forked from lijiext/lammps
68 lines
2.4 KiB
Plaintext
68 lines
2.4 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,Section_commands.html#comm)
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:line
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angle_style hybrid command :h3
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[Syntax:]
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angle_style hybrid style1 style2 ... :pre
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style1,style2 = list of one or more angle styles :ul
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[Examples:]
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angle_style hybrid harmonic cosine
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angle_coeff 1 harmonic 80.0 1.2
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angle_coeff 2* cosine 50.0 :pre
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[Description:]
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The {hybrid} style enables the use of multiple angle styles in one
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simulation. An angle style is assigned to each angle type. For
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example, angles in a polymer flow (of angle type 1) could be computed
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with a {harmonic} potential and angles in the wall boundary (of angle
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type 2) could be computed with a {cosine} potential. The assignment
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of angle type to style is made via the "angle_coeff"_angle_coeff.html
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command or in the data file.
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In the angle_coeff command, the first coefficient sets the angle style
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and the remaining coefficients are those appropriate to that style.
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In the example above, the 2 angle_coeff commands would set angles of
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angle type 1 to be computed with a {harmonic} potential with
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coefficients 80.0, 1.2 for K, r0. All other angle types (2-N) would
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be computed with a {cosine} potential with coefficient 50.0 for K.
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If the angle {class2} potential is one of the hybrid styles, it
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requires additional BondBond and BondAngle coefficients be specified
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in the data file. These lines must also have an additional "class2"
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argument added after the angle type. For angle types which are
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assigned to other hybrid styles, use the style name (e.g. "harmonic")
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appropriate to that style. The BondBond and BondAngle coeffs for that
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angle type will then be ignored.
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An angle style of {none} can be specified as an argument to
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angle_style hybrid and the corresponding angle_coeff commands, if you
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desire to turn off certain angle types.
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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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"molecular" package (which it is by default). See the "Making
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LAMMPS"_Section_start.html#2_3 section for more info on packages.
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Unlike other angle styles, the hybrid angle style does not store angle
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coefficient info for individual sub-styles in a "binary restart
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files"_restart.html. Thus when retarting a simulation from a restart
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file, you need to re-specify angle_coeff commands.
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[Related commands:]
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"angle_coeff"_angle_coeff.html
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[Default:] none
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