errors.hpp

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#pragma once
 
/**
 * Pseudopotential-related error types.
 */
 
#include <stdexcept>
 
namespace q3 {
 
/**
 * Thrown when an input requests a pseudopotential type that is recognized
 * but not implemented (e.g. PAW). Distinct from std::runtime_error so that
 * callers and tests can tell "unsupported type" apart from a malformed file.
 */
class UnsupportedPseudopotentialTypeError : public std::runtime_error {
  public:
    using std::runtime_error::runtime_error;
};
 
} // namespace q3