# GLOBAL_OPT

Section to control global geometry optimizations. [Edit on GitHub]

Subsections

- HISTORY
- MINIMA_CRAWLING
- MINIMA_HOPPING
- PROGRESS_TRAJECTORY

## Keywords

- BUMP_STEPS_DOWNWARDS

- BUMP_STEPS_UPWARDS

- E_TARGET

- FRAGMENTATION_THRESHOLD

- MD_BUMPS_MAX

- METHOD

## Keyword descriptions

BUMP_STEPS_DOWNWARDS: integer = 2

  Number of MD steps with potential energy decreases required for a bump. [Edit on GitHub]

BUMP_STEPS_UPWARDS: integer = 2

  Number of MD steps with potential energy increases required for a bump. [Edit on GitHub]

E_TARGET: real = -1.79769313E+308 [hartree]

  Target Energy, the optimization will quit once a lower potential energy is reached. [Edit on GitHub]

FRAGMENTATION_THRESHOLD: real = 1.05835442E+000 [angstrom]

  Threshold for atom distance used for detecting fragmentation of clusters. [Edit on GitHub]

MD_BUMPS_MAX: integer = 3

  Number of bumps in potential energy after which MD runs ends. [Edit on GitHub]

METHOD: enum = MINIMA_HOPPING

  Valid values:

  - `MINIMA_HOPPING` Runs Minima-Hopping algorithm.

  - `MINIMA_CRAWLING` Runs Minima-Crawling algorithm.

  Methods to use for optimization. [Edit on GitHub]