MineralsCloud / qha

A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations
https://mineralscloud.github.io/qha/
GNU General Public License v3.0
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A refactor of `multi_configurations` subpackage #35

Closed singularitti closed 6 years ago

singularitti commented 6 years ago

Including API names change, documentation addition. This is actually a refactor of the previous code.