forked from lijiext/lammps
54 lines
1.1 KiB
Plaintext
54 lines
1.1 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,Section_commands.html#comm)
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:line
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dihedral_style fourier command :h3
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[Syntax:]
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dihedral_style fourier :pre
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[Examples:]
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dihedral_style fourier
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dihedral_coeff 3 -0.846200 3 0.0 7.578800 1 0 0.138000 2 -180.0 :pre
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[Description:]
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The {fourier} dihedral style uses the potential:
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:c,image(Eqs/dihedral_fourier.jpg)
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The following coefficients must be defined for each dihedral type via the
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"dihedral_coeff"_dihedral_coeff.html command as in the example above, or in
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the data file or restart files read by the "read_data"_read_data.html
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or "read_restart"_read_restart.html commands:
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m (integer >=1)
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K1 (energy)
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n1 (integer >= 0)
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d1 (degrees)
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....
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Km (energy)
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nm (integer >= 0)
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dm (degrees) :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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"dihedral_coeff"_dihedral_coeff.html
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[Default:] none
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