git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11856 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
@ -91,11 +91,17 @@ has already been assigned.
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</P>
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</P>
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<P>It the <I>mol</I> keyword is set to <I>yes</I>, then for every atom that is
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<P>It the <I>mol</I> keyword is set to <I>yes</I>, then for every atom that is
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deleted, all other atoms in the same molecule will also be deleted.
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deleted, all other atoms in the same molecule will also be deleted.
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This keyword is only used by the <I>region</I> style. It is a way to
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This is a way to insure that entire molecules are deleted instead of
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insure that entire molecules are deleted instead of only a subset of
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only a subset of atoms in the molecule which will typically lead to
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atoms in the molecule which will typically lead to errors because of
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errors because of bond, angle, or dihedral interactions stored by
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bond, angle, or dihedral interactions stored by remaining atoms which
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remaining atoms which reference deleted atoms.
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reference deleted atoms.
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</P>
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<P>IMPORTANT NOTE: The molecule deletion operation in invoked after all
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individual atoms have been deleted using the rules described above for
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each style. This means additional atoms may be deleted that are not
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in the group or region, that are not required by the overlap cutoff
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criterion, or that will create a higher fraction of porosity than was
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requested.
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</P>
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</P>
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<P><B>Restrictions:</B>
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<P><B>Restrictions:</B>
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</P>
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</P>
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@ -83,11 +83,17 @@ has already been assigned.
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It the {mol} keyword is set to {yes}, then for every atom that is
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It the {mol} keyword is set to {yes}, then for every atom that is
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deleted, all other atoms in the same molecule will also be deleted.
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deleted, all other atoms in the same molecule will also be deleted.
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This keyword is only used by the {region} style. It is a way to
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This is a way to insure that entire molecules are deleted instead of
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insure that entire molecules are deleted instead of only a subset of
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only a subset of atoms in the molecule which will typically lead to
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atoms in the molecule which will typically lead to errors because of
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errors because of bond, angle, or dihedral interactions stored by
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bond, angle, or dihedral interactions stored by remaining atoms which
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remaining atoms which reference deleted atoms.
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reference deleted atoms.
|
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IMPORTANT NOTE: The molecule deletion operation in invoked after all
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individual atoms have been deleted using the rules described above for
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each style. This means additional atoms may be deleted that are not
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in the group or region, that are not required by the overlap cutoff
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criterion, or that will create a higher fraction of porosity than was
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requested.
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[Restrictions:]
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[Restrictions:]
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