pyoptking
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Contents:
Getting Started
Convergence
Optimization Algorithms
The Molecular System
General Recommendations
Adding Constraints to the Optimization
Multifragment Optimizations
Keywords and Options
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optimization_factory
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optimization_factory
optking.optimize.
optimization_factory
(
method
,
molsys
,
history_object
,
params
=
None
)
[source]
create optimization algorithms. method may be redundant however params is allowed
to be none so method is required explicitly
Return type
OptimizationAlgorithm
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