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< title > angle_style hybrid 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 > angle_style hybrid command< / li >
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< span id = "index-0" > < / span > < h1 > angle_style hybrid command< a class = "headerlink" href = "#angle-style-hybrid-command" title = "Permalink to this headline" > ¶< / a > < / h1 >
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< h2 > Syntax< a class = "headerlink" href = "#syntax" title = "Permalink to this headline" > ¶< / a > < / h2 >
< div class = "highlight-python" > < div class = "highlight" > < pre > angle_style hybrid style1 style2 ...
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< li > style1,style2 = list of one or more angle styles< / 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 > angle_style hybrid harmonic cosine
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angle_coeff 1 harmonic 80.0 30.0
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angle_coeff 2* cosine 50.0
< / pre > < / div >
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< div class = "section" id = "description" >
< h2 > Description< a class = "headerlink" href = "#description" title = "Permalink to this headline" > ¶< / a > < / h2 >
< p > The < em > hybrid< / em > 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
example, angles in a polymer flow (of angle type 1) could be computed
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with a < em > harmonic< / em > potential and angles in the wall boundary (of angle
type 2) could be computed with a < em > cosine< / em > potential. The assignment
of angle type to style is made via the < a class = "reference internal" href = "angle_coeff.html" > < em > angle_coeff< / em > < / a >
command or in the data file.< / p >
< p > In the angle_coeff commands, the name of an angle style must be added
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after the angle type, with the remaining coefficients being those
appropriate to that style. In the example above, the 2 angle_coeff
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commands set angles of angle type 1 to be computed with a < em > harmonic< / em >
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potential with coefficients 80.0, 30.0 for K, theta0. All other angle
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types (2-N) are computed with a < em > cosine< / em > potential with coefficient
50.0 for K.< / p >
< p > If angle coefficients are specified in the data file read via the
< a class = "reference internal" href = "read_data.html" > < em > read_data< / em > < / a > command, then the same rule applies.
E.g. “ harmonic” or “ cosine” , must be added after the angle type, for each
line in the “ Angle Coeffs” section, e.g.< / p >
< div class = "highlight-python" > < div class = "highlight" > < pre > Angle Coeffs
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< / div >
< div class = "highlight-python" > < div class = "highlight" > < pre > 1 harmonic 80.0 30.0
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2 cosine 50.0
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...
< / pre > < / div >
< / div >
< p > If < em > class2< / em > is one of the angle hybrid styles, the same rule holds for
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specifying additional BondBond (and BondAngle) coefficients either via
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the input script or in the data file. I.e. < em > class2< / em > must be added to
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each line after the angle type. For lines in the BondBond (or
BondAngle) section of the data file for angle types that are not
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< em > class2< / em > , you must use an angle style of < em > skip< / em > as a placeholder, e.g.< / p >
< div class = "highlight-python" > < div class = "highlight" > < pre > BondBond Coeffs
< / pre > < / div >
< / div >
< div class = "highlight-python" > < div class = "highlight" > < pre > 1 skip
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2 class2 3.6512 1.0119 1.0119
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...
< / pre > < / div >
< / div >
< p > Note that it is not necessary to use the angle style < em > skip< / em > in the
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input script, since BondBond (or BondAngle) coefficients need not be
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specified at all for angle types that are not < em > class2< / em > .< / p >
< p > An angle style of < em > none< / em > with no additional coefficients can be used
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in place of an angle style, either in a input script angle_coeff
command or in the data file, if you desire to turn off interactions
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for specific angle types.< / p >
< / div >
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< div class = "section" id = "restrictions" >
< h2 > Restrictions< a class = "headerlink" href = "#restrictions" title = "Permalink to this headline" > ¶< / a > < / h2 >
< p > This angle style can only be used if LAMMPS was built with the
MOLECULE package (which it is by default). See the < a class = "reference internal" href = "Section_start.html#start-3" > < span > Making LAMMPS< / span > < / a > section for more info on packages.< / p >
< p > Unlike other angle styles, the hybrid angle style does not store angle
coefficient info for individual sub-styles in a < a class = "reference internal" href = "restart.html" > < em > binary restart files< / em > < / a > . Thus when retarting a simulation from a restart
file, you need to re-specify angle_coeff commands.< / p >
< / 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 = "angle_coeff.html" > < em > angle_coeff< / em > < / a > < / p >
< p > < strong > Default:< / strong > none< / p >
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