pyoptking
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Contents:
Getting Started
Convergence
Optimization Algorithms
API Documentation
optking.stepAlgorithms Module
optking.linesearch Module
Classes
LineSearch
LineSearchStep
ThreePointEnergy
Class Inheritance Diagram
optking.IRCfollowing Module
The Molecular System
General Recommendations
Adding Constraints to the Optimization
Multifragment Optimizations
Keywords and Options
pyoptking
»
Optimization Algorithms
»
LineSearchStep
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LineSearchStep
class
optking.linesearch.
LineSearchStep
(
geom
,
energy
,
forces
,
distance
,
next_pt_dist
)
[source]
Bases:
Step
Extension of history.Step
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