hfx_compression_methods Module Reference

routines and types for Hartree-Fock-Exchange More...

Functions/Subroutines
subroutine, public	hfx_add_single_cache_element (value, nbits, cache, container, memory_usage, use_disk_storage, max_val_memory)
	This routine adds an int_8 value to a cache. If the cache is full a compression routine is invoked and the cache is cleared
subroutine, public	hfx_get_single_cache_element (value, nbits, cache, container, memory_usage, use_disk_storage)
	This routine returns an int_8 value from a cache. If the cache is empty a decompression routine is invoked and the cache is refilled with decompressed values from a container
subroutine, public	hfx_reset_cache_and_container (cache, container, memory_usage, do_disk_storage)
	This routine resets the containers list pointer to the first element and moves the element counters of container and cache to the beginning
subroutine, public	hfx_decompress_first_cache (nbits, cache, container, memory_usage, use_disk_storage)
	This routine decompresses the first bunch of data in a container and copies them into a cache
subroutine, public	hfx_flush_last_cache (nbits, cache, container, memory_usage, use_disk_storage)
	This routine compresses the last probably not yet compressed cache into a container
subroutine, public	hfx_add_mult_cache_elements (values, nints, nbits, cache, container, eps_schwarz, pmax_entry, memory_usage, use_disk_storage)
	This routine adds an a few real values to a cache. If the cache is full a compression routine is invoked and the cache is cleared
subroutine, public	hfx_get_mult_cache_elements (values, nints, nbits, cache, container, eps_schwarz, pmax_entry, memory_usage, use_disk_storage)
	This routine returns a bunch real values from a cache. If the cache is empty a decompression routine is invoked and the cache is refilled with decompressed values from a container
subroutine, public	hfx_add_mult_real_elements (values, nints, cache, container, eps, memory_usage, use_disk_storage)
	Adds real values to a cache (at most a cache full); a full cache is packed into the container, then the cache takes the remaining values.
subroutine, public	hfx_get_mult_real_elements (values, nints, cache, container, eps, memory_usage, use_disk_storage)
	Gets real values from a cache (at most a cache full); an exhausted cache is refilled from the next record of the container.
subroutine, public	hfx_flush_last_real_cache (cache, container, eps, memory_usage, use_disk_storage)
	Packs the last cache of real values (unused values as zeros) into the container.
subroutine, public	hfx_decompress_first_real_cache (cache, container, eps, memory_usage, use_disk_storage)
	Fills a cache of real values with the first record of a container.
subroutine, public	hfx_reset_real_cache_and_container (cache, container, memory_usage, do_disk_storage)
	Moves a cache of real values and its container back to the beginning (as hfx_reset_cache_and_container).

Detailed Description

routines and types for Hartree-Fock-Exchange

History

11.2006 created [Manuel Guidon]

Author

Manuel Guidon

Function/Subroutine Documentation

hfx_add_single_cache_element()

subroutine, public hfx_compression_methods::hfx_add_single_cache_element	(	integer(int_8)	value,
		integer	nbits,
		type(hfx_cache_type)	cache,
		type(hfx_container_type)	container,
		integer	memory_usage,
		logical	use_disk_storage,
		integer(int_8), optional	max_val_memory )

• This routine adds an int_8 value to a cache. If the cache is full a compression routine is invoked and the cache is cleared

Parameters

value	value to be added to the cache
nbits	number of bits to be stored
cache	cache to which we want to add
container	container that contains the compressed elements
memory_usage	...
use_disk_storage	...
max_val_memory	...

History

10.2007 created [Manuel Guidon]

Author

Manuel Guidon

Definition at line 85 of file hfx_compression_methods.F.

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hfx_get_single_cache_element()

subroutine, public hfx_compression_methods::hfx_get_single_cache_element	(	integer(int_8)	value,
		integer	nbits,
		type(hfx_cache_type)	cache,
		type(hfx_container_type)	container,
		integer	memory_usage,
		logical	use_disk_storage )

• This routine returns an int_8 value from a cache. If the cache is empty a decompression routine is invoked and the cache is refilled with decompressed values from a container

Parameters

value	value to be retained from the cache
nbits	number of bits with which the value has been compressed
cache	cache from which we get the value
container	container that contains the compressed elements
memory_usage	...
use_disk_storage	...

History

10.2007 created [Manuel Guidon]

Author

Manuel Guidon

Definition at line 197 of file hfx_compression_methods.F.

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hfx_reset_cache_and_container()

subroutine, public hfx_compression_methods::hfx_reset_cache_and_container	(	type(hfx_cache_type)	cache,
		type(hfx_container_type)	container,
		integer	memory_usage,
		logical	do_disk_storage )

• This routine resets the containers list pointer to the first element and moves the element counters of container and cache to the beginning

Parameters

cache	cache from which we get the value
container	container that contains the compressed elements
memory_usage	...
do_disk_storage	...

History

10.2007 created [Manuel Guidon]

Author

Manuel Guidon

Definition at line 392 of file hfx_compression_methods.F.

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hfx_decompress_first_cache()

subroutine, public hfx_compression_methods::hfx_decompress_first_cache	(	integer	nbits,
		type(hfx_cache_type)	cache,
		type(hfx_container_type)	container,
		integer	memory_usage,
		logical	use_disk_storage )

• This routine decompresses the first bunch of data in a container and copies them into a cache

Parameters

nbits	number of bits with which the data has been stored
cache	array where we want to decompress the data
container	container that contains the compressed elements
memory_usage	...
use_disk_storage	...

History

10.2007 created [Manuel Guidon]

Author

Manuel Guidon

Definition at line 423 of file hfx_compression_methods.F.

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hfx_flush_last_cache()

subroutine, public hfx_compression_methods::hfx_flush_last_cache	(	integer	nbits,
		type(hfx_cache_type)	cache,
		type(hfx_container_type)	container,
		integer	memory_usage,
		logical	use_disk_storage )

• This routine compresses the last probably not yet compressed cache into a container

Parameters

nbits	number of bits with which the data has been stored
cache	array where we want to decompress the data
container	container that contains the compressed elements
memory_usage	...
use_disk_storage	...

History

10.2007 created [Manuel Guidon]

Author

Manuel Guidon

Definition at line 446 of file hfx_compression_methods.F.

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hfx_add_mult_cache_elements()

subroutine, public hfx_compression_methods::hfx_add_mult_cache_elements	(	real(dp), dimension(*)	values,
		integer, intent(in)	nints,
		integer, intent(in)	nbits,
		type(hfx_cache_type)	cache,
		type(hfx_container_type)	container,
		real(dp), intent(in)	eps_schwarz,
		real(dp), intent(in)	pmax_entry,
		integer	memory_usage,
		logical	use_disk_storage )

• This routine adds an a few real values to a cache. If the cache is full a compression routine is invoked and the cache is cleared

Parameters

values	values to be added to the cache
nints	...
nbits	number of bits to be stored
cache	cache to which we want to add
container	container that contains the compressed elements
eps_schwarz	...
pmax_entry	...
memory_usage	...
use_disk_storage	...

History

10.2007 created [Manuel Guidon]

Author

Manuel Guidon

Definition at line 481 of file hfx_compression_methods.F.

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hfx_get_mult_cache_elements()

subroutine, public hfx_compression_methods::hfx_get_mult_cache_elements	(	real(dp), dimension(*)	values,
		integer, intent(in)	nints,
		integer, intent(in)	nbits,
		type(hfx_cache_type)	cache,
		type(hfx_container_type)	container,
		real(dp), intent(in)	eps_schwarz,
		real(dp), intent(in)	pmax_entry,
		integer	memory_usage,
		logical	use_disk_storage )

• This routine returns a bunch real values from a cache. If the cache is empty a decompression routine is invoked and the cache is refilled with decompressed values from a container

Parameters

values	value to be retained from the cache
nints	number of values to be retained
nbits	number of bits with which the value has been compressed
cache	cache from which we get the value
container	container that contains the compressed elements
eps_schwarz	threshold for storage
pmax_entry	multiplication factor for values
memory_usage	...
use_disk_storage	...

History

10.2007 created [Manuel Guidon]

Author

Manuel Guidon

Definition at line 561 of file hfx_compression_methods.F.

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hfx_add_mult_real_elements()

subroutine, public hfx_compression_methods::hfx_add_mult_real_elements	(	real(dp), dimension(*)	values,
		integer, intent(in)	nints,
		type(hfx_real_cache_type)	cache,
		type(hfx_container_type)	container,
		real(dp), intent(in)	eps,
		integer	memory_usage,
		logical	use_disk_storage )

Adds real values to a cache (at most a cache full); a full cache is packed into the container, then the cache takes the remaining values.

Parameters

values	values to be added
nints	number of values (at most CACHE_SIZE)
cache	cache to which the values are added
container	container that contains the compressed values
eps	absolute error of a value
memory_usage	...
use_disk_storage	...

Definition at line 706 of file hfx_compression_methods.F.

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hfx_get_mult_real_elements()

subroutine, public hfx_compression_methods::hfx_get_mult_real_elements	(	real(dp), dimension(*)	values,
		integer, intent(in)	nints,
		type(hfx_real_cache_type)	cache,
		type(hfx_container_type)	container,
		real(dp), intent(in)	eps,
		integer	memory_usage,
		logical	use_disk_storage )

Gets real values from a cache (at most a cache full); an exhausted cache is refilled from the next record of the container.

Parameters

values	values to be retained from the cache
nints	number of values (at most CACHE_SIZE)
cache	cache from which the values are taken
container	container that contains the compressed values
eps	absolute error of a value (as when packed)
memory_usage	...
use_disk_storage	...

Definition at line 743 of file hfx_compression_methods.F.

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hfx_flush_last_real_cache()

subroutine, public hfx_compression_methods::hfx_flush_last_real_cache	(	type(hfx_real_cache_type)	cache,
		type(hfx_container_type)	container,
		real(dp), intent(in)	eps,
		integer	memory_usage,
		logical	use_disk_storage )

Packs the last cache of real values (unused values as zeros) into the container.

Parameters

cache	cache to be packed
container	container that contains the compressed values
eps	absolute error of a value
memory_usage	...
use_disk_storage	...

Definition at line 777 of file hfx_compression_methods.F.

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hfx_decompress_first_real_cache()

subroutine, public hfx_compression_methods::hfx_decompress_first_real_cache	(	type(hfx_real_cache_type)	cache,
		type(hfx_container_type)	container,
		real(dp), intent(in)	eps,
		integer	memory_usage,
		logical	use_disk_storage )

Fills a cache of real values with the first record of a container.

Parameters

cache	cache to be filled
container	container that contains the compressed values
eps	absolute error of a value (as when packed)
memory_usage	...
use_disk_storage	...

Definition at line 803 of file hfx_compression_methods.F.

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hfx_reset_real_cache_and_container()

subroutine, public hfx_compression_methods::hfx_reset_real_cache_and_container	(	type(hfx_real_cache_type)	cache,
		type(hfx_container_type)	container,
		integer	memory_usage,
		logical	do_disk_storage )

Moves a cache of real values and its container back to the beginning (as hfx_reset_cache_and_container).

Parameters

cache	cache of real values
container	container that contains the compressed values
memory_usage	...
do_disk_storage	...

Definition at line 822 of file hfx_compression_methods.F.

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