librpa_options.h File Reference

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librpa_options.h File Reference

Runtime options for LibRPA calculations. More...

#include "librpa_enums.h"

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Classes
struct	LibrpaOptions
	Runtime options structure for LibRPA calculations. More...

Macros
#define	LIBRPA_MAX_STRLEN   200

Functions
void	librpa_init_options (LibrpaOptions *opts)
	Initialize runtime options to default values.
void	librpa_set_output_dir (LibrpaOptions *opts, const char *output_dir)
	Set the output directory for LibRPA results.

Detailed Description

Runtime options for LibRPA calculations.

This file defines the LibrpaOptions structure that controls runtime behavior for RPA, exact exchange, and G0W0 calculations.

Macro Definition Documentation

◆ LIBRPA_MAX_STRLEN

#define LIBRPA_MAX_STRLEN   200

Maximum length for string parameters (e.g., output directory path).

Function Documentation

◆ librpa_init_options()

void librpa_init_options

(

LibrpaOptions *

opts

)

Initialize runtime options to default values.

Sets all options to their default settings. Must be called before modifying options and passing to computation functions.

Parameters

[out]

opts

Pointer to the options structure to initialize.

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◆ librpa_set_output_dir()

void librpa_set_output_dir	(	LibrpaOptions *	opts,
		const char *	output_dir )

Set the output directory for LibRPA results.

Parameters

[in,out]	opts	Pointer to the options structure.
[in]	output_dir	Path to directory where output files will be written.

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