Projects in Awesome Lists tagged with anharmonicity
A curated list of projects in awesome lists tagged with anharmonicity .
https://github.com/abelcarreras/dynaphopy
Phonon anharmonicity analysis from molecular dynamics
anharmonicity lammps molecular-dynamics phonon phonopy vasp
Last synced: 06 Apr 2025
https://github.com/mineralscloud/pgm
Calculate thermodynamic properties of matter using phonon gas model (PGM)
ab-initio anharmonicity python scientific-computing solid-state-physics
Last synced: 28 Apr 2025
https://github.com/lmmentel/panthera
Python package for computing thermochemical properties of molecules and solids in the anharmonic approximation.
anharmonicity chemistry enthalpy entropy molecules python solid-state-chemistry thermochemistry vibrations
Last synced: 12 May 2025
https://github.com/shihchengli/ape
APE - Automated Property Estimator
anharmonicity computational-chemistry python qchem quantum-chemistry
Last synced: 24 Aug 2025
