HISTORY

Section controlling the history of visited minima and how minima are recognized at a later point. [Edit on GitHub]

Keywords

ENERGY_PRECISION
FINGERPRINT_PRECISION

Keyword descriptions

ENERGY_PRECISION: real = 1.00000000E-005 : If the difference of two energies is below this threshold they are considert equal. [Edit on GitHub]

FINGERPRINT_PRECISION: real = 1.00000000E-002 : If the euclidean distance of two fingerprints is below this threshold, they are considert equal. [Edit on GitHub]