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[alexxy/gromacs.git] / src / gromacs / math / densityfittingforce.h

diff --git a/src/gromacs/math/densityfittingforce.h b/src/gromacs/math/densityfittingforce.h
index 375f554ec78cacc8ebc3b2129000434be2ead2bc..5c16dadc77c70e2a1c9440dbba99b6fb56e5aed2 100644 (file)
--- a/src/gromacs/math/densityfittingforce.h
+++ b/src/gromacs/math/densityfittingforce.h
@@ -71,41 +71,41 @@ namespace gmx
  */
 class DensityFittingForce
 {
-    public:
-        /*! \brief Construct density fitting force evaluator.
-         * \param[in] kernelShapeParameters the global parameters of the density spreading kernel
-         */
-        DensityFittingForce(const GaussianSpreadKernelParameters::Shape &kernelShapeParameters);
+public:
+    /*! \brief Construct density fitting force evaluator.
+     * \param[in] kernelShapeParameters the global parameters of the density spreading kernel
+     */
+    DensityFittingForce(const GaussianSpreadKernelParameters::Shape& kernelShapeParameters);
 
-        ~DensityFittingForce();
-        //! Copy constructor
-        DensityFittingForce(const DensityFittingForce &other);
-        //! Copy assignment
-        DensityFittingForce &operator=(const DensityFittingForce &other);
-        //! Move constructor
-        DensityFittingForce(DensityFittingForce &&other) noexcept;
-        //! Move assignment
-        DensityFittingForce &operator=(DensityFittingForce &&other) noexcept;
-        /*! \brief
-         * Evaluate density-fitting force between a reference density and the
-         * density generated by a kernel.
-         *
-         * Implements the equation in the class description.
-         *
-         * \param[in] localParameters   local parameters of the spreading kernel
-         * \param[in] densityDerivative the spatial derivative of the similarity
-         *                              measure between the reference density and
-         *                              a density that was generated using the
-         *                              spreading kernel
-         *
-         * \returns the force that increases the measure of the goodness of fit used to calculate the density derivative
-         */
-        RVec evaluateForce(const GaussianSpreadKernelParameters::PositionAndAmplitude &localParameters,
-                           basic_mdspan<const float, dynamicExtents3D> densityDerivative);
+    ~DensityFittingForce();
+    //! Copy constructor
+    DensityFittingForce(const DensityFittingForce& other);
+    //! Copy assignment
+    DensityFittingForce& operator=(const DensityFittingForce& other);
+    //! Move constructor
+    DensityFittingForce(DensityFittingForce&& other) noexcept;
+    //! Move assignment
+    DensityFittingForce& operator=(DensityFittingForce&& other) noexcept;
+    /*! \brief
+     * Evaluate density-fitting force between a reference density and the
+     * density generated by a kernel.
+     *
+     * Implements the equation in the class description.
+     *
+     * \param[in] localParameters   local parameters of the spreading kernel
+     * \param[in] densityDerivative the spatial derivative of the similarity
+     *                              measure between the reference density and
+     *                              a density that was generated using the
+     *                              spreading kernel
+     *
+     * \returns the force that increases the measure of the goodness of fit used to calculate the density derivative
+     */
+    RVec evaluateForce(const GaussianSpreadKernelParameters::PositionAndAmplitude& localParameters,
+                       basic_mdspan<const float, dynamicExtents3D> densityDerivative);
 
-    private:
-        class Impl;
-        PrivateImplPointer<Impl> impl_;
+private:
+    class Impl;
+    PrivateImplPointer<Impl> impl_;
 };
 
 } // namespace gmx