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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11856 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2014-04-30 20:58:58 +00:00
parent 3efa520d07
commit 6406151a50
2 changed files with 22 additions and 10 deletions
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16
doc/delete_atoms.html
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@ -91,11 +91,17 @@ has already been assigned.
</P>
<P>It the <I>mol</I> keyword is set to <I>yes</I>, then for every atom that is
deleted, all other atoms in the same molecule will also be deleted.
This keyword is only used by the <I>region</I> style. It is a way to
insure that entire molecules are deleted instead of only a subset of
atoms in the molecule which will typically lead to errors because of
bond, angle, or dihedral interactions stored by remaining atoms which
reference deleted atoms.
This is a way to insure that entire molecules are deleted instead of
only a subset of atoms in the molecule which will typically lead to
errors because of bond, angle, or dihedral interactions stored by
remaining atoms which reference deleted atoms.
</P>
<P>IMPORTANT NOTE: The molecule deletion operation in invoked after all
individual atoms have been deleted using the rules described above for
each style. This means additional atoms may be deleted that are not
in the group or region, that are not required by the overlap cutoff
criterion, or that will create a higher fraction of porosity than was
requested.
</P>
<P><B>Restrictions:</B>
</P>

16
doc/delete_atoms.txt
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@ -83,11 +83,17 @@ has already been assigned.
It the {mol} keyword is set to {yes}, then for every atom that is
deleted, all other atoms in the same molecule will also be deleted.
This keyword is only used by the {region} style. It is a way to
insure that entire molecules are deleted instead of only a subset of
atoms in the molecule which will typically lead to errors because of
bond, angle, or dihedral interactions stored by remaining atoms which
reference deleted atoms.
This is a way to insure that entire molecules are deleted instead of
only a subset of atoms in the molecule which will typically lead to
errors because of bond, angle, or dihedral interactions stored by
remaining atoms which reference deleted atoms.
IMPORTANT NOTE: The molecule deletion operation in invoked after all
individual atoms have been deleted using the rules described above for
each style. This means additional atoms may be deleted that are not
in the group or region, that are not required by the overlap cutoff
criterion, or that will create a higher fraction of porosity than was
requested.
[Restrictions:]