Module interface 

DFTD4 interface (safe wrapper).

Structs

DFTD4Model

DFTD4 dispersion model.

DFTD4Output

DFTD4 returned result.

DFTD4PairwiseOutput

DFTD4 pairwise returned result.

DFTD4Param

Basic struct for damping parameters, representing a parametrization of a DFT-D4 method.

DFTD4PropertyOutput

DFTD4 property returned result.

DFTD4RationalDampingParam

DFTD4 rational damping parameters.

DFTD4RationalDampingParamBuilder

Builder for DFTD4RationalDampingParam.

DFTD4Structure

Molecular structure data.

Enums

DFTD4Error

DFTD4 error class.

Traits

DFTD4LoadParamAPI

Trait for loading DFTD4Param by method name.

DFTD4ParamAPI

Trait for creating DFTD4Param from damping parameter structs.

Functions

dftd4_get_api_version

Get the version of the DFTD4 library.

dftd4_get_api_version_compact

Get the version of the DFTD4 library in list of integers (major, minor, patch).

dftd4_load_param

Load damping parameters by method name and DFT-D4 variant.