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< title > fix spring/self command — LAMMPS documentation< / title >
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< li class = "toctree-l1" > < a class = "reference internal" href = "Section_intro.html" > 1. Introduction< / a > < / li >
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< li > fix spring/self command< / li >
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< a href = "http://lammps.sandia.gov" > Website< / a >
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< span id = "index-0" > < / span > < h1 > fix spring/self command< a class = "headerlink" href = "#fix-spring-self-command" title = "Permalink to this headline" > ¶< / a > < / h1 >
< div class = "section" id = "syntax" >
< h2 > Syntax< a class = "headerlink" href = "#syntax" title = "Permalink to this headline" > ¶< / a > < / h2 >
< div class = "highlight-python" > < div class = "highlight" > < pre > fix ID group-ID spring/self K dir
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< li > ID, group-ID are documented in < a class = "reference internal" href = "fix.html" > < em > fix< / em > < / a > command< / li >
< li > spring/self = style name of this fix command< / li >
< li > K = spring constant (force/distance units)< / li >
< li > dir = xyz, xy, xz, yz, x, y, or z (optional, default: xyz)< / li >
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< h2 > Examples< a class = "headerlink" href = "#examples" title = "Permalink to this headline" > ¶< / a > < / h2 >
< div class = "highlight-python" > < div class = "highlight" > < pre > fix tether boundary-atoms spring/self 10.0
fix zrest move spring/self 10.0 z
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< div class = "section" id = "description" >
< h2 > Description< a class = "headerlink" href = "#description" title = "Permalink to this headline" > ¶< / a > < / h2 >
< p > Apply a spring force independently to each atom in the group to tether
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it to its initial position. The initial position for each atom is its
location at the time the fix command was issued. At each timestep,
the magnitude of the force on each atom is -Kr, where r is the
displacement of the atom from its current position to its initial
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position. The distance r correctly takes into account any crossings
of periodic boundary by the atom since it was in its intitial
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position.< / p >
< p > With the (optional) dir flag, one can select in which direction the
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spring force is applied. By default, the restraint is applied in all
directions, but it can be limited to the xy-, xz-, yz-plane and the
x-, y-, or z-direction, thus restraining the atoms to a line or a
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plane, respectively.< / p >
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< div class = "section" id = "restart-fix-modify-output-run-start-stop-minimize-info" >
< h2 > Restart, fix_modify, output, run start/stop, minimize info< a class = "headerlink" href = "#restart-fix-modify-output-run-start-stop-minimize-info" title = "Permalink to this headline" > ¶< / a > < / h2 >
< p > This fix writes the original coordinates of tethered atoms to < a class = "reference internal" href = "restart.html" > < em > binary restart files< / em > < / a > , so that the spring effect will be the
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same in a restarted simulation. See the
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< a class = "reference internal" href = "read_restart.html" > < em > read_restart< / em > < / a > command for info on how to re-specify
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a fix in an input script that reads a restart file, so that the
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operation of the fix continues in an uninterrupted fashion.< / p >
< p > The < a class = "reference internal" href = "fix_modify.html" > < em > fix_modify< / em > < / a > < em > energy< / em > option is supported by this
fix to add the energy stored in the per-atom springs to the system’ s
potential energy as part of < a class = "reference internal" href = "thermo_style.html" > < em > thermodynamic output< / em > < / a > .< / p >
< p > This fix computes a global scalar which can be accessed by various
< a class = "reference internal" href = "Section_howto.html#howto-15" > < span > output commands< / span > < / a > . The scalar is an
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energy which is the sum of the spring energy for each atom, where the
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per-atom energy is 0.5 * K * r^2. The scalar value calculated by this
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fix is “ extensive” .< / p >
< p > No parameter of this fix can be used with the < em > start/stop< / em > keywords of
the < a class = "reference internal" href = "run.html" > < em > run< / em > < / a > command.< / p >
< p > The forces due to this fix are imposed during an energy minimization,
invoked by the < a class = "reference internal" href = "minimize.html" > < em > minimize< / em > < / a > command.< / p >
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< div class = "admonition note" >
< p class = "first admonition-title" > Note< / p >
< p class = "last" > If you want the per-atom spring energy to be included in the
total potential energy of the system (the quantity being minimized),
you MUST enable the < a class = "reference internal" href = "fix_modify.html" > < em > fix_modify< / em > < / a > < em > energy< / em > option for
this fix.< / p >
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< / div >
< / div >
< div class = "section" id = "restrictions" >
< h2 > Restrictions< a class = "headerlink" href = "#restrictions" title = "Permalink to this headline" > ¶< / a > < / h2 >
< blockquote >
< div > none< / div > < / blockquote >
< / div >
< div class = "section" id = "related-commands" >
< h2 > Related commands< a class = "headerlink" href = "#related-commands" title = "Permalink to this headline" > ¶< / a > < / h2 >
< p > < a class = "reference internal" href = "fix_drag.html" > < em > fix drag< / em > < / a > , < a class = "reference internal" href = "fix_spring.html" > < em > fix spring< / em > < / a > ,
< a class = "reference internal" href = "fix_smd.html" > < em > fix smd< / em > < / a > , < a class = "reference internal" href = "fix_spring_rg.html" > < em > fix spring/rg< / em > < / a > < / p >
< p > < strong > Default:< / strong > none< / p >
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