Open Anharmonic
v0.4rc1
User’s Guide
Usage & Examples
Theory
API
Notational and Algebraic Conventions
Supported Software Packages
Dependencies
Units of Measure
References
Open Anharmonic
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Open Anharmonic User’s Guide
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Open Anharmonic User’s Guide
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Eventually there will be an introduction to the User’s Guide here...
Contents:
Usage & Examples
const
error
grad
hess
output
utils
vpt2
xyz
Theory
Vector Operations
Symmetry Operations
Inertial Properties
Harmonic Vibrational Frequencies
VPT2 Anharmonic Frequencies
Centrifugal Distortion
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