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ampsci
High-precision calculations for one- and two-valence atomic systems
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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 |
| GridParameters::GridParameters | ( | std::size_t | innum_points = 1, |
| double | inr0 = 1.0, |
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| double | inrmax = 1.0, |
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| double | inb = 4.0, |
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| GridType | intype = GridType::loglinear, |
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| double | indu = 0 |
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| ) |
Construct GridParameters.
| innum_points | Number of grid points. If 0, calculated from indu. |
| inr0 | Minimum grid point. |
| inrmax | Maximum grid point. |
| inb | Log-linear turning point. |
| intype | Grid type (loglinear, logarithmic, linear). |
| indu | Uniform step size; only used if innum_points == 0. |
| GridParameters::GridParameters | ( | std::size_t | innum_points, |
| double | inr0, | ||
| double | inrmax, | ||
| double | inb, | ||
| const std::string & | str_type = "loglinear", |
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| double | indu = 0 |
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| ) |
Construct GridParameters with grid type given as a string.
| innum_points | Number of grid points. If 0, calculated from indu. |
| inr0 | Minimum grid point. |
| inrmax | Maximum grid point. |
| inb | Log-linear turning point. |
| str_type | Grid type as string: "loglinear", "logarithmic", or "linear". |
| indu | Uniform step size; only used if innum_points == 0. |
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static |
Converts a string ("loglinear", "logarithmic", "linear") to GridType.
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static |
Converts a GridType to its string representation.
| double GridParameters::r0 |
Minimum grid point.
| double GridParameters::rmax |
Maximum grid point.
| double GridParameters::b |
Log-linear turning point (~logarithmic for r<b, linear for r>b)