ampsci
High-precision calculations for one- and two-valence atomic systems
GridParameters

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Parameters used to construct a Grid.

Bundles all grid construction parameters. Either specify the number of points directly, or set innum_points = 0 and provide indu to have the number of points calculated automatically.

#include <Grid.hpp>

Public Member Functions

 GridParameters (std::size_t innum_points=1, double inr0=1.0, double inrmax=1.0, double inb=4.0, GridType intype=GridType::loglinear, double indu=0)
 Construct GridParameters.
 
 GridParameters (std::size_t innum_points, double inr0, double inrmax, double inb, const std::string &str_type="loglinear", double indu=0)
 Construct GridParameters with grid type given as a string.
 

Static Public Member Functions

static GridType parseType (const std::string &str_type)
 Converts a string ("loglinear", "logarithmic", "linear") to GridType.
 
static std::string parseType (GridType type)
 Converts a GridType to its string representation.
 

Public Attributes

std::size_t num_points
 
double r0
 Minimum grid point.
 
double rmax
 Maximum grid point.
 
double b
 Log-linear turning point (~logarithmic for r<b, linear for r>b)
 
GridType type
 

Constructor & Destructor Documentation

◆ GridParameters() [1/2]

GridParameters::GridParameters ( std::size_t  innum_points = 1,
double  inr0 = 1.0,
double  inrmax = 1.0,
double  inb = 4.0,
GridType  intype = GridType::loglinear,
double  indu = 0 
)

Construct GridParameters.

Parameters
innum_pointsNumber of grid points. If 0, calculated from indu.
inr0Minimum grid point.
inrmaxMaximum grid point.
inbLog-linear turning point.
intypeGrid type (loglinear, logarithmic, linear).
induUniform step size; only used if innum_points == 0.

◆ GridParameters() [2/2]

GridParameters::GridParameters ( std::size_t  innum_points,
double  inr0,
double  inrmax,
double  inb,
const std::string &  str_type = "loglinear",
double  indu = 0 
)

Construct GridParameters with grid type given as a string.

Parameters
innum_pointsNumber of grid points. If 0, calculated from indu.
inr0Minimum grid point.
inrmaxMaximum grid point.
inbLog-linear turning point.
str_typeGrid type as string: "loglinear", "logarithmic", or "linear".
induUniform step size; only used if innum_points == 0.

Member Function Documentation

◆ parseType() [1/2]

GridType GridParameters::parseType ( const std::string &  str_type)
static

Converts a string ("loglinear", "logarithmic", "linear") to GridType.

◆ parseType() [2/2]

std::string GridParameters::parseType ( GridType  type)
static

Converts a GridType to its string representation.

Member Data Documentation

◆ r0

double GridParameters::r0

Minimum grid point.

◆ rmax

double GridParameters::rmax

Maximum grid point.

◆ b

double GridParameters::b

Log-linear turning point (~logarithmic for r<b, linear for r>b)


The documentation for this struct was generated from the following files: