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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12967 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-01-20 20:27:12 +00:00
parent 7361c8d0a3
commit 774cd794a5
2 changed files with 16 additions and 18 deletions
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17
doc/create_bonds.html
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@ -72,15 +72,14 @@ cannot appear in the neighbor list, to avoid creation of duplicate
bonds. The neighbor list for all atom type pairs must also extend to bonds. The neighbor list for all atom type pairs must also extend to
a distance that encompasses the <I>rmax</I> for new bonds to create. a distance that encompasses the <I>rmax</I> for new bonds to create.
</P> </P>
<P>An additional requirement is that a simulation be "ready to run", as <P>An additional requirement is that your system must be ready to perform
if a <A HREF = "run.html">run</A> command were about to be issued. This means, for a simulation. This means, for example, that all
example, that all <A HREF = "pair_style.html">pair_style</A> coefficients be set via <A HREF = "pair_style.html">pair_style</A> coefficients be set via the
the <A HREF = "pair_coeff.html">pair_coeff</A> command. A <A HREF = "pair_coeff.html">pair_coeff</A> command. A <A HREF = "bond_style.html">bond_style</A>
<A HREF = "bond_style.html">bond_style</A> command and all bond coefficients must command and all bond coefficients must also be set, even if no bonds
also be set, even if no bonds exist before this command is invoked. exist before this command is invoked. This is because the building of
This is because the building of neighbor list requires initialization neighbor list requires initialization and setup of a simulation,
and setup of a simulation, similar to what a <A HREF = "run.html">run</A> command similar to what a <A HREF = "run.html">run</A> command would require.
would require.
</P> </P>
<P>Note that you can change any of these settings after this command <P>Note that you can change any of these settings after this command
executes, e.g. if you wish to use long-range Coulombic interactions executes, e.g. if you wish to use long-range Coulombic interactions

17
doc/create_bonds.txt
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@ -69,15 +69,14 @@ cannot appear in the neighbor list, to avoid creation of duplicate
bonds. The neighbor list for all atom type pairs must also extend to bonds. The neighbor list for all atom type pairs must also extend to
a distance that encompasses the {rmax} for new bonds to create. a distance that encompasses the {rmax} for new bonds to create.
An additional requirement is that a simulation be "ready to run", as An additional requirement is that your system must be ready to perform
if a "run"_run.html command were about to be issued. This means, for a simulation. This means, for example, that all
example, that all "pair_style"_pair_style.html coefficients be set via "pair_style"_pair_style.html coefficients be set via the
the "pair_coeff"_pair_coeff.html command. A "pair_coeff"_pair_coeff.html command. A "bond_style"_bond_style.html
"bond_style"_bond_style.html command and all bond coefficients must command and all bond coefficients must also be set, even if no bonds
also be set, even if no bonds exist before this command is invoked. exist before this command is invoked. This is because the building of
This is because the building of neighbor list requires initialization neighbor list requires initialization and setup of a simulation,
and setup of a simulation, similar to what a "run"_run.html command similar to what a "run"_run.html command would require.
would require.
Note that you can change any of these settings after this command Note that you can change any of these settings after this command
executes, e.g. if you wish to use long-range Coulombic interactions executes, e.g. if you wish to use long-range Coulombic interactions