Phonon anharmonicity analysis from molecular dynamics
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Updated
Jul 23, 2024 - Python
Phonon anharmonicity analysis from molecular dynamics
Calculate thermodynamic properties of matter using phonon gas model (PGM)
Python package for computing thermochemical properties of molecules and solids in the anharmonic approximation.
A suite of programs for molecular vibrational analyses
Local anharmonic molecular dynamics (MD). A script written in C that performs MD using the Local Anharmonic approximation.
APE - Automated Property Estimator
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