FcidumpReader.hpp

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#ifndef FCIDUMP_READER_DEFINED
#define FCIDUMP_READER_DEFINED
 
#include <algorithms/Algorithm.hpp>
 
namespace sisi4s {
 
class FcidumpReader : public Algorithm {
public:
  struct FcidumpHeader {
    size_t norb;
    size_t nelec;
    size_t uhf;
    size_t ms2;
  };
 
  FcidumpHeader parseHeader(const std::string &);
 
  ALGORITHM_REGISTRAR_DECLARATION(FcidumpReader);
  FcidumpReader(std::vector<Argument> const &argumentList)
      : Algorithm(argumentList){};
  ~FcidumpReader(){};
  virtual void run();
};
} // namespace sisi4s
 
#endif