# improper_style hybrid command ## Syntax ``` LAMMPS improper_style hybrid style1 style2 ... ``` - style1,style2 = list of one or more improper styles ## Examples ``` LAMMPS improper_style hybrid harmonic cvff improper_coeff 1 harmonic 120.0 30 improper_coeff 2 cvff 20.0 -1 2 ``` ## Description The *hybrid* style enables the use of multiple improper styles in one simulation. An improper style is assigned to each improper type. For example, impropers in a polymer flow (of improper type 1) could be computed with a *harmonic* potential and impropers in the wall boundary (of improper type 2) could be computed with a *cvff* potential. The assignment of improper type to style is made via the [improper_coeff](improper_coeff) command or in the data file. In the improper_coeff command, the first coefficient sets the improper style and the remaining coefficients are those appropriate to that style. In the example above, the 2 improper_coeff commands would set impropers of improper type 1 to be computed with a *harmonic* potential with coefficients 120.0, 30 for $K$, $\chi_0$. Improper type 2 would be computed with a *cvff* potential with coefficients 20.0, -1, 2 for K, d, and n, respectively. If improper coefficients are specified in the data file read via the [read_data](read_data) command, then the same rule applies. E.g. \"harmonic\" or \"cvff\", must be added after the improper type, for each line in the \"Improper Coeffs\" section, e.g. Improper Coeffs 1 harmonic 120.0 30 2 cvff 20.0 -1 2 ... If *class2* is one of the improper hybrid styles, the same rule holds for specifying additional AngleAngle coefficients either via the input script or in the data file. I.e. *class2* must be added to each line after the improper type. For lines in the AngleAngle Coeffs section of the data file for dihedral types that are not *class2*, you must use an improper style of *skip* as a placeholder, e.g. AngleAngle Coeffs 1 skip 2 class2 0.0 0.0 0.0 115.06 130.01 115.06 ... Note that it is not necessary to use the improper style *skip* in the input script, since AngleAngle coefficients need not be specified at all for improper types that are not *class2*. An improper style of *none* can be specified as the second argument to the improper_coeff command, if you desire to turn off certain improper types. ------------------------------------------------------------------------ ## Restrictions This improper style can only be used if LAMMPS was built with the MOLECULE package. See the [Build package](Build_package) doc page for more info. Unlike other improper styles, the hybrid improper style does not store improper coefficient info for individual sub-styles in a [binary restart files](restart). Thus when restarting a simulation from a restart file, you need to re-specify improper_coeff commands. ## Related commands [improper_coeff](improper_coeff) ## Default none