teqp::twocenterljf Namespace Reference

Classes
class	AttractiveContribution
class	DipolarContribution
class	HardSphereContribution
class	ParameterContainer
class	QuadrupolarContribution
class	ReducingDensity
class	ReducingTemperature
class	Twocenterljf

Enumerations
enum	model_types_2CLJF { MECKE = 1 , LISAL = 2 }

Functions
auto	get_density_reducing (const std::string &name)
auto	get_temperature_reducing (const std::string &name)
auto	get_Attractive_contribution (const std::string &name)
auto	get_HardSphere_contribution ()
auto	get_Dipolar_contribution (const std::string &name)
auto	get_Quadrupolar_contribution (const std::string &name)
auto	build_two_center_model (const std::string &model_version, const double &L=0.0)
auto	build_two_center_model_dipole (const std::string &model_version, const double &L=0.0, const double &mu_sq=0.0)
auto	build_two_center_model_quadrupole (const std::string &model_version, const double &L=0.0, const double &Q_sq=0.0)

Variables
const std::map< std::string, model_types_2CLJF >	modelmap = { {"2CLJF_Mecke",MECKE},{"2CLJF_Lisal",LISAL} }

Enumeration Type Documentation

model_types_2CLJF

enum teqp::twocenterljf::model_types_2CLJF

Enumerator
MECKE
LISAL

Definition at line 20 of file 2center_ljf.hpp.

Function Documentation

build_two_center_model()

auto teqp::twocenterljf::build_two_center_model ( const std::string & model_version, const double & L = 0.0 )

inline

Definition at line 410 of file 2center_ljf.hpp.

build_two_center_model_dipole()

auto teqp::twocenterljf::build_two_center_model_dipole ( const std::string & model_version, const double & L = 0.0, const double & mu_sq = 0.0 )

inline

Definition at line 429 of file 2center_ljf.hpp.

build_two_center_model_quadrupole()

auto teqp::twocenterljf::build_two_center_model_quadrupole ( const std::string & model_version, const double & L = 0.0, const double & Q_sq = 0.0 )

inline

Definition at line 447 of file 2center_ljf.hpp.

get_Attractive_contribution()

auto teqp::twocenterljf::get_Attractive_contribution ( const std::string & name )

inline

Definition at line 369 of file 2center_ljf.hpp.

get_density_reducing()

auto teqp::twocenterljf::get_density_reducing ( const std::string & name )

inline

Definition at line 353 of file 2center_ljf.hpp.

get_Dipolar_contribution()

auto teqp::twocenterljf::get_Dipolar_contribution ( const std::string & name )

inline

Definition at line 387 of file 2center_ljf.hpp.

get_HardSphere_contribution()

auto teqp::twocenterljf::get_HardSphere_contribution ( )

inline

Definition at line 382 of file 2center_ljf.hpp.

get_Quadrupolar_contribution()

auto teqp::twocenterljf::get_Quadrupolar_contribution ( const std::string & name )

inline

Definition at line 398 of file 2center_ljf.hpp.

get_temperature_reducing()

auto teqp::twocenterljf::get_temperature_reducing ( const std::string & name )

inline

Definition at line 362 of file 2center_ljf.hpp.

Variable Documentation

modelmap

const std::map<std::string, model_types_2CLJF> teqp::twocenterljf::modelmap = { {"2CLJF_Mecke",MECKE},{"2CLJF_Lisal",LISAL} }

Definition at line 22 of file 2center_ljf.hpp.