Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F102647152
improper_style_cvff.html
No One
Temporary
Actions
Download File
Edit File
Delete File
View Transforms
Subscribe
Mute Notifications
Award Token
Subscribers
None
File Metadata
Details
File Info
Storage
Attached
Created
Sat, Feb 22, 20:36
Size
1 KB
Mime Type
text/html
Expires
Mon, Feb 24, 20:36 (2 d)
Engine
blob
Format
Raw Data
Handle
24388338
Attached To
rLAMMPS lammps
improper_style_cvff.html
View Options
<HTML>
<CENTER><A
HREF =
"http://lammps.sandia.gov"
>
LAMMPS WWW Site
</A>
-
<A
HREF =
"Manual.html"
>
LAMMPS Documentation
</A>
-
<A
HREF =
"Section_commands.html#comm"
>
LAMMPS Commands
</A>
</CENTER>
<HR>
<H3>
improper_style cvff command
</H3>
<P><B>
Syntax:
</B>
</P>
<PRE>
improper_style cvff
</PRE>
<P><B>
Examples:
</B>
</P>
<PRE>
improper_style cvff
improper_coeff 1 80.0 -1 4
</PRE>
<P><B>
Description:
</B>
</P>
<P>
The
<I>
cvff
</I>
improper style uses the potential
</P>
<CENTER><IMG
SRC =
"Eqs/improper_cvff.jpg"
>
</CENTER>
<P>
where phi is the Wilson out-of-plane angle.
</P>
<P>
The following coefficients must be defined for each improper type via the
<A
HREF =
"improper_coeff.html"
>
improper_coeff
</A>
command as in the example above, or in
the data file or restart files read by the
<A
HREF =
"read_data.html"
>
read_data
</A>
or
<A
HREF =
"read_restart.html"
>
read_restart
</A>
commands:
</P>
<UL><LI>
K (energy)
<LI>
d (+1 or -1)
<LI>
n (0,1,2,3,4,6)
</UL>
<P><B>
Restrictions:
</B>
</P>
<P>
Improper styles can only be set for atom styles that allow impropers to be
defined.
</P>
<P>
This improper style is part of the "molecular" package. It is only
enabled if LAMMPS was built with that package. See the
<A
HREF =
"Section_start.html#2_2"
>
Making
LAMMPS
</A>
section for more info.
</P>
<P><B>
Related commands:
</B>
</P>
<P><A
HREF =
"improper_coeff.html"
>
improper_coeff
</A>
</P>
<P><B>
Default:
</B>
none
</P>
</HTML>
Event Timeline
Log In to Comment