FiniteDifference.h

Go to the documentation of this file.

#ifndef DFTFE_FiniteDifference_H
#define DFTFE_FiniteDifference_H
 
#include <vector>
#include <TypeConfig.h>
 
namespace dftfe
{
  namespace utils
  {
    class FiniteDifference
    {
    public:
      static std::vector<double>
      getStencilGridOneVariableCentral(const dftfe::uInt totalStencilSize,
                                       const double      h);
 
 
 
      // stencil index is the fastest index in stencilDataAllQuadPoints
      // memory for firstOrderDerivative is assumed to be allocated
      static void
      firstOrderDerivativeOneVariableCentral(
        const dftfe::uInt totalStencilSize,
        const double      h,
        const dftfe::uInt numQuadPoints,
        const double     *stencilDataAllQuadPoints,
        double           *firstOrderDerivative);
 
      static void
      firstOrderDerivativeOneVariableCentral(
        const dftfe::uInt totalStencilSize,
        const double     *h,
        const dftfe::uInt numQuadPoints,
        const double     *stencilDataAllQuadPoints,
        double           *firstOrderDerivative);
 
 
      // stencil index is the fastest index in stencilDataAllQuadPoints
      // memory for secondOrderDerivative is assumed to be allocated
      static void
      secondOrderDerivativeOneVariableCentral(
        const dftfe::uInt totalStencilSize,
        const double      h,
        const dftfe::uInt numQuadPoints,
        const double     *stencilDataAllQuadPoints,
        double           *secondOrderDerivative);
 
      static void
      secondOrderDerivativeOneVariableCentral(
        const dftfe::uInt totalStencilSize,
        const double     *h,
        const dftfe::uInt numQuadPoints,
        const double     *stencilDataAllQuadPoints,
        double           *secondOrderDerivative);
    };
  } // namespace utils
} // namespace dftfe
 
#endif // DFTFE_FiniteDifference_H