Remove pair.slj

src/PairPotentials.h

@@ -33,7 +33,6 @@
 #include "PairEvaluatorAshbaugh.h"
 #include "PairEvaluatorColloid.h"
 #include "PairEvaluatorHertz.h"
-#include "PairEvaluatorShiftedLJ.h"
 #include "PairEvaluatorSpline.h"
 
 /*

src/module.cc

@@ -192,7 +192,6 @@ PYBIND11_MODULE(_azplugins, m)
     azplugins::detail::export_ashbaugh_params(m);
     azplugins::detail::export_pair_potential<azplugins::detail::PairEvaluatorColloid>(m, "PairPotentialColloid");
     azplugins::detail::export_pair_potential<azplugins::detail::PairEvaluatorHertz>(m, "PairPotentialHertz");
-    azplugins::detail::export_pair_potential<azplugins::detail::PairEvaluatorShiftedLJ>(m, "PairPotentialShiftedLJ");
     azplugins::detail::export_pair_potential<azplugins::detail::PairEvaluatorSpline>(m, "PairPotentialSpline");
 
     /* Anisotropic pair potentials */

src/pair.py

@@ -11,14 +11,12 @@
     ashbaugh
     colloid
     hertz
-    slj
     spline
     two_patch_morse
 
 .. autoclass:: ashbaugh
 .. autoclass:: colloid
 .. autoclass:: hertz
-.. autoclass:: slj
 .. autoclass:: spline
 .. autoclass:: two_patch_morse
 
@@ -279,97 +277,6 @@ def __init__(self, r_cut, nlist, name=None):
     def process_coeff(self, coeff):
         return coeff['epsilon']
 
-class slj(hoomd.md.pair.pair):
-    R""" Core-shifted Lennard-Jones potential
-
-    Args:
-        r_cut (float): Default cutoff radius (in distance units).
-        nlist (:py:mod:`hoomd.md.nlist`): Neighbor list
-        name (str): Name of the force instance.
-
-    :py:class:`slj` is Lennard-Jones potential with the core (minimum) shifted by
-    an amount :math:`\Delta`. The form of the potential is similar to the standard
-    Lennard-Jones potential
-
-    .. math::
-        :nowrap:
-
-        \begin{eqnarray*}
-        V(r)  = & 4 \varepsilon \left[ \left(\frac{\sigma}{r-\Delta} \right)^12
-                  - \alpha \left(\frac{\sigma}{r-\Delta} \right)^6 \right] & r < r_{\rm cut} \\
-              = & 0 & r \ge r_{\rm cut}
-        \end{eqnarray*}
-
-    Here, :math:`\varepsilon`, :math:`\sigma`, and :math:`\alpha` are the stanard
-    Lennard-Jones potential parameters, and :math:`\Delta` is the amount the potential
-    is shifted by. The minimum of the potential :math:`r_{\rm min}` is shifted to
-
-    .. math::
-
-        r_{\rm min} = 2^{1/6} \sigma + \Delta
-
-    Setting :math:`\Delta = 0` recovers the standard Lennard-Jones potential.
-    See :py:class:`hoomd.md.pair.pair` for details on how forces are calculated
-    and the available energy shifting and smoothing modes.
-    Use :py:meth:`pair_coeff.set <coeff.set>` to set potential coefficients.
-
-    The following coefficients must be set per unique pair of particle types:
-
-    - :math:`\varepsilon` - *epsilon* (in energy units)
-    - :math:`\sigma` - *sigma* (in distance units)
-    - :math:`\Delta` - *delta* (in distance units)
-    - :math:`\alpha` - *alpha* (unitless) - *optional*: defaults to 1.0
-    - :math:`r_{\mathrm{cut}}` - *r_cut* (in distance units)
-      - *optional*: defaults to the global r_cut specified in the pair command
-    - :math:`r_{\mathrm{on}}`- *r_on* (in distance units)
-      - *optional*: defaults to the global r_cut specified in the pair command
-
-    Example::
-
-        nl = hoomd.md.nlist.cell()
-        slj = azplugins.pair.slj(r_cut=3.0, nlist=nl)
-        slj.pair_coeff.set('A', 'A', epsilon=1.0, sigma=1.0, delta=1.0)
-        slj.pair_coeff.set(['A','B'], 'B', epsilon=2.0, sigma=1.0, alpha=0.5, delta=0.0, r_cut=3.0, r_on=2.0)
-
-    .. note::
-        Because of the form of the potential, square-root calls are necessary
-        to evaluate the potential and also to perform energy shifting. This will
-        incur a corresponding performance hit compared to the standard
-        Lennard-Jones potential even when :math:`\Delta=0`.
-
-    """
-    def __init__(self, r_cut, nlist, name=None):
-        hoomd.util.print_status_line()
-
-        # initialize the base class
-        hoomd.md.pair.pair.__init__(self, r_cut, nlist, name)
-
-        # create the c++ mirror class
-        if not hoomd.context.exec_conf.isCUDAEnabled():
-            self.cpp_class = _azplugins.PairPotentialShiftedLJ
-        else:
-            self.cpp_class = _azplugins.PairPotentialShiftedLJGPU
-            self.nlist.cpp_nlist.setStorageMode(_md.NeighborList.storageMode.full)
-        self.cpp_force = self.cpp_class(hoomd.context.current.system_definition, self.nlist.cpp_nlist, self.name)
-
-        hoomd.context.current.system.addCompute(self.cpp_force, self.force_name)
-
-        # setup the coefficent options
-        self.required_coeffs = ['epsilon', 'sigma', 'delta', 'alpha']
-        self.pair_coeff.set_default_coeff('alpha', 1.0)
-
-    def process_coeff(self, coeff):
-        epsilon = coeff['epsilon']
-        sigma = coeff['sigma']
-        delta = coeff['delta']
-        alpha = coeff['alpha']
-
-        lj1 = 4.0 * epsilon * math.pow(sigma, 12.0)
-        lj2 = alpha * 4.0 * epsilon * math.pow(sigma, 6.0)
-        return _hoomd.make_scalar3(lj1, lj2, delta)
-
-
-
 class spline(hoomd.md.pair.pair):
     R""" Spline potential