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multiscale
lammps
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8b944e06
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8b944e06
authored
6 years ago
by
mkanski
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Small changes in doc file
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doc/src/compute_pair.txt
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8b944e06
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@@ -18,7 +18,7 @@ pstyle = style name of a pair style that calculates additional values :l
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@@ -18,7 +18,7 @@ pstyle = style name of a pair style that calculates additional values :l
zero or more keyword/value pairs may be appended :l
zero or more keyword/value pairs may be appended :l
keyword = {evalue} or {nsub}
keyword = {evalue} or {nsub}
{evalue} arg = {epair} or {evdwl} or {ecoul}
{evalue} arg = {epair} or {evdwl} or {ecoul}
{nsub} n = use {n}-th instance of a sub-style in a pair_style hybrid or hybrid/overlay command :pre
{nsub} n = use
the
{n}-th instance of a sub-style in a pair_style hybrid or hybrid/overlay command :pre
:ule
:ule
[Examples:]
[Examples:]
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@@ -39,14 +39,15 @@ NOTE: The group specified for this command is [ignored].
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@@ -39,14 +39,15 @@ NOTE: The group specified for this command is [ignored].
The specified {pstyle} must be a pair style used in your simulation
The specified {pstyle} must be a pair style used in your simulation
either by itself or as a sub-style in a "pair_style hybrid or
either by itself or as a sub-style in a "pair_style hybrid or
hybrid/overlay"_pair_hybrid.html command. If the sub-style is
hybrid/overlay"_pair_hybrid.html command. If the sub-style is
used more than once, additional keyword {nsub} has to be specified in
used more than once, an additional keyword {nsub} has to be
order to choose a single instance.
specified in order to choose which instance of the sub-style will
be used by the compute.
NOTE: The {nsub} keyword should be used only if the sub-style occurs
NOTE: The {nsub} keyword should be used only if the sub-style occurs
multiple times. Its value must be an integer from 1 to M, where M is
multiple times. Its value must be an integer from 1 to M, where M is
the number of times the sub-style is listed in the "pair_style hybrid
the number of times the sub-style is listed in the "pair_style hybrid
or hybrid/overlay"_pair_hybrid.html" command. If the pair style is
or hybrid/overlay"_pair_hybrid.html" command. If the pair style is
used once, {nsub} must remain zero.
used
only
once, {nsub} must remain zero.
The {evalue} setting is optional. All
The {evalue} setting is optional. All
pair styles tally a potential energy {epair} which may be broken into
pair styles tally a potential energy {epair} which may be broken into
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