git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1564 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
@ -88,7 +88,7 @@ in the LAMMPS distribution.
|
||||
<LI><A HREF = "#bond">Bond, angle, dihedral, improper potentials</A>
|
||||
<LI><A HREF = "#compute">Compute styles</A>
|
||||
<LI><A HREF = "#dump">Dump styles</A>
|
||||
<LI><A HREF = "#dump">Dump custom output optoins</A>
|
||||
<LI><A HREF = "#dump">Dump custom output options</A>
|
||||
<LI><A HREF = "#fix">Fix styles</A> which include integrators, temperature and pressure control, force constraints, boundary conditions, diagnostic output, etc
|
||||
<LI><A HREF = "#command">Input script commands</A>
|
||||
<LI><A HREF = "#kspace">Kspace computations</A>
|
||||
@ -373,7 +373,7 @@ needed.
|
||||
<A NAME = "kspace"></A><H4>Kspace computations
|
||||
</H4>
|
||||
<P>Classes that compute long-range Coulombic interactions via K-space
|
||||
represenations (Ewald, PPPM) are derived from the KSpace class. New
|
||||
representations (Ewald, PPPM) are derived from the KSpace class. New
|
||||
styles can be created to add new K-space options to LAMMPS.
|
||||
</P>
|
||||
<P>Ewald.cpp is an example of computing K-space interactions.
|
||||
@ -469,7 +469,7 @@ thermodynamic info is output. See the
|
||||
quantities.
|
||||
</P>
|
||||
<P>The thermo styles (one, multi, etc) are simply lists of keywords.
|
||||
Adding a new style thus only requies defining a new list of keywords.
|
||||
Adding a new style thus only requires defining a new list of keywords.
|
||||
Search for the word "customize" with references to "thermo style" in
|
||||
thermo.cpp to see the two locations where code will need to be added.
|
||||
</P>
|
||||
@ -503,7 +503,7 @@ group functions = mass(group), xcm(group,x), ...
|
||||
atom values = x<B>123</B>, y<B>3</B>, vx<B>34</B>, ...
|
||||
compute values = c_mytemp<B>0</B>, c_thermo_press<B>3</B>, ...
|
||||
</P>
|
||||
<P>Adding keywords for the <A HREF = "themo_style.html">thermo_style custom</A> command
|
||||
<P>Adding keywords for the <A HREF = "thermo_style.html">thermo_style custom</A> command
|
||||
(which can then be accessed by variables) was discussed
|
||||
<A HREF = "Section_modify.html#thermo">here</A> on this page.
|
||||
</P>
|
||||
@ -590,7 +590,7 @@ should indicate that your feature is only available if LAMMPS is built
|
||||
with the "user-foo" package. See other user package files for an
|
||||
example of how to do this.
|
||||
</P>
|
||||
<P>Note that the more clear and self-exaplantory you make your doc and
|
||||
<P>Note that the more clear and self-explanatory you make your doc and
|
||||
README files, the more likely it is that users will try out your new
|
||||
feature.
|
||||
</P>
|
||||
|
||||
Reference in New Issue
Block a user