diff --git a/doc/src/atom_style.rst b/doc/src/atom_style.rst index 60a85e0bcb..f11cdf54b9 100644 --- a/doc/src/atom_style.rst +++ b/doc/src/atom_style.rst @@ -283,21 +283,22 @@ Note that there may be additional arguments required along with the arguments are described on the :doc:`Howto body ` doc page. For the *dielectric* style, each particle can be either a physical -particle (e.g. an ion), or an interface particle representing a boundary -element between two regions of different dielectric constant. For -interface particles, in addition to the properties associated with -atom_style full, each particle also should be assigned a normal unit -vector (defined by normx, normy, normz), an area (area/patch), the +particle (e.g. an ion), or an interface particle representing a +boundary element between two regions of different dielectric +constant. For interface particles, in addition to the properties +associated with atom_style full, each particle also should be assigned +a unit dipole vector (mu) representing the direction of the induced +dipole moment at each interface particle, an area (area/patch), the difference and mean of the dielectric constants of two sides of the interface along the direction of the normal vector (ed and em), the -local dielectric constant at the boundary element (epsilon), and a mean -local curvature (curv). Physical particles must be assigned these -values, as well, but only their local dielectric constants will be used; -see documentation for associated :doc:`pair styles ` -and :doc:`fixes `. The distinction between the physical -and interface particles is only meaningful when :doc:`fix polarize -` commands are applied to the interface particles. This -style is part of the DIELECTRIC package. +local dielectric constant at the boundary element (epsilon), and a +mean local curvature (curv). Physical particles must be assigned +these values, as well, but only their local dielectric constants will +be used; see documentation for associated :doc:`pair styles +` and :doc:`fixes `. The distinction +between the physical and interface particles is only meaningful when +:doc:`fix polarize ` commands are applied to the +interface particles. This style is part of the DIELECTRIC package. For the *dipole* style, a point dipole vector mu is defined for each point particle. Note that if you wish the particles to be finite-size diff --git a/doc/src/read_data.rst b/doc/src/read_data.rst index 8dce9a5bcd..dd2f42e2a8 100644 --- a/doc/src/read_data.rst +++ b/doc/src/read_data.rst @@ -838,7 +838,7 @@ of analysis. * - charge - atom-ID atom-type q x y z * - dielectric - - atom-ID atom-type q x y z normx normy normz area ed em epsilon curvature + - atom-ID atom-type q x y z mux muy muz area ed em epsilon curvature * - dipole - atom-ID atom-type q x y z mux muy muz * - dpd @@ -901,8 +901,6 @@ The per-atom values have these meanings and units, listed alphabetically: * mass = mass of particle (mass units) * molecule-ID = integer ID of molecule the atom belongs to * mux,muy,muz = components of dipole moment of atom (dipole units) (see general triclinic note below) -* normx,normy,normz = components of dielectric dipole moment of atom (dipole - units) (see general triclinic note below) * q = charge on atom (charge units) * rho = density (need units) for SPH particles * sp = magnitude of magnetic spin of atom (Bohr magnetons) @@ -928,17 +926,16 @@ zero. If the data file defines a general triclinic box, then the following per-atom values in the list above are per-atom vectors - which imply an orientation: (mux,muy,muz), (normx,normy,normz), - (spx,spy,spz). This means they should be specified consistent with - the general triclinic box and its orientation relative to the - standard x,y,z coordinate axes. For example a dipole moment vector - which will be in the +x direction once LAMMPS converts from a - general to restricted triclinic box, should be specified in the - data file in the direction of the **A** edge vector. Likewise the - (x0,y0,z0) per-atom strain-free coordinates should be inside the - general triclinic simulation box as explained in the note above. - See the :doc:`Howto triclinic ` doc page for more - details. + which imply an orientation: (mux,muy,muz) and (spx,spy,spz). This + means they should be specified consistent with the general + triclinic box and its orientation relative to the standard x,y,z + coordinate axes. For example a dipole moment vector which will be + in the +x direction once LAMMPS converts from a general to + restricted triclinic box, should be specified in the data file in + the direction of the **A** edge vector. Likewise the (x0,y0,z0) + per-atom strain-free coordinates should be inside the general + triclinic simulation box as explained in the note above. See the + :doc:`Howto triclinic ` doc page for more details. The atom-ID is used to identify the atom throughout the simulation and in dump files. Normally, it is a unique value from 1 to Natoms for