2016-05-10 01:33:12 +08:00
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< li > fix nve/eff command< / li >
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< a href = "Section_commands.html#comm" > Commands< / a >
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< div class = "section" id = "fix-nve-eff-command" >
< span id = "index-0" > < / span > < h1 > fix nve/eff command< / h1 >
< div class = "section" id = "syntax" >
< h2 > Syntax< / h2 >
< div class = "highlight-default" > < div class = "highlight" > < pre > < span > < / span > < span class = "n" > fix< / span > < span class = "n" > ID< / span > < span class = "n" > group< / span > < span class = "o" > -< / span > < span class = "n" > ID< / span > < span class = "n" > nve< / span > < span class = "o" > /< / span > < span class = "n" > eff< / span >
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< li > ID, group-ID are documented in < a class = "reference internal" href = "fix.html" > < span class = "doc" > fix< / span > < / a > command< / li >
< li > nve/eff = style name of this fix command< / li >
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< h2 > Examples< / h2 >
< div class = "highlight-default" > < div class = "highlight" > < pre > < span > < / span > < span class = "n" > fix< / span > < span class = "mi" > 1< / span > < span class = "nb" > all< / span > < span class = "n" > nve< / span > < span class = "o" > /< / span > < span class = "n" > eff< / span >
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< h2 > Description< / h2 >
< p > Perform constant NVE integration to update position and velocity for
nuclei and electrons in the group for the < a class = "reference internal" href = "pair_eff.html" > < span class = "doc" > electron force field< / span > < / a > model. V is volume; E is energy. This creates a
system trajectory consistent with the microcanonical ensemble.< / p >
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< p > The operation of this fix is exactly like that described by the < a class = "reference internal" href = "fix_nve.html" > < span class = "doc" > fix nve< / span > < / a > command, except that the radius and radial velocity
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of electrons are also updated.< / p >
< / div >
< div class = "section" id = "restart-fix-modify-output-run-start-stop-minimize-info" >
< h2 > Restart, fix_modify, output, run start/stop, minimize info< / h2 >
< p > No information about this fix is written to < a class = "reference internal" href = "restart.html" > < span class = "doc" > binary restart files< / span > < / a > . None of the < a class = "reference internal" href = "fix_modify.html" > < span class = "doc" > fix_modify< / span > < / a > options
are relevant to this fix. No global or per-atom quantities are stored
by this fix for access by various < a class = "reference internal" href = "Section_howto.html#howto-15" > < span class = "std std-ref" > output commands< / span > < / a > . No parameter of this fix can
be used with the < em > start/stop< / em > keywords of the < a class = "reference internal" href = "run.html" > < span class = "doc" > run< / span > < / a > command.
This fix is not invoked during < a class = "reference internal" href = "minimize.html" > < span class = "doc" > energy minimization< / span > < / a > .< / p >
< / div >
< div class = "section" id = "restrictions" >
< h2 > Restrictions< / h2 >
< p > This fix is part of the USER-EFF package. It is only enabled if
LAMMPS was built with that package. See the < a class = "reference internal" href = "Section_start.html#start-3" > < span class = "std std-ref" > Making LAMMPS< / span > < / a > section for more info.< / p >
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< div class = "section" id = "related-commands" >
< h2 > Related commands< / h2 >
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< p > < a class = "reference internal" href = "fix_nve.html" > < span class = "doc" > fix nve< / span > < / a > , < a class = "reference internal" href = "fix_nh_eff.html" > < span class = "doc" > fix nvt/eff< / span > < / a > , < a class = "reference internal" href = "fix_nh_eff.html" > < span class = "doc" > fix npt/eff< / span > < / a > < / p >
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< p > < strong > Default:< / strong > none< / p >
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