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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12831 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2014-12-15 18:31:18 +00:00
parent a58e9a481f
commit fad2b8a073
2 changed files with 18 additions and 12 deletions
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15
doc/fix_gcmc.html
View File

@ -83,12 +83,15 @@ translations are attempted 100% of the time. For MC exchanges of either
molecular or atomic gasses, deletions and insertions are each attempted
with 50% probability.
</P>
<P>If inserted particles are individual atoms, they are assigned the
specified atom type. If they are molecules, the type of each atom in
the inserted molecule is specified in the file read by the
<A HREF = "molecule.html">molecule</A> command, and those values are added to the
specified atom type. E.g. if <I>type</I> = 2, and the file specifies atom
types 1,2,3, then the inserted molecule will have atom types 3,4,5.
<P>All inserted particles are assigned to two groups: the default group
"all" and the group specified in the fix gcmc command (which can also
be "all"). If inserted particles are individual atoms, they are
assigned the specified atom type. If they are molecules, the type of
each atom in the inserted molecule is specified in the file read by
the <A HREF = "molecule.html">molecule</A> command, and those values are added to
the specified atom type. E.g. if <I>type</I> = 2, and the file specifies
atom types 1,2,3, then the inserted molecule will have atom types
3,4,5.
</P>
<P>This fix cannot be used to perform MC insertions of gas atoms or
molecules other than the exchanged type, but MC deletions, translations,

15
doc/fix_gcmc.txt
View File

@ -67,12 +67,15 @@ translations are attempted 100% of the time. For MC exchanges of either
molecular or atomic gasses, deletions and insertions are each attempted
with 50% probability.
If inserted particles are individual atoms, they are assigned the
specified atom type. If they are molecules, the type of each atom in
the inserted molecule is specified in the file read by the
"molecule"_molecule.html command, and those values are added to the
specified atom type. E.g. if {type} = 2, and the file specifies atom
types 1,2,3, then the inserted molecule will have atom types 3,4,5.
All inserted particles are assigned to two groups: the default group
"all" and the group specified in the fix gcmc command (which can also
be "all"). If inserted particles are individual atoms, they are
assigned the specified atom type. If they are molecules, the type of
each atom in the inserted molecule is specified in the file read by
the "molecule"_molecule.html command, and those values are added to
the specified atom type. E.g. if {type} = 2, and the file specifies
atom types 1,2,3, then the inserted molecule will have atom types
3,4,5.
This fix cannot be used to perform MC insertions of gas atoms or
molecules other than the exchanged type, but MC deletions, translations,