info]:
[Mixing, shift, table, tail correction, restart, rRESPA info]:
This pair style does not support the "pair_modify"_pair_modify.html
mix, shift, table, and tail options.
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 does not write its information to "binary restart
files"_restart.html, since it is stored in potential files. Thus, you
need to re-specify the pair_style and pair_coeff commands in an input

8
doc/pair_buck.html
View File

@ -88,8 +88,7 @@ pair_style command.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress, and
restart info</B>:
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>None of the Buckingham pair styles support mixing. Thus, coefficients
for all I,J pairs must be specified explicitly.
@ -106,11 +105,6 @@ capability has not yet been added to this potential.
<A HREF = "pair_modify.html">pair_modify</A> tail option for adding long-range tail
corrections to energy and pressure.
</P>
<P>All of the Buckingham pair styles can 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>All of the Buckingham 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.

8
doc/pair_buck.txt
View File

@ -82,8 +82,7 @@ pair_style command.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress, and
restart info]:
[Mixing, shift, table, tail correction, restart, rRESPA info]:
None of the Buckingham pair styles support mixing. Thus, coefficients
for all I,J pairs must be specified explicitly.
@ -100,11 +99,6 @@ None of the Buckingham pair styles support the
"pair_modify"_pair_modify.html tail option for adding long-range tail
corrections to energy and pressure.
All of the Buckingham pair styles can 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.
All of the Buckingham 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.

8
doc/pair_buck_coul.html
View File

@ -103,8 +103,7 @@ global Coulombic cutoff is allowed.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, and rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>This pair styles does not support mixing. Thus, coefficients for all
I,J pairs must be specified explicitly.
@ -121,11 +120,6 @@ interaction.
table option since a tabulation capability has not yet been added to
this potential.
</P>
<P>This pair style can 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 write 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.

8
doc/pair_buck_coul.txt
View File

@ -95,8 +95,7 @@ global Coulombic cutoff is allowed.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, and rRESPA info]:
[Mixing, shift, table, tail correction, restart, rRESPA info]:
This pair styles does not support mixing. Thus, coefficients for all
I,J pairs must be specified explicitly.
@ -113,11 +112,6 @@ This pair style does not support the "pair_modify"_pair_modify.html
table option since a tabulation capability has not yet been added to
this potential.
This pair style can 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 write 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.

8
doc/pair_charmm.html
View File

@ -115,8 +115,7 @@ the pair_style command.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, and rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>For atom type pairs I,J and I != J, the epsilon, sigma, epsilon_14,
and sigma_14 coefficients for all of the lj/charmm pair styles can be
@ -137,11 +136,6 @@ interaction.
corrections to energy and pressure, since the Lennard-Jones portion of
the pair interaction is smoothed to 0.0 at the cutoff.
</P>
<P>All of the lj/charmm pair styles can 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>All of the lj/charmm 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.

8
doc/pair_charmm.txt
View File

@ -108,8 +108,7 @@ the pair_style command.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, and rRESPA info]:
[Mixing, shift, table, tail correction, restart, rRESPA info]:
For atom type pairs I,J and I != J, the epsilon, sigma, epsilon_14,
and sigma_14 coefficients for all of the lj/charmm pair styles can be
@ -130,11 +129,6 @@ None of the lj/charmm pair styles support the
corrections to energy and pressure, since the Lennard-Jones portion of
the pair interaction is smoothed to 0.0 at the cutoff.
All of the lj/charmm pair styles can 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.
All of the lj/charmm 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.

8
doc/pair_class2.html
View File

@ -96,8 +96,7 @@ mix</A> setting is thus ignored for class2 potentials
for epsilon and sigma. However it is still followed for mixing the
cutoff distance.
</P>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, and rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, restart, 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/class2 pair styles can be mixed.
@ -119,11 +118,6 @@ capability has not yet been added to this potential.
tail correction to the energy and pressure of the Lennard-Jones
portion of the pair interaction.
</P>
<P>All of the lj/class2 pair styles can 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>All of the lj/class2 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.

8
doc/pair_class2.txt
View File

@ -90,8 +90,7 @@ mix"_pair_modify.html setting is thus ignored for class2 potentials
for epsilon and sigma. However it is still followed for mixing the
cutoff distance.
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, and rRESPA info]:
[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 all of the lj/class2 pair styles can be mixed.
@ -113,11 +112,6 @@ All of the lj/class2 pair styles support the
tail correction to the energy and pressure of the Lennard-Jones
portion of the pair interaction.
All of the lj/class2 pair styles can 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.
All of the lj/class2 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.

8
doc/pair_colloid.html
View File

@ -114,8 +114,7 @@ colloid-solvent cutoff in this case.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>For atom type pairs I,J and I != J, the A, sigma, d1, and d2
coefficients and cutoff distance for this pair style can be mixed. A
@ -133,11 +132,6 @@ for this pair style.
tail option for adding long-range tail corrections to energy and
pressure.
</P>
<P>This pair style can 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.

8
doc/pair_colloid.txt
View File

@ -111,8 +111,7 @@ colloid-solvent cutoff in this case.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info]:
[Mixing, shift, table, tail correction, restart, rRESPA info]:
For atom type pairs I,J and I != J, the A, sigma, d1, and d2
coefficients and cutoff distance for this pair style can be mixed. A
@ -130,11 +129,6 @@ 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 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.

8
doc/pair_coul.html
View File

@ -89,8 +89,7 @@ Coulombic cutoff specified in the pair_style command.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>For atom type pairs I,J and I != J, the cutoff distance for the
<I>coul/cut</I> style can be mixed. The default mix value is <I>geometric</I>.
@ -107,11 +106,6 @@ long-range Coulombic interaction.
tail option for adding long-range tail corrections to energy and
pressure.
</P>
<P>These pair styles can 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>These 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.

8
doc/pair_coul.txt
View File

@ -84,8 +84,7 @@ Coulombic cutoff specified in the pair_style command.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info]:
[Mixing, shift, table, tail correction, restart, rRESPA info]:
For atom type pairs I,J and I != J, the cutoff distance for the
{coul/cut} style can be mixed. The default mix value is {geometric}.
@ -102,11 +101,6 @@ These pair styles do not support the "pair_modify"_pair_modify.html
tail option for adding long-range tail corrections to energy and
pressure.
These pair styles can 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.
These 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.

8
doc/pair_dipole.html
View File

@ -78,8 +78,7 @@ type pair.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>For atom type pairs I,J and I != J, the epsilon and sigma coefficients
and cutoff distances for this pair style can be mixed. The default
@ -102,11 +101,6 @@ for this pair style.
tail option for adding long-range tail corrections to energy and
pressure.
</P>
<P>This pair style can 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.

8
doc/pair_dipole.txt
View File

@ -75,8 +75,7 @@ type pair.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info]:
[Mixing, shift, table, tail correction, restart, rRESPA info]:
For atom type pairs I,J and I != J, the epsilon and sigma coefficients
and cutoff distances for this pair style can be mixed. The default
@ -99,11 +98,6 @@ 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 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.

10
doc/pair_dpd.html
View File

@ -58,8 +58,7 @@ command so it does not need to be specified.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>Thsi pair style does not support mixing. Thus, coefficients for all
I,J pairs must be specified explicitly.
@ -74,13 +73,6 @@ for this pair style.
tail option for adding long-range tail corrections to energy and
pressure.
</P>
<P>This pair style can 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. However, only the first term with the A coefficienct
(conservative force) is used for these computations. The drag force
and random force terms are not.
</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. Note

10
doc/pair_dpd.txt
View File

@ -55,8 +55,7 @@ command so it does not need to be specified.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info]:
[Mixing, shift, table, tail correction, restart, rRESPA info]:
Thsi pair style does not support mixing. Thus, coefficients for all
I,J pairs must be specified explicitly.
@ -71,13 +70,6 @@ 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 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. However, only the first term with the A coefficienct
(conservative force) is used for these computations. The drag force
and random force terms are not.
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. Note

9
doc/pair_eam.html
View File

@ -322,8 +322,7 @@ are listed.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>For atom type pairs I,J and I != J, where types I and J correspond to
two different element types, mixing is performed by LAMMPS as
@ -333,12 +332,6 @@ a pair_coeff command with I != J arguments for the eam styles.
<P>This pair style does not support the <A HREF = "pair_modify.html">pair_modify</A>
shift, table, and tail options.
</P>
<P>All of the eam pair styles can 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. These quantities include the contribution from the
embedding term in the EAM formulas.
</P>
<P>The eam pair styles do not write their information to <A HREF = "restart.html">binary restart
files</A>, since it is stored in potential files. Thus, you
need to re-specify the pair_style and pair_coeff commands in an input

9
doc/pair_eam.txt
View File

@ -314,8 +314,7 @@ are listed.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info]:
[Mixing, shift, table, tail correction, restart, rRESPA info]:
For atom type pairs I,J and I != J, where types I and J correspond to
two different element types, mixing is performed by LAMMPS as
@ -325,12 +324,6 @@ a pair_coeff command with I != J arguments for the eam styles.
This pair style does not support the "pair_modify"_pair_modify.html
shift, table, and tail options.
All of the eam pair styles can 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. These quantities include the contribution from the
embedding term in the EAM formulas.
The eam pair styles do not write their information to "binary restart
files"_restart.html, since it is stored in potential files. Thus, you
need to re-specify the pair_style and pair_coeff commands in an input

8
doc/pair_gayberne.html
View File

@ -116,8 +116,7 @@ to specify its interaction with other spherical particles.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>For atom type pairs I,J and I != J, the epsilon and sigma coefficients
and cutoff distance for this pair style can be mixed. The default mix
@ -136,11 +135,6 @@ for this pair style.
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.

8
doc/pair_gayberne.txt
View File

@ -113,8 +113,7 @@ to specify its interaction with other spherical particles.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info]:
[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. The default mix
@ -133,11 +132,6 @@ 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.

8
doc/pair_gran.html
View File

@ -74,17 +74,11 @@ global settings are made via the pair_style command.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>The <A HREF = "pair_modify.html">pair_modify</A> mix, shift, table, and tail options
are not relevant for granular pair styles.
</P>
<P>These pair styles do 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>These pair styles write their information to <A HREF = "restart.html">binary restart
files</A>, so a pair_style command does not need to be
specified in an input script that reads a restart file.

8
doc/pair_gran.txt
View File

@ -65,17 +65,11 @@ See the citation below for more discussion of granular potentials.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info]:
[Mixing, shift, table, tail correction, restart, rRESPA info]:
The "pair_modify"_pair_modify.html mix, shift, table, and tail options
are not relevant for granular pair styles.
These pair styles do 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.
These pair styles write their information to "binary restart
files"_restart.html, so a pair_style command does not need to be
specified in an input script that reads a restart file.

8
doc/pair_hybrid.html
View File

@ -124,8 +124,7 @@ potentials.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>Any pair potential settings made via the
<A HREF = "pair_modify.html">pair_modify</A> command are passed along to all
@ -146,11 +145,6 @@ doc page for the sub-style to see if allows for mixing.
shift, table, and tail options for an I,J pair interaction, if the
associated sub-style supports it.
</P>
<P>The hybrid pair styles can 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, if all its sub-styles can perform per-atom calculations.
</P>
<P>For the hybrid pair styles, the list of sub-styles and their
respective settings are written to <A HREF = "restart.html">binary restart
files</A>, so a pair_style command does not need to

8
doc/pair_hybrid.txt
View File

@ -120,8 +120,7 @@ potentials.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info]:
[Mixing, shift, table, tail correction, restart, rRESPA info]:
Any pair potential settings made via the
"pair_modify"_pair_modify.html command are passed along to all
@ -142,11 +141,6 @@ The hybrid pair styles supports the "pair_modify"_pair_modify.html
shift, table, and tail options for an I,J pair interaction, if the
associated sub-style supports it.
The hybrid pair styles can 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, if all its sub-styles can perform per-atom calculations.
For the hybrid pair styles, the list of sub-styles and their
respective settings are written to "binary restart
files"_restart.html, so a pair_style command does not need to

8
doc/pair_lj.html
View File

@ -165,8 +165,7 @@ Coulombic cutoff specified in the pair_style command.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, and rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, restart, 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/cut pair styles can be mixed.
@ -187,11 +186,6 @@ interaction.
tail correction to the energy and pressure of the Lennard-Jones
portion of the pair interaction.
</P>
<P>All of the lj/cut pair styles can 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>All of the lj/cut 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.

8
doc/pair_lj.txt
View File

@ -157,8 +157,7 @@ Coulombic cutoff specified in the pair_style command.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, and rRESPA info]:
[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 all of the lj/cut pair styles can be mixed.
@ -179,11 +178,6 @@ All of the lj/cut pair styles support the
tail correction to the energy and pressure of the Lennard-Jones
portion of the pair interaction.
All of the lj/cut pair styles can 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.
All of the lj/cut 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.

8
doc/pair_lj_coul.html
View File

@ -105,8 +105,7 @@ pair, since only one global Coulombic cutoff is allowed.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, restart, 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/cut pair styles can be mixed.
@ -126,11 +125,6 @@ option for adding a long-range tail correction to the Lennard-Jones
portion of the energy and pressure of the pair interaction, assuming
<I>flag_lj</I> is <I>cut</I>.
</P>
<P>This pair style can 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.

8
doc/pair_lj_coul.txt
View File

@ -97,8 +97,7 @@ pair, since only one global Coulombic cutoff is allowed.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info]:
[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 all of the lj/cut pair styles can be mixed.
@ -118,11 +117,6 @@ option for adding a long-range tail correction to the Lennard-Jones
portion of the energy and pressure of the pair interaction, assuming
{flag_lj} is {cut}.
This pair style can 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.

8
doc/pair_lj_expand.html
View File

@ -51,8 +51,7 @@ optional. If not specified, the global LJ cutoff is used.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>For atom type pairs I,J and I != J, the epsilon, sigma, and shift
coefficients and cutoff distance for this pair style can be mixed.
@ -71,11 +70,6 @@ for this pair style.
option for adding a long-range tail correction to the energy and
pressure of the pair interaction.
</P>
<P>This pair style can 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.

8
doc/pair_lj_expand.txt
View File

@ -48,8 +48,7 @@ optional. If not specified, the global LJ cutoff is used.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info]:
[Mixing, shift, table, tail correction, restart, rRESPA info]:
For atom type pairs I,J and I != J, the epsilon, sigma, and shift
coefficients and cutoff distance for this pair style can be mixed.
@ -68,11 +67,6 @@ This pair style supports the "pair_modify"_pair_modify.html tail
option for adding a long-range tail correction to the energy and
pressure of the pair interaction.
This pair style can 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.

8
doc/pair_lj_smooth.html
View File

@ -60,8 +60,7 @@ formula is used.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>For atom type pairs I,J and I != J, the epsilon, sigma, Rin
coefficients and the cutoff distance for this pair style can be mixed.
@ -81,11 +80,6 @@ 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.
</P>
<P>This pair style can 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.

8
doc/pair_lj_smooth.txt
View File

@ -57,8 +57,7 @@ formula is used.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info]:
[Mixing, shift, table, tail correction, restart, rRESPA info]:
For atom type pairs I,J and I != J, the epsilon, sigma, Rin
coefficients and the cutoff distance for this pair style can be mixed.
@ -78,11 +77,6 @@ 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 can 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.

8
doc/pair_lubricate.html
View File

@ -74,8 +74,7 @@ must be specified.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, 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
@ -91,11 +90,6 @@ for this pair style.
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.

8
doc/pair_lubricate.txt
View File

@ -71,8 +71,7 @@ must be specified.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info]:
[Mixing, shift, table, tail correction, 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
@ -88,11 +87,6 @@ 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.

8
doc/pair_meam.html
View File

@ -187,8 +187,7 @@ alloy interaction between elements 1 and 2 to 4.37.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>For atom type pairs I,J and I != J, where types I and J correspond to
two different element types, mixing is performed by LAMMPS with
@ -198,11 +197,6 @@ specify a pair_coeff command with I != J arguments for this style.
<P>This pair style does not support the <A HREF = "pair_modify.html">pair_modify</A>
shift, table, and tail options.
</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 does not write its information to <A HREF = "restart.html">binary restart
files</A>, since it is stored in potential files. Thus, you
need to re-specify the pair_style and pair_coeff commands in an input

8
doc/pair_meam.txt
View File

@ -184,8 +184,7 @@ alloy interaction between elements 1 and 2 to 4.37.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info]:
[Mixing, shift, table, tail correction, restart, rRESPA info]:
For atom type pairs I,J and I != J, where types I and J correspond to
two different element types, mixing is performed by LAMMPS with
@ -195,11 +194,6 @@ specify a pair_coeff command with I != J arguments for this style.
This pair style does not support the "pair_modify"_pair_modify.html
shift, table, and tail options.
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 does not write its information to "binary restart
files"_restart.html, since it is stored in potential files. Thus, you
need to re-specify the pair_style and pair_coeff commands in an input

33
doc/pair_morse.html
View File

@ -55,34 +55,27 @@ of the run time).
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>None of the Morse pair styles support mixing. Thus, coefficients for
all I,J pairs must be specified explicitly.
<P>None of these pair styles support mixing. Thus, coefficients for all
I,J pairs must be specified explicitly.
</P>
<P>All of the Morse pair styles support the
<A HREF = "pair_modify.html">pair_modify</A> shift option for the energy of the pair
interaction.
<P>All of these pair styles 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 options is not relevant for
the Morse pair styles.
</P>
<P>None of the Morse pair styles support the
<A HREF = "pair_modify.html">pair_modify</A> tail option for adding long-range tail
corrections to energy and pressure.
<P>None of these pair styles support the <A HREF = "pair_modify.html">pair_modify</A>
tail option for adding long-range tail corrections to energy and
pressure.
</P>
<P>All of the Morse pair styles can 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>All of these 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>All of the Morse 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>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
<P>These pair styles can only be used via the <I>pair</I> keyword of the
<A HREF = "run_style.html">run_style respa</A> command. They do not support the
<I>inner</I>, <I>middle</I>, <I>outer</I> keywords.
</P>
<HR>

33
doc/pair_morse.txt
View File

@ -51,34 +51,27 @@ of the run time).
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info]:
[Mixing, shift, table, tail correction, restart, rRESPA info]:
None of the Morse pair styles support mixing. Thus, coefficients for
all I,J pairs must be specified explicitly.
None of these pair styles support mixing. Thus, coefficients for all
I,J pairs must be specified explicitly.
All of the Morse pair styles support the
"pair_modify"_pair_modify.html shift option for the energy of the pair
interaction.
All of these pair styles support the "pair_modify"_pair_modify.html
shift option for the energy of the pair interaction.
The "pair_modify"_pair_modify.html table options is not relevant for
the Morse pair styles.
None of the Morse pair styles support the
"pair_modify"_pair_modify.html tail option for adding long-range tail
corrections to energy and pressure.
None of these pair styles support the "pair_modify"_pair_modify.html
tail option for adding long-range tail corrections to energy and
pressure.
All of the Morse pair styles can 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.
All of these 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.
All of the Morse 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.
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
These pair styles can only be used via the {pair} keyword of the
"run_style respa"_run_style.html command. They do not support the
{inner}, {middle}, {outer} keywords.
:line

8
doc/pair_resquared.html
View File

@ -130,8 +130,7 @@ that type in a "pair_coeff I J" command.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>For atom type pairs I,J and I != J, the epsilon and sigma coefficients
and cutoff distance can be mixed, but only for LJ sphere pairs. The
@ -156,11 +155,6 @@ for this pair style.
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.

8
doc/pair_resquared.txt
View File

@ -127,8 +127,7 @@ that type in a "pair_coeff I J" command.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info]:
[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 can be mixed, but only for LJ sphere pairs. The
@ -153,11 +152,6 @@ 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.

8
doc/pair_soft.html
View File

@ -57,8 +57,7 @@ cutoff is used.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>For atom type pairs I,J and I != J, the Astart, Astop coefficients and
cutoff distance for this pair style can be mixed. Astart and Atop are
@ -72,11 +71,6 @@ shift option, since the pair interaction is goes to 0.0 at the cutoff.
<P>The <A HREF = "pair_modify.html">pair_modify</A> table and tail options are not
relevant for this pair style.
</P>
<P>This pair style can 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.

8
doc/pair_soft.txt
View File

@ -54,8 +54,7 @@ cutoff is used.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info]:
[Mixing, shift, table, tail correction, restart, rRESPA info]:
For atom type pairs I,J and I != J, the Astart, Astop coefficients and
cutoff distance for this pair style can be mixed. Astart and Atop are
@ -69,11 +68,6 @@ shift option, since the pair interaction is goes to 0.0 at the cutoff.
The "pair_modify"_pair_modify.html table and tail options are not
relevant for this pair style.
This pair style can 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.

7
doc/pair_style.html
View File

@ -56,11 +56,8 @@ type I-J interaction coefficients and adding energy offsets or tail
corrections to Lennard-Jones potentials. Details on these options as
they pertain to individual potentials are described on the doc page
for the potential. Likewise, info on whether the potential
information is stored in a <A HREF = "write_restart.html">restart file</A> or
whether the potential supports calculation of per-atom energy and
stress by the <A HREF = "compute_epair_atom.html">compute epair/atom</A> and
<A HREF = "compute_stress_atom.html">compute stress/atom</A> commands is given on
the potential doc page.
information is stored in a <A HREF = "write_restart.html">restart file</A> is listed
on the potential doc page.
</P>
<P>In the formulas listed for each pair style, <I>E</I> is the energy of a
pairwise interaction between two atoms separated by a distance <I>r</I>.

7
doc/pair_style.txt
View File

@ -53,11 +53,8 @@ type I-J interaction coefficients and adding energy offsets or tail
corrections to Lennard-Jones potentials. Details on these options as
they pertain to individual potentials are described on the doc page
for the potential. Likewise, info on whether the potential
information is stored in a "restart file"_write_restart.html or
whether the potential supports calculation of per-atom energy and
stress by the "compute epair/atom"_compute_epair_atom.html and
"compute stress/atom"_compute_stress_atom.html commands is given on
the potential doc page.
information is stored in a "restart file"_write_restart.html is listed
on the potential doc page.
In the formulas listed for each pair style, {E} is the energy of a
pairwise interaction between two atoms separated by a distance {r}.

8
doc/pair_sw.html
View File

@ -111,8 +111,7 @@ be set to 0.0 if desired.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>For atom type pairs I,J and I != J, where types I and J correspond to
two different element types, mixing is performed by LAMMPS as
@ -121,11 +120,6 @@ described above from values in the potential file.
<P>This pair style does not support the <A HREF = "pair_modify.html">pair_modify</A>
shift, table, and tail options.
</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 does not write its information to <A HREF = "restart.html">binary restart
files</A>, since it is stored in potential files. Thus, you
need to re-specify the pair_style and pair_coeff commands in an input

8
doc/pair_sw.txt
View File

@ -108,8 +108,7 @@ be set to 0.0 if desired.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info]:
[Mixing, shift, table, tail correction, restart, rRESPA info]:
For atom type pairs I,J and I != J, where types I and J correspond to
two different element types, mixing is performed by LAMMPS as
@ -118,11 +117,6 @@ described above from values in the potential file.
This pair style does not support the "pair_modify"_pair_modify.html
shift, table, and tail options.
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 does not write its information to "binary restart
files"_restart.html, since it is stored in potential files. Thus, you
need to re-specify the pair_style and pair_coeff commands in an input

8
doc/pair_table.html
View File

@ -142,8 +142,7 @@ one that matches the specified keyword.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>This pair style does not support mixing. Thus, coefficients for all
I,J pairs must be specified explicitly.
@ -151,11 +150,6 @@ I,J pairs must be specified explicitly.
<P>The <A HREF = "pair_modify.html">pair_modify</A> shift, table, and tail options are
not relevant for this pair style.
</P>
<P>This pair style can 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 the settings for the "pair_style table" command
to <A HREF = "restart.html">binary restart files</A>, so a pair_style command does
not need to specified in an input script that reads a restart file.

8
doc/pair_table.txt
View File

@ -139,8 +139,7 @@ one that matches the specified keyword.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info]:
[Mixing, shift, table, tail correction, restart, rRESPA info]:
This pair style does not support mixing. Thus, coefficients for all
I,J pairs must be specified explicitly.
@ -148,11 +147,6 @@ I,J pairs must be specified explicitly.
The "pair_modify"_pair_modify.html shift, table, and tail options are
not relevant for this pair style.
This pair style can 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 the settings for the "pair_style table" command
to "binary restart files"_restart.html, so a pair_style command does
not need to specified in an input script that reads a restart file.

8
doc/pair_tersoff.html
View File

@ -151,8 +151,7 @@ defined in various papers.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>For atom type pairs I,J and I != J, where types I and J correspond to
two different element types, mixing is performed by LAMMPS as
@ -161,11 +160,6 @@ described above from values in the potential file.
<P>This pair style does not support the <A HREF = "pair_modify.html">pair_modify</A>
shift, table, and tail options.
</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 does not write its information to <A HREF = "restart.html">binary restart
files</A>, since it is stored in potential files. Thus, you
need to re-specify the pair_style and pair_coeff commands in an input

8
doc/pair_tersoff.txt
View File

@ -148,8 +148,7 @@ defined in various papers.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info]:
[Mixing, shift, table, tail correction, restart, rRESPA info]:
For atom type pairs I,J and I != J, where types I and J correspond to
two different element types, mixing is performed by LAMMPS as
@ -158,11 +157,6 @@ described above from values in the potential file.
This pair style does not support the "pair_modify"_pair_modify.html
shift, table, and tail options.
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 does not write its information to "binary restart
files"_restart.html, since it is stored in potential files. Thus, you
need to re-specify the pair_style and pair_coeff commands in an input

8
doc/pair_yukawa.html
View File

@ -46,8 +46,7 @@ cutoff is used.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info</B>:
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>For atom type pairs I,J and I != J, the A coefficient and cutoff
distance for this pair style can be mixed. A is an energy value mixed
@ -64,11 +63,6 @@ for this pair style.
tail option for adding long-range tail corrections to energy and
pressure.
</P>
<P>This pair style can 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.

8
doc/pair_yukawa.txt
View File

@ -43,8 +43,7 @@ cutoff is used.
:line
[Mixing, shift, table, tail correction, per-atom energy/stress,
restart, rRESPA info]:
[Mixing, shift, table, tail correction, restart, rRESPA info]:
For atom type pairs I,J and I != J, the A coefficient and cutoff
distance for this pair style can be mixed. A is an energy value mixed
@ -61,11 +60,6 @@ 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 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.