soliquidy Namespace Reference

Functions
void	run_cmd (aurostd::xoption &vpflow, std::istream &input)
aurostd::JSON::object	CalculateEntryLoader (const std::shared_ptr< std::vector< std::shared_ptr< aflowlib::_aflowlib_entry > > > &aflux_result, const std::string &result_folder="", bool create_x3d=false)
aurostd::JSON::object	CalculateWorklist (const std::vector< std::string > &worklist, const std::string &result_folder="", bool create_x3d=false)
aurostd::JSON::object	Calculate (const xstructure &work_structure, const std::filesystem::path &out_folder="", bool create_x3d=false)
template<class utype>
aurostd::JSON::object	CalculateAUID (const utype &auid, const std::string &result_folder="", bool create_x3d=false)

Function Documentation

run_cmd()

void soliquidy::run_cmd	(	aurostd::xoption &	vpflow,
		std::istream &	input )

CalculateEntryLoader()

aurostd::JSON::object soliquidy::CalculateEntryLoader	(	const std::shared_ptr< std::vector< std::shared_ptr< aflowlib::_aflowlib_entry > > > &	aflux_result,
		const std::string &	result_folder = "",
		bool	create_x3d = false )

CalculateWorklist()

aurostd::JSON::object soliquidy::CalculateWorklist	(	const std::vector< std::string > &	worklist,
		const std::string &	result_folder = "",
		bool	create_x3d = false )

Calculate()

aurostd::JSON::object soliquidy::Calculate	(	const xstructure &	work_structure,
		const std::filesystem::path &	out_folder = "",
		bool	create_x3d = false )

CalculateAUID()

template<class utype>

aurostd::JSON::object soliquidy::CalculateAUID	(	const utype &	auid,
		const std::string &	result_folder = "",
		bool	create_x3d = false )