db.h

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#ifndef HEX_HEX_DB
#define HEX_HEX_DB

#include <map>
#include <string>
#include <vector>

#include "hex-arrays.h"

#include "interfaces.h"

enum eUnit
{
    eUnit_Ry,    // Rydberg (13.605692 eV, default)
    eUnit_au,    // Hartree (2 Ry)
    eUnit_eV    // electron-Volt
};

enum lUnit
{
    lUnit_au,    // atomic units (Bohr radius a₀=5.29x10⁻⁹ cm)
    lUnit_cgs    // centimeters (1 cm = (1cm/a₀) a₀)
};

// Angular units
enum aUnit
{
    aUnit_deg,    // degrees
    aUnit_rad    // radians
};

// global unit settings
extern eUnit Eunits;
extern lUnit Lunits;
extern aUnit Aunits;

int hex_run
(
    std::vector<std::string> const & vars,
    std::map<std::string,std::string> const & sdata
);

#endif