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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11994 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-05-15 13:18:56 +00:00
parent bf8f07d85a
commit 527b91492c
6 changed files with 20 additions and 14 deletions
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3
doc/compute_gyration.html
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@ -62,7 +62,8 @@ options.
</P> </P>
<P>The scalar and vector values calculated by this compute are <P>The scalar and vector values calculated by this compute are
"intensive". The scalar and vector values will be in distance "intensive". The scalar and vector values will be in distance
<A HREF = "units.html">units</A>. <A HREF = "units.html">units</A>, since they are the square root of values
represented by the formula above.
</P> </P>
<P><B>Restrictions:</B> none <P><B>Restrictions:</B> none
</P> </P>

3
doc/compute_gyration.txt
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@ -59,7 +59,8 @@ options.
The scalar and vector values calculated by this compute are The scalar and vector values calculated by this compute are
"intensive". The scalar and vector values will be in distance "intensive". The scalar and vector values will be in distance
"units"_units.html. "units"_units.html, since they are the square root of values
represented by the formula above.
[Restrictions:] none [Restrictions:] none

3
doc/compute_gyration_molecule.html
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@ -88,7 +88,8 @@ options.
</P> </P>
<P>All the vector or array values calculated by this compute are <P>All the vector or array values calculated by this compute are
"intensive". The vector or array values will be in distance "intensive". The vector or array values will be in distance
<A HREF = "units.html">units</A>. <A HREF = "units.html">units</A>, since they are the square root of values
represented by the formula above.
</P> </P>
<P><B>Restrictions:</B> none <P><B>Restrictions:</B> none
</P> </P>

3
doc/compute_gyration_molecule.txt
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@ -80,7 +80,8 @@ options.
All the vector or array values calculated by this compute are All the vector or array values calculated by this compute are
"intensive". The vector or array values will be in distance "intensive". The vector or array values will be in distance
"units"_units.html. "units"_units.html, since they are the square root of values
represented by the formula above.
[Restrictions:] none [Restrictions:] none

11
doc/delete_atoms.html
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@ -90,11 +90,12 @@ number of atoms in the system. This is not done for molecular systems
has already been assigned. has already been assigned.
</P> </P>
<P>It the <I>mol</I> keyword is set to <I>yes</I>, then for every atom that is <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. deleted, all other atoms in the same molecule (i.e. with the same
This is a way to insure that entire molecules are deleted instead of molecule ID) will also be deleted. This is a way to insure that
only a subset of atoms in the molecule which will typically lead to entire molecules are deleted instead of only a subset of atoms in the
errors because of bond, angle, or dihedral interactions stored by molecule which will typically lead to errors because of bond, angle,
remaining atoms which reference deleted atoms. or dihedral interactions stored by remaining atoms which reference
deleted atoms.
</P> </P>
<P>IMPORTANT NOTE: The molecule deletion operation in invoked after all <P>IMPORTANT NOTE: The molecule deletion operation in invoked after all
individual atoms have been deleted using the rules described above for individual atoms have been deleted using the rules described above for

11
doc/delete_atoms.txt
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@ -82,11 +82,12 @@ number of atoms in the system. This is not done for molecular systems
has already been assigned. has already been assigned.
It the {mol} keyword is set to {yes}, then for every atom that is 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. deleted, all other atoms in the same molecule (i.e. with the same
This is a way to insure that entire molecules are deleted instead of molecule ID) will also be deleted. This is a way to insure that
only a subset of atoms in the molecule which will typically lead to entire molecules are deleted instead of only a subset of atoms in the
errors because of bond, angle, or dihedral interactions stored by molecule which will typically lead to errors because of bond, angle,
remaining atoms which reference deleted atoms. or dihedral interactions stored by remaining atoms which reference
deleted atoms.
IMPORTANT NOTE: The molecule deletion operation in invoked after all IMPORTANT NOTE: The molecule deletion operation in invoked after all
individual atoms have been deleted using the rules described above for individual atoms have been deleted using the rules described above for