librpa_enums.h File Reference

librpa_enums.h File Reference#

LibRPA: librpa_enums.h File Reference

LibRPA

include

Enumeration types and constants for LibRPA. More...

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Macros
#define	LIBRPA_UNSET -101
	Undefined or unset value for integer parameters.

#define	LIBRPA_AUTO -51
	Automatic selection value. LibRPA will choose appropriate setting.

#define	LIBRPA_SWITCH_OFF 0
	Switch value for disabled/off state (equivalent to false).

#define	LIBRPA_SWITCH_ON 1
	Switch value for enabled/on state (equivalent to true).

#define	LIBRPA_VERBOSE_DEBUG 4
	Verbose level for debug output.

#define	LIBRPA_VERBOSE_WARN 3
	Verbose level for warning messages.

#define	LIBRPA_VERBOSE_INFO 2
	Verbose level for informational messages.

#define	LIBRPA_VERBOSE_CRITICAL 1
	Verbose level for critical/error messages only.

#define	LIBRPA_VERBOSE_SILENT 0
	Silent mode - no output.

#define	LIBRPA_ROUTING_COUNT 5

#define	LIBRPA_TFGRID_COUNT 7

Typedefs
typedef int	LibrpaSwitch
	Boolean switch type.

typedef int	LibrpaKind
	Type of DFT code (reserved for future use).

typedef int	LibrpaVerbose
	Verbosity level for runtime output.

Enumerations
enum	LibrpaParallelRouting { ROUTING_UNSET = LIBRPA_UNSET , AUTO = LIBRPA_AUTO , RTAU = 0 , ATOMPAIR = 1 , LIBRI = 2 }
	Parallel routing strategy for distributed memory calculations. More...

enum	LibrpaTimeFreqGrid { TFGRID_UNSET = LIBRPA_UNSET , GaussLegendre = 0 , GaussChebyshevI = 1 , GaussChebyshevII = 2 , Minimax = 3 , EvenSpaced = 4 , EvenSpaced_TF = 5 }
	Type of time or frequency grid for integration. More...

Detailed Description

Enumeration types and constants for LibRPA.

This file defines the enumeration types used throughout LibRPA for parallel routing, time/frequency grids, and runtime controls.

Macro Definition Documentation

◆ LIBRPA_ROUTING_COUNT

#define LIBRPA_ROUTING_COUNT 5

Number of parallel routing types available.

◆ LIBRPA_TFGRID_COUNT

#define LIBRPA_TFGRID_COUNT 7

Number of time/frequency grid types available.

Typedef Documentation

◆ LibrpaKind

typedef int LibrpaKind

Type of DFT code (reserved for future use).

Currently reserved for identifying the source of wavefunction data. Not yet implemented.

◆ LibrpaSwitch

typedef int LibrpaSwitch

Boolean switch type.

Use LIBRPA_SWITCH_ON (1) or LIBRPA_SWITCH_OFF (0) to set.

◆ LibrpaVerbose

typedef int LibrpaVerbose

Verbosity level for runtime output.

Controls the amount of information printed during computation. Use one of LIBRPA_VERBOSE_* constants.

Enumeration Type Documentation

◆ LibrpaParallelRouting

enum LibrpaParallelRouting

Parallel routing strategy for distributed memory calculations.

Specifies how the computation is distributed across MPI processes.

Enumerator
ROUTING_UNSET	Use default routing (unset)
AUTO	Automatically select optimal routing.
RTAU	Real-space tau (time) decomposition.
ATOMPAIR	Atom-pair parallelization.
LIBRI	Use LibRI for RI basis operations.

◆ LibrpaTimeFreqGrid

enum LibrpaTimeFreqGrid

Type of time or frequency grid for integration.

Different grid types offer different convergence properties for RPA and GW calculations.

Enumerator
TFGRID_UNSET	Use default grid (unset)
GaussLegendre	Gauss-Legendre quadrature.
GaussChebyshevI	Gauss-Chebyshev type I.
GaussChebyshevII	Gauss-Chebyshev type II.
Minimax	Minimax grid.
EvenSpaced	Evenly spaced grid.
EvenSpaced_TF	Evenly spaced in time-frequency.