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
pyoptking
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prepare_opt_output
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prepare_opt_output
optking.optimize.
prepare_opt_output
(
o_molsys
,
computer
,
rxnpath
=
False
,
error
=
None
)
[source]
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