projector.hpp

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#pragma once
 
/**
 * Projector.
 *
 * A single Kleinman-Bylander projector function (β_i) in a
 * pseudopotential. Defined on a radial grid.
 */
 
#include <vector>
 
#include "layer_0_core/types/init.hpp"
 
namespace q3 {
 
/// A single projector β_i(r) from a pseudopotential.
struct Projector {
    int angular_momentum;
    int number_of_radial_cutoff_points;
    std::vector<Real> radial_values; // beta(r) * r
};
 
} // namespace q3