fully integrate pair style coul/tt into manual

doc/src/Commands_pair.rst

@@ -81,6 +81,7 @@ OPT.
    * :doc:`coul/slater/long <pair_coul_slater>`
    * :doc:`coul/shield <pair_coul_shield>`
    * :doc:`coul/streitz <pair_coul>`
+   * :doc:`coul/tt <pair_coul_tt>`
    * :doc:`coul/wolf (ko) <pair_coul>`
    * :doc:`coul/wolf/cs <pair_cs>`
    * :doc:`dpd (gio) <pair_dpd>`

doc/src/pair_coul_tt.rst

@@ -10,7 +10,7 @@ Syntax
 
    pair_style style args
 
-* style = *coul/tt* 
+* style = *coul/tt*
 * args = list of arguments for a particular style
 
 .. parsed-literal::
@@ -33,40 +33,40 @@ Examples
 Description
 """""""""""
 
-The *coul/tt* pair styles are meant to be used with force fields that
+The *coul/tt* pair style is meant to be used with force fields that
 include explicit polarization through Drude dipoles.
 
 The *coul/tt* pair style should be used as a sub-style within in the
 :doc:`pair_style hybrid/overlay <pair_hybrid>` command, in conjunction with a
-main pair style including Coulomb interactions and *thole* pair style, 
-or with *lj/cut/thole/long* pair style that is equivalent to the combination 
+main pair style including Coulomb interactions and *thole* pair style,
+or with *lj/cut/thole/long* pair style that is equivalent to the combination
 of preceding two.
 
-The *coul/tt* pair styles compute the charge-dipole Coulomb interaction damped 
+The *coul/tt* pair styles compute the charge-dipole Coulomb interaction damped
 at short distances by a function
 
 .. math::
 
   f_{n,ij}(r) = 1 - c_{ij} \cdot e^{-b_{ij} r} \sum_{k=0}^n \frac{(b_{ij} r)^k}{k!}
 
-This function results from an adaptation to the Coulomb interaction :ref:`(Salanne) 
+This function results from an adaptation to the Coulomb interaction :ref:`(Salanne)
 <Salanne1>` of the damping function originally proposed
 by :ref:`Tang Toennies <TangToennies1>` for van der Waals interactions.
 
 The polynomial takes the degree 4 for damping the Coulomb interaction.
-The parameters :math:`b_{ij}` and :math:`c_{ij}` could be determined from 
-first-principle calculations for small, mainly mono-atomic, ions :ref:`(Salanne) 
+The parameters :math:`b_{ij}` and :math:`c_{ij}` could be determined from
+first-principle calculations for small, mainly mono-atomic, ions :ref:`(Salanne)
 <Salanne1>`, or else treated as empirical for large molecules.
 
-In pair styles with Drude induced dipoles, this damping function is typically 
-applied to the interactions between a Drude charge (either :math:`q_{D,i}` on 
-a Drude particle or :math:`-q_{D,i}` on the respective 
-Drude core)) and a charge on a non-polarizable atom, :math:`q_{j}`. 
+In pair styles with Drude induced dipoles, this damping function is typically
+applied to the interactions between a Drude charge (either :math:`q_{D,i}` on
+a Drude particle or :math:`-q_{D,i}` on the respective
+Drude core)) and a charge on a non-polarizable atom, :math:`q_{j}`.
 
-The Tang-Toennies function could also be used to damp electrostatic 
-interactions between the (non-polarizable part of the) charge of a core, 
-:math:`q_{i}-q_{D,i}`, and the Drude charge of another, :math:`-q_{D,j}`. 
-The :math:`b_{ij}` and :math:`c_{ij}` are equal  to :math:`b_{ji}` and 
+The Tang-Toennies function could also be used to damp electrostatic
+interactions between the (non-polarizable part of the) charge of a core,
+:math:`q_{i}-q_{D,i}`, and the Drude charge of another, :math:`-q_{D,j}`.
+The :math:`b_{ij}` and :math:`c_{ij}` are equal  to :math:`b_{ji}` and
 :math:`c_{ji}` in the case of core-core interactions.
 
 For pair_style *coul/tt*\ , the following coefficients must be defined for
@@ -78,9 +78,9 @@ as in the example above.
 * degree of polynomial (positive integer)
 * cutoff (distance units)
 
-The last two coefficients are optional.  If not specified the global 
+The last two coefficients are optional.  If not specified the global
 degree of the polynomial or the global cutoff specified in the pair_style
-command are used. In order to specify a cutoff (forth argument), the degree of 
+command are used. In order to specify a cutoff (forth argument), the degree of
 the polynomial (third argument) must also be specified.
 
 ----------
@@ -95,10 +95,10 @@ Restrictions
 """"""""""""
 
 These pair styles are part of the USER-DRUDE package. They are only
-enabled if LAMMPS was built with that package. See the :doc:`Build package 
+enabled if LAMMPS was built with that package. See the :doc:`Build package
 <Build_package>` doc page for more info.
 
-This pair_style should currently not be used with the :doc:`charmm dihedral 
+This pair_style should currently not be used with the :doc:`charmm dihedral
 style <dihedral_charmm>` if the latter has non-zero 1-4 weighting
 factors. This is because the *coul/tt* pair style does not know which
 pairs are 1-4 partners of which dihedrals.
@@ -106,8 +106,8 @@ pairs are 1-4 partners of which dihedrals.
 Related commands
 """"""""""""""""
 
-:doc:`fix drude <fix_drude>`, :doc:`fix langevin/drude <fix_langevin_drude>`, 
-:doc:`fix drude/transform <fix_drude_transform>`, 
+:doc:`fix drude <fix_drude>`, :doc:`fix langevin/drude <fix_langevin_drude>`,
+:doc:`fix drude/transform <fix_drude_transform>`,
 :doc:`compute temp/drude <compute_temp_drude>`,
 :doc:`pair_style thole <pair_thole>`
 

doc/src/pair_style.rst

@@ -144,6 +144,7 @@ accelerated styles exist.
 * :doc:`coul/slater/long <pair_coul>` - long-range smeared out Coulomb
 * :doc:`coul/shield <pair_coul_shield>` - Coulomb for boron nitride for use with :doc:`ilp/graphene/hbn <pair_ilp_graphene_hbn>` potential
 * :doc:`coul/streitz <pair_coul>` - Coulomb via Streitz/Mintmire Slater orbitals
+* :doc:`coul/tt <pair_coul_tt>` - damped charge-dipole Coulomb for Drude dipoles
 * :doc:`coul/wolf <pair_coul>` - Coulomb via Wolf potential
 * :doc:`coul/wolf/cs <pair_cs>` - Coulomb via Wolf potential with core/shell adjustments
 * :doc:`dpd <pair_dpd>` - dissipative particle dynamics (DPD)