MADNESS  0.10.1
Public Member Functions | List of all members
madness::OEP_Parameters Class Reference

#include <oep.h>

Inheritance diagram for madness::OEP_Parameters:
Inheritance graph
[legend]
Collaboration diagram for madness::OEP_Parameters:
Collaboration graph
[legend]

Public Member Functions

 OEP_Parameters ()
 
 OEP_Parameters (const OEP_Parameters &other)=default
 
 OEP_Parameters (World &world, const commandlineparser &parser)
 
double dens_thresh_hi () const
 
double dens_thresh_inv () const
 
double dens_thresh_lo () const
 
std::vector< double > kain_param () const
 
double levelshift () const
 
unsigned int maxiter () const
 
std::vector< std::string > model () const
 
bool no_compute () const
 
bool restart () const
 
unsigned int save_iter_corrections () const
 
unsigned int saving_amount () const
 
void set_derived_values (const Nemo::NemoCalculationParameters &nparam)
 
- 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
 
QCParameterget_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 More...
 
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 More...
 
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, QCParameterParameterContainerT
 
- Protected Member Functions inherited from madness::QCCalculationParametersBase
 QCCalculationParametersBase ()
 ctor for testing More...
 
 QCCalculationParametersBase (const QCCalculationParametersBase &other)
 copy ctor More...
 
virtual ~QCCalculationParametersBase ()
 destructor More...
 
const QCParameterget_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
 

Detailed Description

TODO:

Constructor & Destructor Documentation

◆ OEP_Parameters() [1/3]

madness::OEP_Parameters::OEP_Parameters ( )
inline

◆ OEP_Parameters() [2/3]

madness::OEP_Parameters::OEP_Parameters ( World world,
const commandlineparser parser 
)
inline

◆ OEP_Parameters() [3/3]

madness::OEP_Parameters::OEP_Parameters ( const OEP_Parameters other)
default

Member Function Documentation

◆ dens_thresh_hi()

double madness::OEP_Parameters::dens_thresh_hi ( ) const
inline

◆ dens_thresh_inv()

double madness::OEP_Parameters::dens_thresh_inv ( ) const
inline

◆ dens_thresh_lo()

double madness::OEP_Parameters::dens_thresh_lo ( ) const
inline

◆ kain_param()

std::vector<double> madness::OEP_Parameters::kain_param ( ) const
inline

Referenced by madness::OEP::iterate().

◆ levelshift()

double madness::OEP_Parameters::levelshift ( ) const
inline

◆ maxiter()

unsigned int madness::OEP_Parameters::maxiter ( ) const
inline

Referenced by madness::OEP::iterate().

◆ model()

std::vector<std::string> madness::OEP_Parameters::model ( ) const
inline

◆ no_compute()

bool madness::OEP_Parameters::no_compute ( ) const
inline

Referenced by madness::OEP::value().

◆ restart()

bool madness::OEP_Parameters::restart ( ) const
inline

◆ save_iter_corrections()

unsigned int madness::OEP_Parameters::save_iter_corrections ( ) const
inline

Referenced by madness::OEP::iterate().

◆ saving_amount()

unsigned int madness::OEP_Parameters::saving_amount ( ) const
inline

◆ set_derived_values()

void madness::OEP_Parameters::set_derived_values ( const Nemo::NemoCalculationParameters nparam)
inline

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