DFT-EFE
 
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BoostAutoDiff.h File Reference
#include <vector>
#include <utils/Point.h>
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Namespaces

namespace  dftefe
 dealii includes
 
namespace  dftefe::atoms
 

Functions

double dftefe::atoms::getValueBoostAutoDiff (const utils::Point &point, const utils::Point &origin, const std::vector< double > &coeffVec, const double smoothness, const double cutoff, const int l, const int m, const double polarAngleTolerance)
 
std::vector< double > dftefe::atoms::getGradientValueBoostAutoDiff (const utils::Point &point, const utils::Point &origin, const std::vector< double > &coeffVec, const double smoothness, const double cutoff, const int l, const int m, const double polarAngleTolerance)
 
std::vector< double > dftefe::atoms::getHessianValueBoostAutoDiff (const utils::Point &point, const utils::Point &origin, const std::vector< double > &coeffVec, const double smoothness, const double cutoff, const int l, const int m, const double polarAngleTolerance)