forked from lijiext/lammps
57 lines
1.4 KiB
Plaintext
57 lines
1.4 KiB
Plaintext
"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
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:link(lws,http://lammps.sandia.gov)
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:link(ld,Manual.html)
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:link(lc,Commands_all.html)
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:line
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fix rhok command :h3
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fix ID group-ID rhok nx ny nz K a :pre
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ID, group-ID are documented in "fix"_fix.html command
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nx, ny, nz = k-vector of collective density field
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K = spring constant of bias potential
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a = anchor point of bias potential :ul
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[Examples:]
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fix bias all rhok 16 0 0 4.0 16.0
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fix 1 all npt temp 0.8 0.8 4.0 z 2.2 2.2 8.0
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# output of 4 values from fix rhok: U_bias rho_k_RE rho_k_IM |rho_k|
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thermo_style custom step temp pzz lz f_bias f_bias\[1\] f_bias\[2\] f_bias\[3\] :pre
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[Description:]
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The fix applies a force to atoms given by the potential
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:c,image(Eqs/fix_rhok.jpg)
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as described in "(Pedersen)"_#Pedersen.
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This field, which biases configurations with long-range order, can be
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used to study crystal-liquid interfaces and determine melting
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temperatures "(Pedersen)"_#Pedersen.
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An example of using the interface pinning method is located in the
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{examples/USER/misc/rhok} directory.
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[Restrictions:]
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This fix is part of the USER-MISC package. It is only enabled if
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LAMMPS was built with that package. See the "Build
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package"_Build_package.html doc page for more info.
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[Related commands:]
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"thermo_style"_thermo_style.html
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[Default:] none
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:line
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:link(Pedersen)
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[(Pedersen)] Pedersen, J. Chem. Phys., 139, 104102 (2013).
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