Merged in matrixFreeClassBugPR (pull request #628)

Revert MatrixFreeClass changes

Approved-by: Sambit Das

CMakeLists.txt

@@ -68,7 +68,7 @@ SET(TARGET_SRC
   ./src/excManager/NNLLMGGA.cpp
   ./src/excManager/AtomicBasisData.cpp
   ./src/excManager/SlaterBasis.cpp
-  ./src/excManager/GaussianBasis.cpp  
+  ./src/excManager/GaussianBasis.cpp
   ./src/poisson/poissonSolverProblem.cc
   ./src/poisson/MultiVectorPoissonLinearSolverProblem.cpp
   ./src/helmholtz/kerkerSolverProblem.cc
@@ -224,7 +224,6 @@ SET(DEVICE_SRC
   ./src/helmholtz/kerkerSolverProblemDevice.cc
   ./utils/FEBasisOperationsKernelsInternalDevice.cc
   ./src/atom/AtomicCenteredNonLocalOperatorKernelsDevice.cc
-  ./src/matrixFree/MatrixFree.cc
   )
 
 ELSEIF ("${GPU_LANG}" STREQUAL "hip")
@@ -253,7 +252,6 @@ SET(DEVICE_SRC
   ./src/helmholtz/kerkerSolverProblemDevice.cc
   ./utils/FEBasisOperationsKernelsInternalDevice.cc
   ./src/atom/AtomicCenteredNonLocalOperatorKernelsDevice.cc
-  ./src/matrixFree/MatrixFree.cc
   )
 
 ENDIF()

include/kerkerSolverProblemDevice.h

@@ -28,7 +28,6 @@
 #    include <MemoryStorage.h>
 #    include <dftUtils.h>
 #    include <FEBasisOperations.h>
-#    include <MatrixFree.h>
 
 
 namespace dftfe
@@ -163,6 +162,13 @@ namespace dftfe
 
 
   private:
+    /**
+     * @brief Sets up the matrixfree shapefunction, gradient, jacobian and map for matrixfree computeAX
+     *
+     */
+    void
+    setupMatrixFree();
+
     /**
      * @brief Sets up the constraints matrix
      *
@@ -195,9 +201,6 @@ namespace dftfe
     // kerker mixing constant
     double d_gamma;
 
-    /// pointer to MatrixFree Base object
-    std::unique_ptr<dftfe::MatrixFreeBase> d_matrixFreeBasePtr;
-
     // shape function value, gradient, jacobian and map for matrixfree
     dftfe::utils::MemoryStorage<double, dftfe::utils::MemorySpace::DEVICE>
                                                                         d_shapeFunction, d_jacobianFactor;

include/poissonSolverProblemDevice.h

@@ -26,7 +26,6 @@
 #    include <headers.h>
 #    include "FEBasisOperations.h"
 #    include "BLASWrapper.h"
-#    include <MatrixFree.h>
 
 namespace dftfe
 {
@@ -160,6 +159,13 @@ namespace dftfe
 
 
   private:
+    /**
+     * @brief Sets up the matrixfree shapefunction, gradient, jacobian and map for matrixfree computeAX
+     *
+     */
+    void
+    setupMatrixFree();
+
     /**
      * @brief Sets up the constraints matrix
      *
@@ -222,9 +228,6 @@ namespace dftfe
     /// pointer to dealii MatrixFree object
     const dealii::MatrixFree<3, double> *d_matrixFreeDataPtr;
 
-    /// pointer to MatrixFree Base object
-    std::unique_ptr<dftfe::MatrixFreeBase> d_matrixFreeBasePtr;
-
     /// pointer to the x vector being solved for
     distributedCPUVec<double> *  d_xPtr;
     distributedDeviceVec<double> d_xDevice;
@@ -233,6 +236,18 @@ namespace dftfe
     // locally owned and total degrees of freedom including ghost
     int d_nLocalCells, d_xLocalDof, d_xLen;
 
+    // shape function value, gradient, jacobian and map for matrixfree
+    dftfe::utils::MemoryStorage<double, dftfe::utils::MemorySpace::DEVICE>
+                                                                        d_shapeFunction, d_jacobianFactor;
+    dftfe::utils::MemoryStorage<int, dftfe::utils::MemorySpace::DEVICE> d_map;
+
+    // Pointers to shape function value, gradient, jacobian and map for
+    // matrixfree
+    double *d_shapeFunctionPtr;
+    double *d_jacobianFactorPtr;
+    int *   d_mapPtr;
+
+
     // constraints
     dftUtils::constraintMatrixInfo<dftfe::utils::MemorySpace::DEVICE>
       d_constraintsTotalPotentialInfo,