Module enums 

Wrappers for libxc enums and bitflags.

Modules

libxc_enum_items

Re-export all enum items for easy access.

Structs

LIBXC_FUNC_ENUM

Full list of functional identifiers (lazily generated).

LIBXC_FUNC_MAP

Mapping from functional identifier string to number id (lazily generated).

LIBXC_FUNC_STR

Full list of functional identifiers strings (lazily generated).

Enums

LibXCDeviceFlag

Whether the functional can be evaluated on device (CUDA) or host (CPU).

LibXCFamily

The family of the functional: LDA, GGA, MGGA and its hybrid variants.

LibXCFlags

Bitflags for functional properties.

LibXCFuncId

The functional identifier type, which is alias of FFI enum XcFuncId.

LibXCFunctionalKind

The kind of the functional: exchange, correlation, exchange-correlation, or kinetic.

LibXCRelavistic

Whether the functional is relativistic or non-relativistic.

LibXCSpin

Spin polarization of the functional.