Remove dead code and ignore build products

.gitignore

@@ -1 +1,31 @@
+# Build trees
+build/
+build*/
+objdir/
+install/
+_deps/
+CMakeCache.txt
+CMakeFiles/
+cmake_install.cmake
+CTestTestfile.cmake
+Makefile
+compile_commands.json
+
+# Build products
+*.o
+*.a
+*.so
+*.dylib
+*.dll
+*.lib
+*.exe
+a.out
+*.x
+
+# Editor and OS cruft
+*~
+\#*\#
+.\#*
+*.swp
 *.*.swp
+.DS_Store

include/integratorxx/quadratures/radial/muraknowles.hpp

@@ -6,135 +6,6 @@
 
 namespace IntegratorXX {
 
-#if 0
-/**
- *  @brief Implementation of the Mura-Knowles radial quadrature.
- *
- *  Generates a quadrature on the bounds (0, inf). Suitable for integrands
- *  which tend to zero as their argument tends to 0 and inf. Tailored for
- *  radial integrands, i.e. r^2 * f(r), with lim_{r->inf} f(r) = 0.
- *
- *  Reference:
- *  J. Chem. Phys. 104, 9848 (1996); 
- *  DOI: https://doi.org/10.1063/1.471749
- *
- *  @tparam PointType  Type describing the quadrature points  
- *  @tparam WeightType Type describing the quadrature weights 
- */
-
-template <typename PointType, typename WeightType>
-class MuraKnowles : 
-  public Quadrature<MuraKnowles<PointType,WeightType>> {
-
-  using base_type = Quadrature<MuraKnowles<PointType,WeightType>>;
-
-public:
-
-  using point_type       = typename base_type::point_type;
-  using weight_type      = typename base_type::weight_type;
-  using point_container  = typename base_type::point_container;
-  using weight_container = typename base_type::weight_container;
-
-  /**
-   *  @brief Construct the Mura-Knowles radial quadrature
-   *
-   *  @param[in] npts Number of quadrature points to generate
-   *  @param[in] R    Radial scaling factor. Table for suggested
-   *                  values is given in the original reference. 
-   */
-  MuraKnowles(size_t npts, weight_type R = 1.): base_type( npts, R ) { }
-
-  MuraKnowles( const MuraKnowles& )     = default;
-  MuraKnowles( MuraKnowles&& ) noexcept = default;
-};
-
-
-
-
-
-
-
-/**
- *  @brief Quadrature traits for the Mura-Knowles quadrature
- *
- *  @tparam PointType  Type describing the quadrature points  
- *  @tparam WeightType Type describing the quadrature weights 
- */
-template <typename PointType, typename WeightType>
-struct quadrature_traits<
-  MuraKnowles<PointType,WeightType>,
-  std::enable_if_t<
-    std::is_floating_point_v<PointType> &&
-    std::is_floating_point_v<WeightType>
-  >
-> {
-
-  using point_type  = PointType;
-  using weight_type = WeightType;
-
-  using point_container  = std::vector< point_type >;
-  using weight_container = std::vector< weight_type >;
-
-  /**
-   *  @brief Generator for the Mura-Knowles quadrature
-   *
-   *  @param[in] npts Number of quadrature points to generate
-   *  @param[in] R    Radial scaling factor. Table for suggested
-   *                  values is given in the original reference. 
-   *
-   *  @returns Tuple of quadrature points and weights
-   */
-  inline static std::tuple<point_container,weight_container>
-    generate( size_t npts, weight_type R ) {
-
-    point_container  points( npts );
-    weight_container weights( npts );
-
-
-    using base_quad_traits = 
-      quadrature_traits<UniformTrapezoid<PointType,WeightType>>;
-
-    /*
-     * Generate uniform trapezoid points on [0,1]
-     * ux(j) = j/(m-1)
-     * uw(j) = 1/(m-1)
-     * m = npts + 2, j in [0, npts+2)
-     */
-    auto [ux, uw] = base_quad_traits::generate( npts+2, 0., 1. );
-
-    /*
-     * Perform Mura and Knowles transformation
-     *
-     * Original reference:
-     * J. Chem. Phys. 104, 9848 (1996); 
-     * DOI: https://doi.org/10.1063/1.471749
-     *
-     * Closed form for points / weights obtained from:
-     * Journal of Computational Chemistry, 24: 732–740, 2003
-     * DOI: https://doi.org/10.1002/jcc.10211
-     * 
-     * x(i) = ux(i+1)
-     * r(i) = - log(1 - x(i)^3) 
-     * w(i) = uw(i+1) * 3 * x(i)^2 / ( 1 - x(i)^3 )  
-     * i in [0, npts)
-     *
-     * XXX: i+1 offset on trapezoid points ignores enpoints of trapezoid 
-     *      quadrature (f(r) = 0 with r in {0,inf})
-     */
-    for( size_t i = 0; i < npts; ++i ) {
-      const auto xi       = ux[i+1];
-      const auto one_m_xi3 = 1. - xi*xi*xi;
-      points[i]  = -R * std::log( one_m_xi3 );
-      weights[i] = R * uw[i+1] * 3 * xi * xi / one_m_xi3;
-    }
-
-    return std::make_tuple( points, weights );
-
-  }
-
-};
-
-#else
 
 class MuraKnowlesRadialTraits : public RadialTraits {
 
@@ -179,7 +50,6 @@ using MuraKnowles = RadialTransformQuadrature<
   MuraKnowlesRadialTraits
 >;
 
-#endif
 
 namespace detail {