tblite Directory Reference

Collection of public API bindings for the tblite library.

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Files
	calculator.h
	Provides a single point calculator for performing extended tight-binding computations.
	container.h
	Provides an interaction container which can be added to a tblite_calculator.
	context.h
	Provides a persistent configuration object to modify the behaviour of a calculation. Acts as an error handler.
	double_dictionary.h
	Provides access to the double dictionary class in tblite, which gathers post processing values.
	error.h
	Provides a light-weight error handler for communicating with the library.
	features.h
	Access to feature flags of the tblite library.
	macros.h
	General macro definitions for the tblite C API bindings.
	param.h
	Provides a representation of a parametrization of an xTB Hamiltonian which can be used to instantiate a tblite_calculator object.
	result.h
	Provides a storage container tblite_result for all persistent quantities produced in a calculation by tblite_get_singlepoint. The data stored in tblite_result can be used as restart data for subsequent calculations.
	solvation.h
	Provides solvation specific interaction containers which can be added to a tblite_calculator.
	structure.h
	The structure data tblite_structure is used to represent the system of interest in the library.
	table.h
	Provides a representation of a generic table data structure.
	version.h
	Provides access to the version, compatibility and features exported by this API.

Detailed Description

Collection of public API bindings for the tblite library.