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2 small bug fixes to load balancing

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This commit is contained in:
Steven J. Plimpton
2018-07-11 15:55:16 -06:00
parent f288331874
commit b31f0245d0
4 changed files with 26 additions and 11 deletions
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16
doc/src/run_style.txt
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@ -173,11 +173,17 @@ have their force go ramped to 0.0 so the overlap with the next regime
compute forces for all pairs from 5.0 outward, with those from 5.0 to
6.0 having their value ramped in an inverse manner.
Only some pair potentials support the use of the {inner} and {middle}
and {outer} keywords. If not, only the {pair} keyword can be used
with that pair style, meaning all pairwise forces are computed at the
same rRESPA level. See the doc pages for individual pair styles for
details.i
Note that you can use {inner} and {outer} without using {middle} to
split the pairwise computations into two portions instead of three.
Unless you are using a very long pairwise cutoff, a 2-way split is
often faster than a 3-way split, since it avoids too much duplicate
computation of pairwise interactions near the intermediate cutoffs.
Also note that only a few pair potentials support the use of the
{inner} and {middle} and {outer} keywords. If not, only the {pair}
keyword can be used with that pair style, meaning all pairwise forces
are computed at the same rRESPA level. See the doc pages for
individual pair styles for details.
Another option for using pair potentials with rRESPA is with the
{hybrid} keyword, which requires the use of the "pair_style hybrid or