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mass.html
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Tue, Feb 18, 19:11
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Thu, Feb 20, 19:11 (2 d)
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rLAMMPS lammps
mass.html
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<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>
mass command
</H3>
<P><B>
Syntax:
</B>
</P>
<PRE>
mass I value
</PRE>
<UL><LI>
I = atom type (see asterik form below)
<LI>
value = mass
</UL>
<P><B>
Examples:
</B>
</P>
<PRE>
mass 1 1.0
mass * 62.5
mass 2* 62.5
</PRE>
<P><B>
Description:
</B>
</P>
<P>
Set the mass for all atoms of one or more atom types. Mass values can
also be set in the
<A
HREF =
"read_data.html"
>
read_data
</A>
data file. See the
<A
HREF =
"units.html"
>
units
</A>
command for what mass units to use.
</P>
<P>
Most atom styles require masses to be specified. One exception is
<A
HREF =
"atom_style.html"
>
atom_style granular
</A>
, where masses are defined for
individual atoms, not types.
<A
HREF =
"pair_eam.html"
>
Pair_style eam
</A>
defines
the masses of atom types in the EAM potential file.
</P>
<P>
I can be specified in one of two ways. An explicit numeric value can
be used, as in the 1st example above. Or a wild-card asterik can be
used to set the mass for multiple atom types. This takes the form "*"
or "*n" or "n*" or "m*n". If N = the number of atom types, then an
asterik with no numeric values means all types from 1 to N. A leading
asterik means all types from 1 to n (inclusive). A trailing asterik
means all types from n to N (inclusive). A middle asterik means all
types from m to n (inclusive).
</P>
<P>
A line in a data file that specifies mass uses the same format as the
arguments of the mass command in an input script, except that no
wild-card asterik can be used. For example, under the "Masses"
section of a data file, the line that corresponds to the 1st example
above would be listed as
</P>
<PRE>
1 1.0
</PRE>
<P><B>
Restrictions:
</B>
</P>
<P>
This command must come after the simulation box is defined by a
<A
HREF =
"read_data.html"
>
read_data
</A>
,
<A
HREF =
"read_restart.html"
>
read_restart
</A>
, or
<A
HREF =
"create_box.html"
>
create_box
</A>
command.
</P>
<P>
All masses must be defined before a simulation is run (if the atom
style requires masses be set). They must also all be defined before a
<A
HREF =
"velocity.html"
>
velocity
</A>
or
<A
HREF =
"fix_shake.html"
>
fix shake
</A>
command is
used.
</P>
<P><B>
Related commands:
</B>
none
</P>
<P><B>
Default:
</B>
none
</P>
</HTML>
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