Class Scine::Utils::Dftd3::Dftd3ReferencePairs

class Dftd3ReferencePairs

This class holds the large 4-dimensional array of all reference pairs needed for the calculation of the C6 coefficients.

Public Static Attributes

constexpr double placeholder = -42

This placeholder is introduced for the array, so that an array of definite size could be constructed.

This was necessary to make it static constexpr.

constexpr std::array<std::array<std::array<std::array<double, 3>, 25>, 94>, 94> referencePairs_

This array holds all reference pairs.