forked from lijiext/lammps
59 lines
1.2 KiB
Plaintext
59 lines
1.2 KiB
Plaintext
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"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,Section_commands.html#comm)
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:line
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improper_style fourier command :h3
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[Syntax:]
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improper_style fourier :pre
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[Examples:]
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improper_style fourier
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improper_coeff 1 100.0 180.0 :pre
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[Description:]
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The {fourier} improper style uses the following potential:
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:c,image(Eqs/improper_fourier.jpg)
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where K is the force constant and omega is the angle between the IL
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axis and the IJK plane:
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:c,image(Eqs/umbrella.jpg)
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If all parameter (see bellow) is not zero, the all the three possible angles will taken in account.
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The following coefficients must be defined for each improper type via
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the "improper_coeff"_improper_coeff.html command as in the example
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above, or in the data file or restart files read by the
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"read_data"_read_data.html or "read_restart"_read_restart.html
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commands:
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K (energy)
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C0 (real)
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C1 (real)
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C2 (real)
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all (integer >= 0) :ul
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:line
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[Restrictions:]
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This angle style can only be used if LAMMPS was built with the
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USER_MISC package. See the "Making LAMMPS"_Section_start.html#start_3
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section for more info on packages.
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[Related commands:]
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"improper_coeff"_improper_coeff.html
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[Default:] none
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