pyoptking
latest
Contents:
Getting Started
Convergence
Optimization Algorithms
API Documentation
optking.stepAlgorithms Module
optking.linesearch Module
optking.IRCfollowing Module
Functions
irc_de_projected
step_n_factor
Classes
Class Inheritance Diagram
The Molecular System
General Recommendations
Adding Constraints to the Optimization
Multifragment Optimizations
Keywords and Options
pyoptking
»
Optimization Algorithms
»
irc_de_projected
Edit on GitHub
irc_de_projected
optking.IRCfollowing.
irc_de_projected
(
step_size
,
grad
,
hess
)
[source]
Compute anticipated energy change along one dimension
Read the Docs
v: latest
Versions
latest
stable
docs-build
Downloads
On Read the Docs
Project Home
Builds