diff --git a/doc/src/pair_ylz.rst b/doc/src/pair_ylz.rst index 3a04101396..3c8a452e84 100644 --- a/doc/src/pair_ylz.rst +++ b/doc/src/pair_ylz.rst @@ -1,13 +1,8 @@ .. index:: pair_style ylz -.. index:: pair_style ylz/gpu -.. index:: pair_style ylz/intel -.. index:: pair_style ylz/omp pair_style ylc command =========================== -Accelerator Variants: *ylz/gpu*, *ylz/intel*, *ylz/omp* - Syntax """""" @@ -30,14 +25,29 @@ Examples Description """"""""""" -The *ylz* (Yuan-Li-Zhang) -:ref:`(Yuan) ` style computes anisotropic interactions between pairs of particles considering the relative particle orientations via the formulas +The *ylz* (Yuan-Li-Zhang) :ref:`(Yuan) ` style computes +anisotropic interactions between pairs of particles considering the +relative particle orientations via the formulas .. math:: U ( \mathbf{r}_{ij}, \mathbf{n}_i, \mathbf{n}_j ) =\left\{\begin{matrix} \mathbf{u}_R(r)+\left [ 1-\phi (\mathbf{r\hat{}}_{ij}, \mathbf{n}_i, \mathbf{n}_j ) \right ]\epsilon, ~~ r<\mathbf{r}_{min} \\ \mathbf{u}_A(r)\phi (\mathbf{r\hat{}}_{ij}, \mathbf{n}_i, \mathbf{n}_j ),~~ \mathbf{r}_{min}`) in order to integrate particle rotation. Additionally, :doc:`atom_style ellipsoid ` should be used since it defines the rotational state of each particle. @@ -53,29 +63,28 @@ The following coefficients must be defined for each pair of atoms types via the The last coefficient is optional. If not specified, the global cutoff specified in the pair_style command is used. - - - - - ----------- - -.. include:: accel_styles.rst - ---------- Mixing, shift, table, tail correction, restart, rRESPA info """"""""""""""""""""""""""""""""""""""""""""""""""""""""""" -For atom type pairs I,J and I != J, the epsilon and sigma coefficients and cutoff distance for this pair style can be mixed. The default mix value is *geometric*\ . See the "pair_modify" command for details. +For atom type pairs I,J and I != J, the epsilon and sigma coefficients +and cutoff distance for this pair style can be mixed. The default mix +value is *geometric*\ . See the "pair_modify" command for details. -The :doc:`pair_modify ` table option is not relevant for this pair style. +The :doc:`pair_modify ` table option is not relevant for +this pair style. -This pair style does not support the :doc:`pair_modify ` tail option for adding long-range tail corrections to energy and pressure. +This pair style does not support the :doc:`pair_modify ` +tail option for adding long-range tail corrections to energy and +pressure. -This pair style writes its information to :doc:`binary restart files `, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. +This pair style writes its information to :doc:`binary restart files +`, so pair_style and pair_coeff commands do not need to be +specified in an input script that reads a restart file. -This pair style can only be used via the *pair* keyword of the :doc:`run_style respa ` command. It does not support the +This pair style can only be used via the *pair* keyword of the +:doc:`run_style respa ` command. It does not support the *inner*, *middle*, *outer* keywords. ---------- @@ -83,24 +92,26 @@ This pair style can only be used via the *pair* keyword of the :doc:`run_style r Restrictions """""""""""" -The *ylz* style is part of the ASPHERE package. It is only enabled if LAMMPS was built with that package. See the :doc:`Build package ` page for more info. +The *ylz* style is part of the ASPHERE package. It is only enabled if +LAMMPS was built with that package. See the :doc:`Build package +` page for more info. -These pair styles require that atoms store torque and a quaternion to represent their orientation, as defined by the :doc:`atom_style `. It also require they store a per-type :doc:`shape `. The particles cannot store a per-particle diameter. +This pair style requires that atoms store torque and a quaternion to +represent their orientation, as defined by the :doc:`atom_style +`. It also requires they store a per-atom :doc:`shape +`. The particles cannot store a per-particle diameter. -This pair style requires that atoms be ellipsoids as defined by the -:doc:`atom_style ellipsoid ` command. - -Particles acted on by the potential can be finite-size aspherical or -spherical particles, or point particles. Spherical particles have all -3 of their shape parameters equal to each other. Point particles have -all 3 of their shape parameters equal to 0.0. +This pair style requires that **all** atoms are ellipsoids as defined by +the :doc:`atom_style ellipsoid ` command. Related commands """""""""""""""" -:doc:`pair_coeff `, :doc:`fix nve/asphere `, -:doc:`compute temp/asphere `, :doc:`pair_style resquared `, :doc:`pair_style gayberne ` +:doc:`pair_coeff `, :doc:`fix nve/asphere +:doc:`, `compute temp/asphere `, +:doc::doc:`pair_style resquared `, :doc:`pair_style +:doc:gayberne ` Default """""""