qha

A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations (by MineralsCloud)

Qha Alternatives

Similar projects and alternatives to qha

NOTE: The number of mentions on this list indicates mentions on common posts plus user suggested alternatives. Hence, a higher number means a better qha alternative or higher similarity.

qha reviews and mentions

Posts with mentions or reviews of qha. We have used some of these posts to build our list of alternatives and similar projects. The last one was on 2022-12-27.
  • Numba: A High Performance Python Compiler
    11 projects | news.ycombinator.com | 27 Dec 2022
    Software from our group (cij[1], qha[2]) were developed when numba seems to be the best option for JIT. It generates more pain in the hindsight. It generates a lot of depreciated warning due to unstable API, locked numpy to a certain version (i remember 1.21) due to compatibility issues, and when M1 Mac comes out, there were for a long time lack of llvmlite porting to the new platform, so cannot run on these new Macs.

    If I had to do it again I would just use plain numpy or use the JAX from Google if JIT is really necessary.

    [1]: https://github.com/MineralsCloud/cij

    [2]: https://github.com/MineralsCloud/qha

Stats

Basic qha repo stats
1
28
8.3
3 months ago

MineralsCloud/qha is an open source project licensed under GNU General Public License v3.0 only which is an OSI approved license.

The primary programming language of qha is Python.


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