votca 2026-dev
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gaussiankernel.h File Reference
#include <cmath>
#include "eigen.h"
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Classes

struct  votca::xtp::GaussianKernel
 Interaction of two normalized Gaussian charge distributions exp(-r^2/s_i^2) and exp(-r^2/s_j^2): erf(r/S)/r with S = sqrt(s_i^2 + s_j^2), and its radial derivative functions. More...

Namespaces

namespace  votca
 Provides a means for comparing floating point numbers.
namespace  votca::xtp
 Charge transport classes.

Macros

#define VOTCA_XTP_GAUSSIANKERNEL_H

Macro Definition Documentation

◆ VOTCA_XTP_GAUSSIANKERNEL_H

#define VOTCA_XTP_GAUSSIANKERNEL_H

Definition at line 22 of file gaussiankernel.h.