ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

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

Browse Source
This commit is contained in:
sjplimp
2015-01-20 20:27:12 +00:00
parent 7361c8d0a3
commit 774cd794a5
2 changed files with 16 additions and 18 deletions
Download Patch File Download Diff File Expand all files Collapse all files

17
doc/create_bonds.html
View File

@ -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
a distance that encompasses the <I>rmax</I> for new bonds to create.
</P>
<P>An additional requirement is that a simulation be "ready to run", as
if a <A HREF = "run.html">run</A> command were about to be issued. This means, for
example, that all <A HREF = "pair_style.html">pair_style</A> coefficients be set via
the <A HREF = "pair_coeff.html">pair_coeff</A> command. A
<A HREF = "bond_style.html">bond_style</A> command and all bond coefficients must
also be set, even if no bonds exist before this command is invoked.
This is because the building of neighbor list requires initialization
and setup of a simulation, similar to what a <A HREF = "run.html">run</A> command
would require.
<P>An additional requirement is that your system must be ready to perform
a simulation. This means, for example, that all
<A HREF = "pair_style.html">pair_style</A> coefficients be set via the
<A HREF = "pair_coeff.html">pair_coeff</A> command. A <A HREF = "bond_style.html">bond_style</A>
command and all bond coefficients must also be set, even if no bonds
exist before this command is invoked. This is because the building of
neighbor list requires initialization and setup of a simulation,
similar to what a <A HREF = "run.html">run</A> command would require.
</P>
<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

17
doc/create_bonds.txt
View File

@ -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
a distance that encompasses the {rmax} for new bonds to create.
An additional requirement is that a simulation be "ready to run", as
if a "run"_run.html command were about to be issued. This means, for
example, that all "pair_style"_pair_style.html coefficients be set via
the "pair_coeff"_pair_coeff.html command. A
"bond_style"_bond_style.html command and all bond coefficients must
also be set, even if no bonds exist before this command is invoked.
This is because the building of neighbor list requires initialization
and setup of a simulation, similar to what a "run"_run.html command
would require.
An additional requirement is that your system must be ready to perform
a simulation. This means, for example, that all
"pair_style"_pair_style.html coefficients be set via the
"pair_coeff"_pair_coeff.html command. A "bond_style"_bond_style.html
command and all bond coefficients must also be set, even if no bonds
exist before this command is invoked. This is because the building of
neighbor list requires initialization and setup of a simulation,
similar to what a "run"_run.html command would require.
Note that you can change any of these settings after this command
executes, e.g. if you wish to use long-range Coulombic interactions