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
Overview: module code
All modules for which code is available
optking.IRCfollowing
optking.bend
optking.dimerfrag
optking.frag
optking.linesearch
optking.molsys
optking.opt_helper
optking.optimize
optking.optparams
optking.stepAlgorithms
optking.stre
optking.tors
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