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Getting Started
Options
Convergence
Molecules

Getting Started
Options
Convergence
Molecules
API
Coordinates
Build and Testing

API
Algorithms
LineSearchStep

LineSearchStep#

class optking.linesearch.LineSearchStep(geom, energy, forces, distance, next_pt_dist)[source]#

Bases: Step

Extension of history.Step

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LineSearch

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LineSearchStep

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