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 More...

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 More...

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 More...

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 More...

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 More...

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 More...

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 More...

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 70 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 167 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 250 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 281 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 304 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 339 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 419 of file hfx_compression_methods.F.

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Functions/Subroutines

Detailed Description

Function/Subroutine Documentation

◆ hfx_add_single_cache_element()

◆ hfx_get_single_cache_element()

◆ hfx_reset_cache_and_container()

◆ hfx_decompress_first_cache()

◆ hfx_flush_last_cache()

◆ hfx_add_mult_cache_elements()

◆ hfx_get_mult_cache_elements()