DistArray4_MPIIOFile_Ind handles transformed integrals stored in a binary file accessed through MPI-IO individual I/O routines. More...

Inheritance diagram for sc::DistArray4_MPIIOFile_Ind:

Public Member Functions
	DistArray4_MPIIOFile_Ind (const char *filename, int num_te_types, int ni, int nj, int nx, int ny, DistArray4Storage storage=DistArray4Storage_XY)
	DistArray4_MPIIOFile_Ind (StateIn &)
void	save_data_state (StateOut &)
	Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them.
Ref< DistArray4 >	clone (const DistArray4Dimensions &dim=DistArray4Dimensions::default_dim())
	helps to implement clone of Derived class
void	store_pair_block (int i, int j, tbint_type oper_type, const double *ints)
	Stores an ij pair block of integrals.
void	store_pair_subblock (int i, int j, tbint_type oper_type, int xstart, int xfence, int ystart, int yfence, const double *ints)
	Stores an rectangular subblock of ij block of integrals.
const double *	retrieve_pair_block (int i, int j, tbint_type oper_type, double *buf=0) const
	Retrieves an ij block of integrals.
void	retrieve_pair_subblock (int i, int j, tbint_type oper_type, int xstart, int xfence, int ystart, int yfence, double *buf) const
	Retrieves a rectangular subblock of ij block of integrals.

Detailed Description

DistArray4_MPIIOFile_Ind handles transformed integrals stored in a binary file accessed through MPI-IO individual I/O routines.

The ordering of integrals in blocks is not specified to avoid having to reorder integrals Each pair block has size of num_te_types*nbasis*nbasis

Member Function Documentation

const double* sc::DistArray4_MPIIOFile_Ind::retrieve_pair_block	(	int	i,
		int	j,
		tbint_type	oper_type,
		double *	buf = `0`
	)		const `[virtual]`

Retrieves an ij block of integrals.

Note that it comes stored according to storage(). No locking is performed.

Parameters:

buf	specifies the buffer in which to write the data (if not provided, will allocate dynamically). this buffer will be used by subsequent retrieve_pair_block() requests until release_pair_block() is called.

void sc::DistArray4_MPIIOFile_Ind::retrieve_pair_subblock	(	int	i,
		int	j,
		tbint_type	oper_type,
		int	xstart,
		int	xfence,
		int	ystart,
		int	yfence,
		double *	buf
	)		const `[virtual]`

Retrieves a rectangular subblock of ij block of integrals.

void sc::DistArray4_MPIIOFile_Ind::save_data_state ( StateOut & ) [virtual]

Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them.

This must be implemented by the derived class if the class has data.

void sc::DistArray4_MPIIOFile_Ind::store_pair_block	(	int	i,
		int	j,
		tbint_type	oper_type,
		const double *	ints
	)		`[virtual]`

Stores an ij pair block of integrals.

It is assumed to be stored according to storage(). It must also be "local", i.e. is_local(i,j) must be true. No locking is performed.

void sc::DistArray4_MPIIOFile_Ind::store_pair_subblock	(	int	i,
		int	j,
		tbint_type	oper_type,
		int	xstart,
		int	xfence,
		int	ystart,
		int	yfence,
		const double *	ints
	)		`[virtual]`

Stores an rectangular subblock of ij block of integrals.

Most efficient if the block is contiguous, i.e. yfence - ystart = ny().

The documentation for this class was generated from the following file: