(54856bbb) · Commits · 郑智淋 / lammps

doc/Section_modify.html

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		@@ -560,7 +560,7 @@ not want to make those changes.
		</P>
		<P>Here is what you need to do to submit a user package for our
		consideration. Following these steps will save time for both you and
		us. See existing package files for examples of these details.
		us. See existing package files for examples.
		</P>
		<P>Your user package will be a directory with a name like USER-FOO. In
		addition to your new files, the directory should contain a README,

doc/Section_modify.txt

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		@@ -537,7 +537,7 @@ not want to make those changes.

		Here is what you need to do to submit a user package for our
		consideration. Following these steps will save time for both you and
		us. See existing package files for examples of these details.
		us. See existing package files for examples.

		Your user package will be a directory with a name like USER-FOO. In
		addition to your new files, the directory should contain a README,

doc/pair_airebo.html

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		@@ -106,8 +106,8 @@ off.
		</P>
		<HR>

		<P><B>Mixing, shift, table, tail correction, per-atom energy/stress, and
		restart info</B>:
		<P><B>Mixing, shift, table, tail correction, per-atom energy/stress,
		restart, and 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.
		@@ -122,6 +122,11 @@ 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
		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 of the <A HREF = "run_style.html">run_style
		command</A>.
		</P>
		<P><B>Restrictions:</B>
		</P>
		<P>This pair style is part of the "manybody" package. It is only enabled

doc/pair_airebo.txt

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		@@ -103,8 +103,8 @@ off.

		:line

		[Mixing, shift, table, tail correction, per-atom energy/stress, and
		restart info]:
		[Mixing, shift, table, tail correction, per-atom energy/stress,
		restart, and rRESPA info]:

		This pair style does not support the "pair_modify"_pair_modify.html
		mix, shift, table, and tail options.
		@@ -119,6 +119,11 @@ 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
		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 of the "run_style
		command"_run_style.html.

		[Restrictions:]

		This pair style is part of the "manybody" package. It is only enabled

doc/pair_buck.html

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		@@ -72,6 +72,8 @@ commands:
		<LI>cutoff (distance units)
		<LI>cutoff2 (distance units)
		</UL>
		<P>The second coefficient, rho, must be greater than zero.
		</P>
		<P>The latter 2 coefficients are optional. If not specified, the global
		LJ and Coulombic cutoffs are used. If only one cutoff is specified,
		it is used as the cutoff for both LJ and Coulombic interactions for
		@@ -79,8 +81,6 @@ this type pair. If both coefficients are specified, they are used as
		the LJ and Coulombic cutoffs for this type pair. You cannot specify 2
		cutoffs for style <I>buck</I>, since it has no Coulombic terms.
		</P>
		<P>The second coefficient, rho, must be greater than zero.
		</P>
		<P>For <I>buck/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
		@@ -106,15 +106,20 @@ 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 Buckinham pair styles can calculate per-atom energy and
		<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 Buckinham pair styles write their information to <A HREF = "restart.html">binary
		<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.
		</P>
		<P>All of the Buckingham 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 of the <A HREF = "run_style.html">run_style
		command</A>.
		</P>
		<P><B>Restrictions:</B>
		</P>
		<P>The <I>buck/coul/long</I> style is part of the "kspace" package. It is

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