glbopt_history Module Reference

History of minima, calculates, stores and compares fingerprints of minima. Used by Minima Hopping and Minima Crawling. More...

Data Types
type	history_fingerprint_type
type	history_type

Functions/Subroutines
subroutine, public	history_init (history, history_section, iw)
	Initializes a history.
type(history_fingerprint_type) function, public	history_fingerprint (epot, pos)
	Calculates a fingerprint for a given configuration.
logical function, public	history_fingerprint_match (history, fp1, fp2)
	Checks if two given fingerprints match.
subroutine, public	history_add (history, fingerprint, id)
	Addes a new fingerprints to the history. Optionally, an abitrary id can be stored alongside the fingerprint.
subroutine, public	history_lookup (history, fingerprint, found, id)
	Checks if a given fingerprints is contained in the history.
subroutine, public	history_finalize (history)
	Finalizes a history.

Variables
logical, parameter	debug = .FALSE.

Detailed Description

History of minima, calculates, stores and compares fingerprints of minima. Used by Minima Hopping and Minima Crawling.

Author

Ole Schuett

Function/Subroutine Documentation

history_init()

subroutine, public glbopt_history::history_init	(	type(history_type), intent(inout)	history,
		type(section_vals_type), pointer	history_section,
		integer	iw
	)

Initializes a history.

Parameters

history	...
history_section	...
iw	...

Author

Ole Schuett

Definition at line 59 of file glbopt_history.F.

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history_fingerprint()

type(history_fingerprint_type) function, public glbopt_history::history_fingerprint	(	real(kind=dp), intent(in)	epot,
		real(kind=dp), dimension(:), intent(in)	pos
	)

Calculates a fingerprint for a given configuration.

Parameters

Epot	...
pos	...

Returns

...

Author

Ole Schuett

Definition at line 86 of file glbopt_history.F.

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history_fingerprint_match()

logical function, public glbopt_history::history_fingerprint_match	(	type(history_type), intent(in)	history,
		type(history_fingerprint_type), intent(in)	fp1,
		type(history_fingerprint_type), intent(in)	fp2
	)

Checks if two given fingerprints match.

Parameters

history	...
fp1	...
fp2	...

Returns

...

Author

Ole Schuett

Definition at line 153 of file glbopt_history.F.

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history_add()

subroutine, public glbopt_history::history_add	(	type(history_type), intent(inout)	history,
		type(history_fingerprint_type), intent(in)	fingerprint,
		integer, intent(in), optional	id
	)

Addes a new fingerprints to the history. Optionally, an abitrary id can be stored alongside the fingerprint.

Parameters

history	...
fingerprint	...
id	...

Author

Ole Schuett

Definition at line 186 of file glbopt_history.F.

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history_lookup()

subroutine, public glbopt_history::history_lookup	(	type(history_type), intent(in)	history,
		type(history_fingerprint_type), intent(in)	fingerprint,
		logical, intent(out)	found,
		integer, intent(out), optional	id
	)

Checks if a given fingerprints is contained in the history.

Parameters

history	...
fingerprint	...
found	...
id	...

Author

Ole Schuett

Definition at line 243 of file glbopt_history.F.

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history_finalize()

subroutine, public glbopt_history::history_finalize

(

type(history_type)

history

)

Finalizes a history.

Parameters

history

...

Author

Ole Schuett

Definition at line 372 of file glbopt_history.F.

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Variable Documentation

debug

logical, parameter glbopt_history::debug = .FALSE.

Definition at line 48 of file glbopt_history.F.