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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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Should we make a docker image of `qha`? #54

Open singularitti opened 6 years ago

singularitti commented 6 years ago

As mentioned in #52,

Some of the components, such as the plotter or the converter, should be a part of QHA, doesn't have to depend on QHA. Depending on QHA limits their use cases since QHA is not available to be installed everywhere (such as on Habanero or other places where bigfloat could not be installed or Python is not of version 3.6).

Will it be easier for people who use qha on supercomputers because they are the target users of qha?