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

Project Samples

OpenThermo Screenshot 1

Project Activity

See All Activity >

Categories

Chemistry, Physics, Education

License

GNU General Public License version 3.0 (GPLv3)

Follow OpenThermo

OpenThermo Web Site

Other Useful Business Software
Go from Data Warehouse to Data and AI platform with BigQuery Icon
Go from Data Warehouse to Data and AI platform with BigQuery

Build, train, and run ML models with simple SQL. Automate data prep, analysis, and predictions with built-in AI assistance from Gemini.

BigQuery is more than a data warehouse—it's an autonomous data-to-AI platform. Use familiar SQL to train ML models, run time-series forecasts, and generate AI-powered insights with native Gemini integration. Built-in agents handle data engineering and data science workflows automatically. Get $300 in free credit, query 1 TB, and store 10 GB free monthly.
Try BigQuery Free
Rate This Project
Login To Rate This Project

User Reviews

Be the first to post a review of OpenThermo!

Additional Project Details

Operating Systems

BSD, Linux, Mac, Windows

Intended Audience

Education, End Users/Desktop, Science/Research

User Interface

Command-line, Console/Terminal

Programming Language

C++

Related Categories

C++ Chemistry Software, C++ Physics Software, C++ Education Software

Registered

2008-05-21
Report inappropriate content