MineralsCloud / Express.jl

Express: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science community
https://mineralscloud.github.io/Express.jl/
GNU General Public License v3.0
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Implement module `Phonon` for phonon calculation #15

Closed singularitti closed 5 years ago

singularitti commented 5 years ago

The first try of a phonon calculation framework.

No.

singularitti commented 5 years ago

I am waiting for parse(PHononInput, read(io, String)) and parse(Q2RInput, read(io, String)) to be implemented. They should be simple. Please refer Base.parse(::Type{PWscfInput}, str::AbstractString). @searchengineorientprogramming