librpa_handler.h File Reference

librpa_handler.h File Reference#

LibRPA: librpa_handler.h File Reference

LibRPA

include

Handler management for LibRPA instances. More...

#include <mpi.h>

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Classes
struct	LibrpaHandler
	Opaque handle to a LibRPA instance. More...

Functions
LibrpaHandler *	librpa_create_handler (MPI_Comm comm)
	Create a new LibRPA handler instance.

void	librpa_destroy_handler (LibrpaHandler *h)
	Destroy a LibRPA handler instance.

Detailed Description

Handler management for LibRPA instances.

Function Documentation

◆ librpa_create_handler()

LibrpaHandler * librpa_create_handler ( MPI_Comm comm )

Create a new LibRPA handler instance.

Allocates and initializes a new LibRPA handler associated with the given MPI communicator. This handle is used in subsequent API calls to perform RPA/EXX/G0W0 calculations.

Parameters

[in] comm MPI communicator (e.g., MPI_COMM_WORLD).

Returns: Pointer to newly created LibrpaHandler. Must be freed with librpa_destroy_handler() when no longer needed.

See also: librpa_destroy_handler

◆ librpa_destroy_handler()

void librpa_destroy_handler ( LibrpaHandler * h )

Destroy a LibRPA handler instance.

Frees all internal resources associated with the handler. After this call, the handler pointer becomes invalid and should not be used.