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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12038 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2014-05-28 14:12:33 +00:00
parent 29f66ff375
commit f089c205de
2 changed files with 14 additions and 4 deletions
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9
doc/compute_pair_local.html
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@ -88,11 +88,16 @@ command in a consistent way.
1-4 interactions within the molecular topology, their pairwise
interaction may be turned off, and thus they may not appear in the
neighbor list, and will not be part of the local data created by this
command. More specifically, this may be true of I,J pairs with a
command. More specifically, this will be true of I,J pairs with a
weighting factor of 0.0; pairs with a non-zero weighting factor are
included. The weighting factors for 1-2, 1-3, and 1-4 pairwise
interactions are set by the <A HREF = "special_bonds.html">special_bonds</A>
command.
command. An exception is if long-range Coulombics are being computed
via the <A HREF = "kspace_style.html">kspace_style</A> command, then atom pairs with
weighting factors of zero are still included in the neighbor list, so
that a portion of the long-range interaction contribution can be
computed in the pair style. Hence in that case, those atom pairs will
be part of the local data created by this command.
</P>
<P><B>Output info:</B>
</P>

9
doc/compute_pair_local.txt
View File

@ -80,11 +80,16 @@ IMPORTANT NOTE: For pairs, if two atoms I,J are involved in 1-2, 1-3,
1-4 interactions within the molecular topology, their pairwise
interaction may be turned off, and thus they may not appear in the
neighbor list, and will not be part of the local data created by this
command. More specifically, this may be true of I,J pairs with a
command. More specifically, this will be true of I,J pairs with a
weighting factor of 0.0; pairs with a non-zero weighting factor are
included. The weighting factors for 1-2, 1-3, and 1-4 pairwise
interactions are set by the "special_bonds"_special_bonds.html
command.
command. An exception is if long-range Coulombics are being computed
via the "kspace_style"_kspace_style.html command, then atom pairs with
weighting factors of zero are still included in the neighbor list, so
that a portion of the long-range interaction contribution can be
computed in the pair style. Hence in that case, those atom pairs will
be part of the local data created by this command.
[Output info:]