LINE_SEARCH

Provides parameters to tune the line search during the conjugate gradient optimization [Edit on GitHub]

Subsections

• 2PNT
• GOLD

Keywords

• TYPE

Keyword descriptions

TYPE: enum = GOLD

Usage: TYPE GOLD

Valid values:

• 2PNT extrapolate based on 2 points

• GOLD perform 1D golden section search of the minimum (very expensive)

• FIT perform 1D fit of a parabola on several evaluation of energy (very expensive and more robust vs numerical noise)

Mentions: ⭐Geometry and cell optimization

1D line search algorithm to be used with the CG optimizer, in increasing order of robustness and cost. [Edit on GitHub]