DiracParameters Class Reference

Inheritance diagram for DiracParameters:

Collaboration diagram for DiracParameters:

Public Member Functions
	DiracParameters ()
	ctor reading out the input file
	DiracParameters (World &world, const commandlineparser &parser)
long	ansatz () const
double	charge () const
double	lo () const
long	nstates () const
double	nucrad () const
double	shift () const
bool	use_ble () const
bool	use_bsp () const
Public Member Functions inherited from madness::QCCalculationParametersBase
bool	file_exists (World &world, std::string filename) const
void	from_json (const json &j)
template<typename T >
T	get (const std::string key) const
ParameterContainerT	get_all_parameters () const
QCParameter &	get_parameter (const std::string key)
hashT	hash () const
bool	is_user_defined (std::string key) const
bool	operator== (const QCCalculationParametersBase &other) const
bool	parameter_exists (const std::string &key) const
void	print (const std::string header="", const std::string footer="") const
	print all parameters
std::string	print_to_string (bool non_defaults_only=false) const
virtual void	read_internal (World &world, std::string &filecontents, std::string tag)
	read the stream, starting from tag
template<typename Archive >
void	serialize (Archive &ar)
template<typename T >
void	set_derived_value (const std::string &key, const T &value)
template<typename T >
void	set_user_defined_value (const std::string &key, const T &value)
json	to_json () const
void	to_json (json &j) const

Additional Inherited Members
Static Public Member Functions inherited from madness::QCCalculationParametersBase
static std::string	add_quotes (const std::string arg)
template<typename T >
static bool	check_type (const std::string key, const QCParameter &parameter)
template<typename T >
static bool	check_type_silent (const QCParameter &parameter)
template<typename T >
static std::enable_if<!std::is_same< T, bool >::value, T >::type	fromstring (const std::string &arg)
template<typename T >
static std::enable_if< std::is_same< T, bool >::value, T >::type	fromstring (const std::string &arg)
template<typename T >
static std::enable_if< std::is_floating_point< T >::value, void >::type	overwrite_if_inf (std::string &str, const T &arg)
template<typename T >
static std::enable_if<!std::is_floating_point< T >::value, void >::type	overwrite_if_inf (std::string &str, const T &arg)
template<typename T >
static std::enable_if< std::is_same< T, std::string >::value, T >::type	read_quotes (std::stringstream &ssvalue)
template<typename T >
static std::enable_if<!std::is_same< T, std::string >::value, T >::type	read_quotes (std::stringstream &ssvalue)
static std::string	tostring (const bool &arg)
template<typename T >
static std::string	tostring (const T &arg)
static std::string	trim_blanks (const std::string arg)
static std::string	trim_quotes (const std::string arg)
Protected Types inherited from madness::QCCalculationParametersBase
typedef std::map< std::string, QCParameter >	ParameterContainerT
Protected Member Functions inherited from madness::QCCalculationParametersBase
	QCCalculationParametersBase ()
	ctor for testing
	QCCalculationParametersBase (const QCCalculationParametersBase &other)
	copy ctor
virtual	~QCCalculationParametersBase ()
	destructor
const QCParameter &	get_parameter (const std::string key) const
template<typename T >
void	initialize (const std::string &key, const T &value, const std::string comment="", const std::vector< T > allowed_values={})
virtual void	read_input_and_commandline_options (World &world, const commandlineparser &parser, const std::string tag)
template<typename T >
bool	try_setting_user_defined_value (const std::string &key, const std::string &val)
Protected Attributes inherited from madness::QCCalculationParametersBase
bool	ignore_unknown_keys =true
bool	ignore_unknown_keys_silently =false
ParameterContainerT	parameters
bool	print_debug =false
bool	throw_if_datagroup_not_found =true

Constructor & Destructor Documentation

DiracParameters() [1/2]

DiracParameters::DiracParameters ( )

inline

ctor reading out the input file

References e().

DiracParameters() [2/2]

DiracParameters::DiracParameters ( World &  world, const commandlineparser &  parser  )

inline

References madness::QCCalculationParametersBase::read_input_and_commandline_options().

Member Function Documentation

ansatz()

long DiracParameters::ansatz ( ) const

inline

charge()

double DiracParameters::charge ( ) const

inline

Referenced by main().

lo()

double DiracParameters::lo ( ) const

inline

Referenced by main().

nstates()

long DiracParameters::nstates ( ) const

inline

Referenced by main().

nucrad()

double DiracParameters::nucrad ( ) const

inline

Referenced by main().

shift()

double DiracParameters::shift ( ) const

inline

use_ble()

bool DiracParameters::use_ble ( ) const

inline

Referenced by main().

use_bsp()

bool DiracParameters::use_bsp ( ) const

inline

Referenced by main().

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The documentation for this class was generated from the following file:

• dirac-hatom.cc