Enumerations
enum class	type { ULTRASOFT = 30 , SEMILOCAL = 31 , KLEINMAN_BYLANDER = 32 , PAW = 33 }

enum class	status { SUCCESS = 0 , FILE_NOT_FOUND = 455 , FORMAT_NOT_SUPPORTED = 456 , UNKNOWN_FORMAT = 457 , UNSUPPORTED_TYPE_ULTRASOFT = 458 , UNSUPPORTED_TYPE_PAW = 459 , UNSUPPORTED_TYPE = 460 }

enum class	format { FILE_NOT_FOUND = 773 , UNKNOWN = 774 , UPF1 = 775 , UPF2 = 776 , QSO = 777 , PSML = 778 , PSF = 779 , CPI = 780 , FHI = 781 , HGH = 782 , PSP8 = 783 }

enum class	exchange { UNKNOWN = -2 , ANY = -1 , NONE = 0 , LDA = 1 , PBE = 101 , PBE_SOL = 116 , B88 = 106 }

enum class	correlation { UNKNOWN = -2 , ANY = -1 , NONE = 0 , LDA_PZ = 9 , LDA_PW = 12 , LDA_XC_TETER93 = 20 , PBE = 130 , PBE_SOL = 133 , LYP = 131 }

Enumeration Type Documentation

◆ type

strong

strong

strong

strong

strong