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Is MurnaghanDFT really necessary? #166

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pmrv opened this issue Apr 22, 2021 · 1 comment · Fixed by #170
Closed

Is MurnaghanDFT really necessary? #166

pmrv opened this issue Apr 22, 2021 · 1 comment · Fixed by #170
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help wanted Extra attention is needed question Further information is requested

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@pmrv
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pmrv commented Apr 22, 2021

A question for the DFT people: Is the murnaghan class for DFT really necessary?

https://github.com/pyiron/pyiron_atomistics/blob/master/pyiron_atomistics/dft/master/murnaghan_dft.py

From what I see, this just delegates some options to the reference job, that could be set there directly. If no one complains I will kick it out or at least deprecate it.
@pmrv pmrv added help wanted Extra attention is needed question Further information is requested labels Apr 22, 2021
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pmrv commented Apr 23, 2021

From discussion: deprecate and remove in the future.

@pmrv pmrv mentioned this issue Apr 23, 2021
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@pmrv pmrv closed this as completed in #170 Apr 27, 2021
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Deprecate MurnaghanDFT pyiron/pyiron_atomistics
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