About OpenThermo
OpenThermo is a program package for statistical thermodynamics computations beyond rigid rotor - harmonic oscillator approximation Features Evaluation of thermodynamic properties from molecular data Automatic symmetry
OpenThermo is a program package for statistical thermodynamics computations beyond rigid rotor - harmonic oscillator approximation
Features
- Evaluation of thermodynamic properties from molecular data
- Automatic symmetry analysis for molecule and internal rotors
- Verbose log file makes thermodynamic calculation more transparent
- Treatment of internal rotations in quantum or classic approaches
- Calculation of reduced inertial moments of balanced and non-balanced internal rotors
- Automatic Fourier interpolation of discreetly defined potential bariers
- Calculations with anharmonic correction
Previous Versions
Here you can find the changelog of OpenThermo since it was posted on our website on 2015-04-26 03:00:00.
The latest version is 1.0 and it was updated on 2024-04-19 23:43:43. See below the changes in each version.
OpenThermo version OpenThermo-1.0.0b1
Updated At: 2009-08-15
OpenThermo version OpenThermo-1.0.0b1
Updated At: 2009-08-15
Changes: Several fixes and updates
Disclaimer
External Download
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