remove references to non-existing pedone/coul/long, complete description

doc/src/pair_pedone.rst

@@ -1,17 +1,11 @@
 .. index:: pair_style pedone
 .. index:: pair_style pedone/omp
-.. index:: pair_style pedone/coul/long
-.. index:: pair_style pedone/coul/long/omp
 
 pair_style pedone command
 =========================
 
 Accelerator Variants: *pedone/omp*
 
-pair_style pedone/coul/long command
-===================================
-
-Accelerator Variants: *pedone/coul/long*
 
 Syntax
 """"""
@@ -20,48 +14,40 @@ Syntax
 
    pair_style style args
 
-* style = pedone* or *pedone/coul/long*
+* style = pedone*
 * args = list of arguments for a particular style
 
 .. parsed-literal::
 
     *pedone* args = cutoff
       cutoff = global cutoff for Pedone interactions (distance units)
-    *pedone/coul/long* args = cutoff (cutoff2)
-      cutoff = global cutoff for Pedone (and Coulombic if only one arg) (distance units)
-      cutoff2 = global cutoff for Coulombic (optional) (distance units)
 
 Examples
 """"""""
 
 .. code-block:: LAMMPS
 
-   pair_style morse 2.5
-   pair_style morse/smooth/linear 2.5
-   pair_coeff * * 100.0 2.0 1.5
-   pair_coeff 1 1 100.0 2.0 1.5 3.0
+pair_style hybrid/overlay pedone 15.0 coul/long 15.0
+kspace_style pppm 1.0e-5
+
+pair_coeff * * coul/long
+pair_coeff 1 2 pedone 0.030211 2.241334 2.923245 5.0
+pair_coeff 2 2 pedone 0.042395 1.379316 3.618701 22.0
+                
 
 Description
 """""""""""
 
-Pair style *pedone* computes the non-Coulomb interactions of the Pedone
-(or PMMCS) potential :ref:`Pedone <Pedone>` which combines Coulomb
-interactions, a Morse potential, and a repulsive :math:`r^{-12}`
-Lennard-Jones term (see below).  The plain *pedone* pair style is meant
+Pair style *pedone* computes the **non-Coulomb** interactions of the Pedone
+(or PMMCS) potential :ref:`(Pedone) <Pedone>` which combines Coulomb
+interactions, Morse potential, and repulsive :math:`r^{-12}`
+Lennard-Jones terms (see below).  The *pedone* pair style is meant
 to be used in addition to a :doc:`Coulomb pair style <pair_coul>` via
-pair style :doc:`hybrid/overlay <pair_hybrid>` and thus allows to be
-combined with different Coulomb variants available in LAMMPS.
+pair style :doc:`hybrid/overlay <pair_hybrid>` (see example above).
+Using *coul/long* or *could/dsf* (for solids) is recommended.
 
-Pair style *pedone/coul/long* includes the Coulomb part with a damping
-function applied so it can be used in conjunction with the
-:doc:`kspace_style <kspace_style>` command and its *ewald* or *pppm*
-option.  The Coulombic cutoff specified for this style means that
-pairwise interactions within this distance are computed directly;
-interactions outside that distance are computed in reciprocal space.
-This combination is the preferred way to compute the Pedone potential
-and should be simpler to use and faster than adding :doc:`pair style
-coul/long <pair_coul>` to pair style *pedone* via :doc:`pair style
-hybrid/overlay <pair_hybrid>`.
+The full Pedone potential function from :ref:`(Pedone) <Pedone>` for each
+pair of atom is:
 
 .. math::
 
@@ -69,14 +55,14 @@ hybrid/overlay <pair_hybrid>`.
        + D_0 \left[ e^{- 2 \alpha (r - r_0)} - 2 e^{- \alpha (r - r_0)} \right]
        + \frac{B_0}{r^{12}} \qquad r < r_c
 
-:math:`r_c` is the cutoff and :math:`C` is a conversion factor so that
-the entire Coulomb term is in energy units.
+:math:`r_c` is the cutoff and :math:`C` is a conversion factor that is
+specific to the choice of :doc:`units <units>` so that the entire
+Coulomb term is in energy units with :math:`q_i` and :math:`q_j` as the
+assigned charges in multiples of the elementary charge.
 
-The following coefficients must be defined for each pair of atoms
-types via the :doc:`pair_coeff <pair_coeff>` command as in the examples
-above, or in the data file or restart files read by the
-:doc:`read_data <read_data>` or :doc:`read_restart <read_restart>`
-commands:
+The following coefficients must be defined for the selected pairs of
+atom types via the :doc:`pair_coeff <pair_coeff>` command as in the
+example above:
 
 * :math:`D_0` (energy units)
 * :math:`\alpha` (1/distance units)
@@ -96,39 +82,38 @@ cutoff is used.
 Mixing, shift, table, tail correction, restart, rRESPA info
 """""""""""""""""""""""""""""""""""""""""""""""""""""""""""
 
-None of these pair styles support mixing.  Thus, coefficients for all
-I,J pairs must be specified explicitly.
+This pair style does not support mixing.
 
-All of these pair styles support the :doc:`pair_modify <pair_modify>`
-shift option for the energy of the pair interaction.
+This pair style support the :doc:`pair_modify <pair_modify>` shift
+option for the energy of the pair interaction.
 
-The :doc:`pair_modify <pair_modify>` table options are only relevant for
-pair style *pedone*
-
-None of these pair styles support the :doc:`pair_modify <pair_modify>`
+This pair style does not support the :doc:`pair_modify <pair_modify>`
 tail option for adding long-range tail corrections to energy and
 pressure.
 
-All of these pair styles write their information to :doc:`binary restart files <restart>`, 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 <restart>`,
+so pair_style and pair_coeff commands does not need to be specified in an input
+script that reads a restart file.
 
-These pair styles can only be used via the *pair* keyword of the
-:doc:`run_style respa <run_style>` command.  They do not support the
-*inner*, *middle*, *outer* keywords.
+This pair style can only be used via the *pair* keyword of the
+:doc:`run_style respa <run_style>` command.  It does not support the
+*inner*, *middle*, or *outer* keywords.
 
 ----------
 
 Restrictions
 """"""""""""
 
-The *morse/smooth/linear* pair style is only enabled if LAMMPS was
-built with the EXTRA-PAIR package.
-See the :doc:`Build package <Build_package>` page for more info.
+The *pedone* pair style is only enabled if LAMMPS was built with the
+EXTRA-PAIR package.  See the :doc:`Build package <Build_package>` page
+for more info.
 
 Related commands
 """"""""""""""""
 
-:doc:`pair_coeff <pair_coeff>`, :doc:`pair_style */soft <pair_fep_soft>`
+:doc:`pair_coeff <pair_coeff>`, :doc:`pair_style <pair_style>`,
+:doc:`pair style coul/long and coul/dsf <pair_coul>`,
+:doc:`pair style morse <pair_morse>`
 
 Default
 """""""