OpenThermo for LinuxOpenThermo is a program that statistical thermodynamics computations made easy. | |
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OpenThermo for Linux Ranking & Summary
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- License:
- GPL
- Publisher Name:
- Konstantin Tokarev
- Publisher web site:
- Operating Systems:
- Linux
- File Size:
- 194KB
OpenThermo for Linux Tags
OpenThermo for Linux Description
EditBy OpenThermo is a program package for statistical thermodynamics computations beyond rigid rotor harmonic oscillator approximation (RRHOA). Such calculations often require individual approach for every molecule, and their difficulty rapidly increase with taking more factors into consideration. OpenThermo provides the user with the set of tools for processing different molecular data to the thermodynamic functions. In contrast to statistical subprograms integrated to QC packages, OpenThermo is designed to make the calculation transparent to user and give maximum control under the choice of used theories and approximations. OpenThermo is the first program package intended solely for statistical thermodynamics computations, available for public.
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