(git:3add494)
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History of minima, calculates, stores and compares fingerprints of minima. Used by Minima Hopping and Minima Crawling. More...
Functions/Subroutines | |
subroutine, public | history_init (history, history_section, iw) |
Initializes a history. More... | |
type(history_fingerprint_type) function, public | history_fingerprint (Epot, pos) |
Calculates a fingerprint for a given configuration. More... | |
logical function, public | history_fingerprint_match (history, fp1, fp2) |
Checks if two given fingerprints match. More... | |
subroutine, public | history_add (history, fingerprint, id) |
Addes a new fingerprints to the history. Optionally, an abitrary id can be stored alongside the fingerprint. More... | |
subroutine, public | history_lookup (history, fingerprint, found, id) |
Checks if a given fingerprints is contained in the history. More... | |
subroutine, public | history_finalize (history) |
Finalizes a history. More... | |
History of minima, calculates, stores and compares fingerprints of minima. Used by Minima Hopping and Minima Crawling.
subroutine, public glbopt_history::history_init | ( | type(history_type), intent(inout) | history, |
type(section_vals_type), pointer | history_section, | ||
integer | iw | ||
) |
Initializes a history.
history | ... |
history_section | ... |
iw | ... |
Definition at line 59 of file glbopt_history.F.
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.
Epot | ... |
pos | ... |
Definition at line 86 of file glbopt_history.F.
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.
history | ... |
fp1 | ... |
fp2 | ... |
Definition at line 153 of file glbopt_history.F.
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.
history | ... |
fingerprint | ... |
id | ... |
Definition at line 186 of file glbopt_history.F.
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.
history | ... |
fingerprint | ... |
found | ... |
id | ... |
Definition at line 243 of file glbopt_history.F.
subroutine, public glbopt_history::history_finalize | ( | type(history_type) | history | ) |
Finalizes a history.
history | ... |
Definition at line 372 of file glbopt_history.F.